Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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33407 Publications

The Relevance of the Signal Integrator Lamellipodin for the Radiation Resistance and Invasiveness of Glioblastoma Cells

Moritz, S.; Cordes, N.; Krause, M.; Vehlow, A.
Fragestellung: Die Prognose von Patienten mit einem Glioblastom (GBM) ist trotz eines multimodalen Therapieansatzes schlecht, weshalb die zugrunde liegenden molekularen Resistenzmechanismen besser aufgeklärt werden müssen. Interaktionen von GBM-Zellen mit zellulären und nicht-zellulären Faktoren im Tumormikromilieu tragen dabei entscheidend zu Invasion und Therapieresistenz von GBM-Zellen bei. Die Kommunikation zwischen Zellen und dem Tumormikromilieu wird unter anderem vom Signaladapterprotein Lamellipodin (Lpd), dessen Funktion in GBM-Zellen unklar ist, vermittelt. In der vorliegenden Studie evaluieren wir die Rolle von Lpd für die GBM Invasion und Radioresistenz und charakterisieren den basierenden molekularen Mechanismus.
Methodik: Lpd Expression und Phosphorylierungsstatus (Y426, Y1226) wurden in acht GBM-Zelllinien vor und zu verschiedenen Zeitpunkten (0,5 24 h) nach Bestrahlung mit 6 Gy mittels Western Blot Analysen evaluiert. Die Quantifizierung der dreidimensionalen Kollagen Typ-1-abhängigen Invasion, des klonogenen Überlebens (2, 4, 6 Gy) und residualer DNA-Doppelstrangbrüche (6 Gy) erfolgte nach siRNA-vermittelten Lpd Knockdown. Direkte Lpd Interaktionspartner wurden mit Massenspektrometrie von Lpd Immunpräzipitaten nach Röntgenbestrahlung bestimmt und durch Datenbankanalysen ausgewertet (Reactome, Gene Ontology).
Ergebnis: Western Blot Analysen ergaben eine Zelllinien-abhängige basale Lpd Expression und Phosphorylierung. Eine Bestrahlung mit 6 Gy Röntgen führte zu einem Anstieg in der Lpd Phosphorylierung Y1226 nach 1 h bis 24 h, wohingegen die Lpd Expression unverändert blieb. Lpd Knockdown reduzierte in allen getesteten GBM Zelllinien die Invasionskapazität und führte zu einer signifikanten Strahlensensibilisierung in vier von acht GBM-Zelllinien. Dieser Effekt ging mit einer erhöhten Anzahl von γH2AX/53BP1-positiven residualen DNA-Doppelstrangbrüchen nach Lpd Depletion und Bestrahlung in den responsiven Zelllinien einher. Die massenspektrometrische Analyse der Lpd Immunpräzipitate ergab 56 potentielle Lpd Interaktionspartner, welche in den vesikulären Transport, Metabolismus und Signaltransduktion involviert sind.
Schlussfolgerung: Die Ergebnisse verdeutlichen eine zentrale Funktion von Lpd bei der Invasion und Radioresistenz von Glioblastomen. Nachfolgende Untersuchungen konzentrieren sich auf die Charakterisierung des zugrunde liegenden molekularen Signalweges.
  • Abstract in refereed journal
    Strahlentherapie und Onkologie 195(2019), S166-S166

Permalink: https://www.hzdr.de/publications/Publ-29358
Publ.-Id: 29358


Tetranuclear Cu(II)-chiral complexes: Synthesis, characterization and biological activity

Peewasan, K.; Merkel, M. P.; Zarschler, K.; Stephan, H.; Anson, C. E.; Powell, A. K.
Tetranuclear chiral Cu(II)-Schiff-base complexes S-1 and R-1, were synthesised using enantiomerically pure (S)-H2L and (R)-H2L ligand respectively in the ratio of 1:1 of Cu(NO3)2 to (S/R)-H2L in MeOH at room temperature. A pair of polynuclear chiral Cu(II)-cluster complexes were characterized using single-crystal X-ray diffraction, elemental analysis, infrared and CD spectroscopy. The results revealed the importance of these chiral ligands encouraging the arrangement of copper metal in non-centrosymmetric polar packing. The potential of the novel Cu(II)-H2L complexes as biologically active compounds was assessed in particular regarding their anti-proliferative and anti-microbial properties.
Keywords: Metal-based drugs; Polynuclear Cu(II)-cluster; Enantiomerically pure Schiff-base ligand; Cell viability; Single-crystal X-ray diffraction

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Permalink: https://www.hzdr.de/publications/Publ-29357
Publ.-Id: 29357


Bakterien als Alleskönner

Lederer, F.ORC
Bakterien sind Lebewesen, die unser tägliches Leben ganz entscheidend prägen. Ob Käse, Sauerkraut oder Wein - viele Delikatessen werden für uns durch diese kleinen Alleskönner produziert. Obwohl Bakterien häufig als Krankheitserreger verschrien sind, sind viele von ihnen wichtige Unterstützer unserer Gesundheit - was wir oft erst dann merken, wenn sie weg sind. Eine gesunde Darmflora aus Millionen von Bakterien ist entscheidend für die Produktion und Aufnahme vieler Vitamine in unserem Körper und für unser körperliches Wohlbefinden.
Auch in der Forschung werden Bakterien mit ihren vielen Eigenschaften gerne eingesetzt. Am Helmholtz-Zentrum Dresden-Rossendorf studiert man unter anderem ihre Fähigkeiten, sich fehlende Metalle aus der Umgebung zu besorgen und nutzt diese mikrobiellen Komplexbildner zur Rohstoffrückgewinnung aus Industrieabwässern.
Der Vortrag wird Bakterien als Alleskönner aus verschiednen Perspektiven beleuchten.
Keywords: Bakterien
  • Lecture (others)
    Seniorenakademie, 11.4.2019, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29356
Publ.-Id: 29356


Gezieltes selektives Herauslösen von Substanzen aus Roh- und Reststoffen mit biologisch basierten Aufbereitungstechnologien

Lederer, F.
Gast-Vorlesung an der BTU Cottbus-Senftenberg in der Fakultät Umweltwissenschaften und Verfahrenstechnik im Modul "Stoffliche Nutzung nachwachsender Rohstoffe"
Keywords: Mikrobiologie, Phage Surface Display
  • Lecture (others)
    Vorlesung im Modul "Stoffliche Nutzung nachwachsender Rohstoffe", 17.01.2019, Cottbus, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29355
Publ.-Id: 29355


Ultrafast X-ray tomography raw-data of bubbly two-phase pipe flow around a ring-shaped constriction

Neumann-Kipping, M.ORC; Hampel, U.ORC

For the investigation of bubbly two-phase flow, which should serve as a future benchmark experiment for CFD code validation, an experimental study has been conducted at the Transient Two-Phase Flow (TOPFLOW) facility at Helmholtz-Zentrum Dresden – Rossendorf (HZDR) using ultrafast electron beam X-ray tomography (UFXRAY). In this study, flow constrictions were installed into a pipe to create a generic three-dimensional flow field as an advanced test case for CFD codes. UFXRAY provide valueable data of the gas phase dynamics with high temporal and spatial resolution.

The provided data set contains tomography raw-data for the experimental series L30 that uses a ring shaped flow constriction with a blockage ratio of 0.5. 

For visualization, the data might be opend with Fiji. Therefore choose Import->Raw... In the following window specify "Image type" as 16-bit Unsigned, "Width" as 288 pixels and "Height" as 500 pixels for 2x1000Hz measurement or 200 pixels for 2x2500Hz measurement. Make sure that "Little-endian byte order" is checked. A data set contains image frames of both scanning planes in alternating order. Therefore, if only a single scanning plane is required, the offset and gap parameters need to be set to 288000 bytes for 2x1000Hz measurement or 115200 bytes for 2x2500Hz measurement.

Keywords: ultrafast X-ray computed tomography; bubbly two-phase flow; three-dimensional flow field; two-phase pipe flow
Related publications
Hydrodynamic experimental benchmark data of bubbly … (Id 29887) is part of this publication
Hydrodynamic experimental benchmark data of bubbly … (Id 29886) is supplemented by this publication
Ultrafast X-ray tomography image data of bubbly two-phase … (Id 29885) is part of this publication
Ultrafast X-ray tomography image data of bubbly two-phase … (Id 29882) is supplemented by this publication
Ultrafast X-ray tomography raw-data of bubbly two-phase … (Id 29353) has this publication as part
  • Reseach data in the HZDR data repository RODARE
    Publication date: 2019-06-18
    DOI: 10.14278/rodare.124
    License: CC-BY-NC-4.0
    Embargo: 30.06.2020

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Permalink: https://www.hzdr.de/publications/Publ-29354
Publ.-Id: 29354


Ultrafast X-ray tomography raw-data of bubbly two-phase pipe flow around a semi-circular constriction

Neumann-Kipping, M.ORC; Hampel, U.ORC

For the investigation of bubbly two-phase flow, which should serve as a future benchmark experiment for CFD code validation, an experimental study has been conducted at the Transient Two-Phase Flow (TOPFLOW) facility at Helmholtz-Zentrum Dresden – Rossendorf (HZDR) using ultrafast electron beam X-ray tomography (UFXRAY). In this study, flow constrictions were installed into a pipe to create a generic three-dimensional flow field as an advanced test case for CFD codes. UFXRAY provide valueable data of the gas phase dynamics with high temporal and spatial resolution.

The provided data set contains tomography raw-data for the experimental series L30 that uses a semi-circular flow constriction with a blockage ratio of 0.5. 

For visualization, the data might be opend with Fiji. Therefore choose Import->Raw... In the following window specify "Image type" as 16-bit Unsigned, "Width" as 288 pixels and "Height" as 500 pixels for 2x1000Hz measurement or 200 pixels for 2x2500Hz measurement. Make sure that "Little-endian byte order" is checked. A data set contains image frames of both scanning planes in alternating order. Therefore, if only a single scanning plane is required, the offset and gap parameters need to be set to 288000 bytes for 2x1000Hz measurement or 115200 bytes for 2x2500Hz measurement.

Keywords: ultrafast X-ray computed tomography; bubbly two-phase flow; three-dimensional flow field; two-phase pipe flow
Related publications
Hydrodynamic experimental benchmark data of bubbly … (Id 29887) is supplemented by this publication
Hydrodynamic experimental benchmark data of bubbly … (Id 29886) is part of this publication
Ultrafast X-ray tomography image data of bubbly two-phase … (Id 29885) is supplemented by this publication
Ultrafast X-ray tomography image data of bubbly two-phase … (Id 29882) is part of this publication
Ultrafast X-ray tomography raw-data of bubbly two-phase … (Id 29354) is part of this publication
  • Reseach data in the HZDR data repository RODARE
    Publication date: 2019-06-26
    DOI: 10.14278/rodare.122
    License: CC-BY-NC-4.0
    Embargo: 30.06.2020

Downloads:

Permalink: https://www.hzdr.de/publications/Publ-29353
Publ.-Id: 29353


Use of activated products as radiotracers for the development of environmental technologies

Jentsch, T.
Preserving the environment is essential for maintaining the quality of life on our planet. For this reason, efforts are being made in the world, and especially in Germany, to develop environmentally friendly and resource-saving production technologies.
This article uses two selected examples to show how activation products can be used as radiotracers for the development and optimization of such environmental technologies. The first example reports the use of Cu-64 and Zn-69 m for the investigation of heavy metal release during municipal solid waste incineration. The second one presents the use of Ar-41 for measuring the residence time distributions of gaseous phase in a reactor for the partial oxidation of hydrocarbon-containing fluids (gases, liquids, slurries) under high pressures.
Both examples show why only radionuclides obtained by neutron activation in a research reactor could solve the problems presented in this article.
Keywords: Cu-64, Zn-69m, Ar-41, radiotracer, environmental technologies, heavy metal release, municipal solid waste incineration, high pressure partial oxidation, industrial application of activation products
  • Open Access Logo Invited lecture (Conferences)
    15th International Conference on Modern Trends in Activation Analysis (MTAA-15), 17.-22.11.2019, Mumbai, India

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Permalink: https://www.hzdr.de/publications/Publ-29352
Publ.-Id: 29352


Scalable, Data Driven Plasma Simulations with PIConGPU

Huebl, A.ORC; Widera, R.ORC; Garten, M.ORC; Pausch, R.ORC; Steiniger, K.ORC; Bastrakov, S.ORC; Meyer, F.; Bastrakova, K.; Debus, A.ORC; Kluge, T.ORC; Ehrig, S.ORC; Werner, M.; Worpitz, B.; Matthes, A.ORC; Rudat, S.; Starke, S.ORC; Bussmann, M.ORC

PIConGPU is an open source, multi-platform particle-in-cell code scaling to the fastest supercomputers in the TOP500 list. We present the architecture, novel developments, and workflows that enable high-precision, fast turn-around computations on Exascale-machines. Furthermore, we present our strategies to handle extreme data flows from thousands of GPUs for analysis with in situ processing and open data formats (openPMD). PIConGPU is since recently furthermore natively controlled by a Python Jupyter interface and we research just-in-time kernel generation for C++ with our Cling-CUDA extensions.

Keywords: LPA; laser-plasma; particle-in-cell; HPC; manycore; GPU; simulation; interactive; big data
Related publications
Scalable, Data Driven Plasma Simulations with PIConGPU (Id 29350) is supplemented by this publication
  • Reseach data in the HZDR data repository RODARE
    Publication date: 2019-06-13
    DOI: 10.14278/rodare.130
    License: CC-BY-4.0

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Permalink: https://www.hzdr.de/publications/Publ-29351
Publ.-Id: 29351


Scalable, Data Driven Plasma Simulations with PIConGPU

Huebl, A.ORC; Widera, R.ORC; Garten, M.ORC; Pausch, R.ORC; Steiniger, K.ORC; Bastrakov, S.ORC; Meyer, F.; Bastrakova, K.; Debus, A.ORC; Kluge, T.ORC; Ehrig, S.ORC; Werner, M.; Worpitz, B.; Matthes, A.ORC; Rudat, S.; Starke, S.ORC; Bussmann, M.ORC
PIConGPU is an open source, multi-platform particle-in-cell code scaling to the fastest supercomputers in the TOP500 list. We present the architecture, novel developments, and workflows that enable high-precision, fast turn-around computations on Exascale-machines. Furthermore, we present our strategies to handle extreme data flows from thousands of GPUs for analysis with in situ processing and open data formats (openPMD). PIConGPU is since recently furthermore natively controlled by a Python Jupyter interface and we research just-in-time kernel generation for C++ with our Cling-CUDA extensions.
Keywords: LPA, laser-plasma, particle-in-cell, HPC, manycore, GPU, simulation, interactive, big data
Related publications
Scalable, Data Driven Plasma Simulations with PIConGPU (Id 29351) is a supplement to this publication
  • Invited lecture (Conferences)
    Platform for Advanced Scientific Computing (PASC) Conference (PASC19), 12.-14.06.2019, Zürich, Schweiz
    DOI: 10.14278/rodare.131

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Permalink: https://www.hzdr.de/publications/Publ-29350
Publ.-Id: 29350


AMS measurements of cosmogenic nuclide concentrations resolve mountain landscape evolution and the glacial history in the Pamir, Central Asia

Stübner, K.; Bookhagen, B.; Merchel, S.ORC; Rugel, G.; Lachner, J.
Secondary cosmic rays interact with terrestrial materials in the atmosphere and near the Earth's surface to produce cosmogenic radionuclides. The production and accumulation of cosmogenic ¹⁰Be and ²⁶Al in quartz allows geologists to investigate processes of landscape evolution such as erosion, landsliding, sediment transport and deposition on time scales of thousands to few millions of years. The Pamir mountains at the western end of the India-Asia collision zone have been in the focus of geologic research since the early 2000s. While the tectonic evolution of the Pamir is increasingly well understood, the drivers of Pamir landscape evolution remain elusive. The western Pamir is characterized by an extreme topographic relief with summit and valley elevations of 6-7 km and 2-3 km, respectively; the eastern Pamir is a low-relief plateau at ~4 km. This contrast may be attributed to higher precipitation in the western Pamir driving faster river incision and erosion compared to the arid east. Alternatively, the relief may be controlled by spatially variable, tectonically forced surface uplift. Field observations suggest that Pleistocene glaciation of the Pamir was much more extensive than modern glaciation, and that glaciation had a significant impact on the evolution of the Pamir landscape.

We use cosmogenic ¹⁰Be and ²⁶Al concentrations in moraine boulders, glacially polished bedrock and glacio-alluvial sediment deposits to determine the timing and extent of past glacial stages with the goal to better understand what controls landscape evolution in the Pamir. Our results indicate that early Holocene (~10 ka) glaciation was more extensive than previously thought, and that at that time the western Pamir was much more strongly glaciated than the east. The most widespread glaciation occurred at ≥200 ka covering most of the western Pamir and possibly also much of the east Pamir plateau. These results strengthen our hypothesis that the glacial history of the Pamir had a significant impact on its landscape evolution.
Keywords: AMS, tectonics, geomophology
  • Lecture (Conference)
    Heavy Ion Accelerator Symposium on Fundamental and Applied Science (HIAS), 09.-13.09.2019, Canberra, Australia

Permalink: https://www.hzdr.de/publications/Publ-29349
Publ.-Id: 29349


Mass transport induced asymmetry in charge/discharge behavior of liquid metal batteries

Personnettaz, P.; Landgraf, S.; Nimtz, M.; Weber, N.; Weier, T.
Mass and charge transport in liquid metal batteries are closely intertwined because of the fully liquid interior of the cells. We found that charging and discharging cycles may show pronounced asymmetries. They are caused by the presence (charge) or absence (discharge) of solutal convection. While the direction of thermal gradients in the positive electrode of a liquid metal battery depend on boundary conditions and thermodynamics in a non-trivial manner, the solutal gradient predictably changes direction from charge to discharge. The unstable density distribution during charge drives a flow strong enough to prevent any concentration polarization. In contrast, during discharge, the stable density gradient suppresses convection and leads to a substantial mass transport overvoltage. We illustrate this scenario by experimental data, numerical simulations and a physical model.
Keywords: electrorefining, liquid electrode, liquid metal batteries, mass transport, overvoltage, solutal convection

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Permalink: https://www.hzdr.de/publications/Publ-29348
Publ.-Id: 29348


Round Robin: Composition And Thickness of Nitride and Oxide Thin Films Grown by Atomic Layer Deposition

Julin, J.ORC; Sajavaara, T.ORC
A round robin characterization of the elemental composition and thickness of Al₂O₃ and TiN thin films using IBA methods was organized. The samples were grown by atomic layer deposition (ALD) on 200 mm Si wafers. The Al₂O₃ films with different thicknesses (10–100 nm) were deposited using Al(CH₃)₃ and water as precursors at low temperatures, known to produce films with high impurity concentrations and non-stoichiometric O/Al ratio. The TiN films, sandwiched between thinner ALD-Al₂O₃ films, were grown using TiCl₄ and NH₃ precursors. The samples were chosen to represent a typical thin film analysis problem with real-world applications.

The participating institutes were mainly using heavy ion elastic recoil detection analysis (HI-ERDA) as a single measurement technique capable of providing all the requested information. Rutherford backscattering spectrometry (RBS) and nuclear reaction analysis (NRA) were employed as multi-technique complementary analysis (so called Total-IBA) or to give partial results. In addition, X-ray photoelectron spectroscopy (XPS) and secondary ion mass spectrometry (SIMS) were employed as complementary techniques.

The main goal of this study was not to promote the HI-ERDA technique but to identify the possible weaknesses and limitations of different analysis techniques and approaches, and thereafter improve the accuracy and reliability of the results given by the ion beam analysis community. A special emphasis was put on transparency of the results obtained – all the raw measurement data are publicly available for e.g. comparison and educational use via open data portal.
  • Lecture (Conference)
    IBA2019 - 24th International conference on Ion Beam Analysis, 13.-18.10.2019, Antibes, France

Permalink: https://www.hzdr.de/publications/Publ-29347
Publ.-Id: 29347


Heavy ion irradiation damage in Zr2AlC MAX phase

Qarra, H. H.; Knowles, K. M.; Vickers, M. E.; Akhmadaliev, S.; Lambrinou, K.
Zr2AlC MAX phase-based ceramic material with 33 wt% ZrC has been irradiated with 22 MeV Au7+ ions between room temperature and 600 °C, achieving a maximum nominal midrange dose of 3.5 displacements per atom. The response of the material to irradiation has been studied using scanning electron microscopy, transmission electron microscopy and X-ray diffraction. Under room temperature irradiation, the ions caused a partial amorphisation of the MAX phase. At high temperatures, irradiated Zr2AlC remained crystalline, but developed an increased density of dislocations and stacking faults in the (0001) basal planes. The irradiated material also exhibited a temperature-dependent microcracking phenomenon similar to that previously reported in other MAX phase materials.

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Permalink: https://www.hzdr.de/publications/Publ-29346
Publ.-Id: 29346


Advanced characterization methods for electrical and sensoric components and devices at the micro and nanoscale

Sheremet, E.ORC; Meszmer, P.ORC; Blaudeck, T.ORC; Hartmann, S.; Wagner, C.ORC; Ma, B.; Hermann, S.; Wunderle, B.; Schulz, S. E.; Hietschold, M.; Rodriguez, R. D.; Zahn, D. R. T.
This feature article covers the nano-analysis methods for four key material characteristics: electrical and electronic properties, optical, stress and strain, and chemical composition. With the downsizing of the geometrical dimensions of electronic, optoelectronic, and electromechanical devices from the micro to the nanoscale at the one hand and the increase of functionality density at the other, the previous generation of micro-analysis methods is no longer sufficient. Therefore, the metrology of materials’ properties with nanoscale resolution has become prerequisite in materials research and development. The article shortly reviews the standard analysis methods and focuses on advanced methods with a nanoscale spatial resolution based on atomic force microscopy (AFM): current-sensing AFM (CSAFM), Kelvin probe force microscopy (KPFM), and hybrid optical techniques coupled with AFM including tip-enhanced Raman spectroscopy (TERS), photothermal-induced resonance (PTIR) characterization methods (nano-Vis, nano-IR), photo-induced force microscopy (PIFM) and photothermal microspectroscopy (PTMS). The simultaneous acquisition of multiple parameters (topography, charge and conductivity, stress and strain, chemical composition) at the nanoscale is a key for exploring new research on structure-property relationships of nanostructured materials such as carbon nanotubes (CNTs) and nano/microelectromechanical systems (N/MEMS). Advanced nanocharacterization techniques foster the design and development of new functional materials for flexible hybrid and smart applications.
Keywords: Scanning probe microscopy, Kelvin probe force microscopy, nanoanalysis, Raman spectroscopy, atomic force microscopy

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  • Secondary publication expected from 04.06.2020

Permalink: https://www.hzdr.de/publications/Publ-29345
Publ.-Id: 29345


RF Controls Towards Femtosecond and Attosecond Precision

Zenker, K.; Ludwig, F.; Branlard, J.; Butkowski, L.; Czwalinna, M. K.; Hoffmann, M.; Killenberg, M.; Lamb, T.; Mavric, U.; Mueller, J. M.; Pfeiffer, S.; Schlarb, H.; Schmidt, C.; Springer, L.; Kuntzsch, M.; Hierholzer, M.; Marjanovic, J.
In the past two decades, radio-frequency (RF) controls have improved by two orders in magnitude achieving meanwhile sub-10 fs phase stabilities and 0.01% amplitude precision. Advances are through improved field detection methods and extensive usage of digital signal processing on very powerful field programmable gate arrays (FPGAs). The question rises, what can be achieved in the next 10 years? In this paper, a review is given of existing systems and strategies, current stability limitations of RF control systems and new technologies with the potential to achieve attosecond resolutions.
  • Open Access Logo Contribution to proceedings
    10th International Particle Accelerator Conference, 19.-24.05.2019, Melbourne, Astralia: JACoW, 978-3-95450-208-0, 3414-3418
    DOI: 10.18429/JACoW-IPAC2019-THYYPLM2

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Permalink: https://www.hzdr.de/publications/Publ-29344
Publ.-Id: 29344


Super-SIMS at HZDR - first steps: measurements on halogens

Rugel, G.; Renno, A. D.; Wiedenbeck, M.; Ziegenrücker, R.ORC
The integration of an ion source with very high spatial resolution with a tandem accelerator is a long-standing concept for improving analytical selectivity and sensitivity by orders of magnitude [1-3]. Translating this design concept to reality has its challenges [e.g. 4-6]. Supporting a strong focus on natural, metallic and mineral resources the Helmholtz Institute Freiberg for Resource Technology installed such a system at the Ion Beam Centre at HZDR. This so-called Super-SIMS will be at the core of a comprehensive pallet of micro-analytical methods devoted to the characterization of minerals and ores. Secondary ion beam from a CAMECA IMS 7f-auto are injected into the pre-existing 6MV Dresden Accelerator Mass Spectrometry facility [7,8], which quantitatively eliminates isobaric molecular species from the ion beam.
Our SIMS component can function as either a stand-alone device or can be used to inject the negatively charged secondary ions at energies of up to 40 keV (to match the acceptance conditions) into the accelerator.
We will present the current status of this initiative and will report first results from halogen determinations (F – I) in sphalerite and galena. These data demonstrate a systematic and significant change in the counting rates of all halogens in mineralogically clearly distinguishable areas of both minerals. Furthermore first attempts on quantification with reference materials are given in [8].

[1] K. Purser et al. Surface and Interface Analysis 1(1), 1979, 12.
[2] J. M. Anthony, D. J. Donahue, A. J. T. Jull, MRS Proceedings 69 (1986) 311-316.
[3] S. Matteson, Mass Spectrom. Rev., 27 (2008) 470.
[4] Ender et al. NIMB 123 (1997) 575.
[5] C. Maden, PhD thesis, ETH Zurich 2003.
[6] A. J. Fahey et al. Analytical Chemistry 88(14), 2016, 7145.
[7] Sh. Akhmadaliev et al., NIMB 294 (2013) 5. [8] G. Rugel et al. NIMB 370 (2016) 94.
[8] R. Ziegenrücker et al., this conference.
Keywords: SIMS, Super-SIMS, AMS, accelerator, Beschleuniger, Flur, Flourine, Sphalerit, sphalerite
  • Poster
    Ion Beam Physics Workshop 2019, 24.-26.06.2019, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29342
Publ.-Id: 29342


The association of intra-therapeutic heterogeneity of somatostatin receptor expression with morphological treatment response in patients undergoing PRRT with [177Lu]-DOTATATE

Wetz, C.; Genseke, P.; Apostolova, I.; Furth, C.; Ghazzawi, S.; Rogasch, J.; Schatka, I.; Kreissl, M.; Hofheinz, F.; Grosser, O.; Amthauer, H.
Aim

Purpose of this study was to evaluate the association of the spatial heterogeneity (asphericity, ASP) in intra-therapeutic SPECT/ CT imaging of somatostatin receptor (SSR) positive metastatic gastroenteropancreatic neuroendocrine neoplasms (GEP-NEN) for morphological treatment response to peptide receptor radionuclide therapy (PRRT). Secondly, we correlated ASP derived form a pre-therapeutic OctreoScan (ASP[In]) and an intra-therapeutic [177Lu]-SPECT/CT (ASP[Lu]).

Materials and methods

Data from first therapy cycle [177Lu-DOTA0-Tyr3]octreotate ([177Lu]-DOTATATE)-PRRT was retrospectively analyzed in 33 patients (m = 20; w = 13; median age, 72 [46–88] years). The evaluation of response to PRRT was performed according to RECIST 1.1 in responding lesions [RL (SD, PR, CR), n = 104] and non-responding lesions [NRL (PD), n = 27]. The association of SSR tumor heterogeneity with morphological response was evaluated by Kruskal-Wallis test and receiver operating characteristic curve (ROC). The optimal threshold for separation (RL vs. NRL) was calculated using the Youden-index. Relationship between pre- and intra-therapeutic ASP was determined with Spearman’s rank correlation coefficient (ρ) and Bland-Altman plots.

Results

A total of 131 lesions (liver: n = 59, lymph nodes: n = 48, bone: n = 19, pancreas: n = 5) were analyzed. Lesions with higher ASP values showed a significantly poorer response to PRRT (PD, median: 11.3, IQR: 8.5–15.5; SD, median: 3.4, IQR: 2.1–4.5; PR, median 1.7, IQR: 0.9–2.8; CR, median: 0.5, IQR: 0.0–1.3); Kruskal-Wallis, p<0.001). ROC analyses revealed a significant separation between RL and NRL for ASP after 4 months (AUC 0.85, p<0.001) and after 12 months (AUC 0.94, p<0.001). The optimal threshold for ASP was >5.45% (sensitivity 96% and specificity 82%). The correlation coefficient of pre- and intra-therapeutic ASP revealed ρ = 0.72 (p <0.01). The mean absolute difference between ASP[In] and ASP[Lu] was -0.04 (95% Limits of Agreement, -6.1–6.0).

Conclusion

Pre- and intra-therapeutic ASP shows a strong correlation and might be an useful tool for therapy monitoring.

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Permalink: https://www.hzdr.de/publications/Publ-29341
Publ.-Id: 29341


Continuous Documentation for Users, Developers and Maintainers

Frust, T.ORC
This talk covers the often neglected and “hated” aspect of software documentation that is indispensable in a sustainable research software development process. A good, up-to-date and easily accessible software documentation lays the foundation for broader usage and collaboration. Software documentation usually covers three different components: user documentation, instructions how to modify and contribute to the software and a low-level API documentation. When starting developing a new research software, the documentation should be considered from the very beginning. Maintaining an up-to-date software documentation with good coverage in an exascale ready scientific software stack is only achievable, if the contribution process clearly includes a check for documentation adding or updates. This check can only be automated partially and usually requires a manual review process. All contributions must be made with the understanding, that documentation is a key aspect of any contribution. Things get never cleaned up later. Recurrent tasks should be automated wherever possible to reduce the impact of manual errors, e.g. the deployment of software documentation. This talk provides a set of best practices for software documentation in science combined with concrete examples from real-world scientific software solutions.
Keywords: Documentation; Software; Best Practices; CI; CD; Continuous Integration; API
  • Open Access Logo Invited lecture (Conferences)
    Platform for Advanced Scientific Computing (PASC) Conference 2019, 12.-14.06.2019, Zürich, Schweiz
    DOI: 10.5281/zenodo.3247324

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Permalink: https://www.hzdr.de/publications/Publ-29338
Publ.-Id: 29338


Smart Kd-concept for a realistic description of sorption processes in repository safety assessment

Stockmann, M.; Becker, D.-A.; Noseck, U.; Brendler, V.
A key component of safety assessment for radioactive waste repositories in deep geological formations is the simulation of potential radionuclide release scenarios and the transport of radionuclides through the repository system. The realistic modelling of (hydro-)geochemical processes is of high relevance for assessing the migration of radionuclides in groundwater systems. There, one important retardation process is sorption onto mineral surfaces of the host rock / sediments. Most often conventional concepts with constant sorption coefficients (Kd values) are applied in reactive transport simulations. Such an approach has the advantage to be simple and computationally fast but cannot reflect changes in geochemical conditions that will occur during the evolution of the repository system, e.g. due to climatic changes. Due to the German safety criteria with an assessment period of 1 million years it is necessary to consider the impact of such geochemical changes on the radionuclide transport and retardation. For this, we developed a new approach, the smart Kd concept (www.smartkd-concept.de) [1]. It is considering competitive sorption on different minerals (bottom-up approach) based on mechanistic sorption models and has been implemented in reactive transport codes [2, 3]. Possible migration scenarios for repository-relevant radionuclides (isotopes of Am, Cm, Cs, Ni, Np, Pu, Ra, Se, Th and U) through a typical sedimentary rock system covering potential repository host rocks, namely salt and clay formations in Northern Germany as natural geological barrier, were developed. The resulting smart Kd-values (for U(VI) in Fig. 1) and their associated sensitivities and uncertainties are presented for a wide range of important geochemical input parameters / boundary conditions such as pH value, ionic strength, concentration of competing cations and complexing ligands, e.g. dissolved inorganic carbon (DIC) and calcium (Ca).
  • Poster
    GDCh-Jahrestagung der Fachgruppe Nuklearchemie 2019, 25.-27.09.2019, Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-29337
Publ.-Id: 29337


Entwicklung induktiver Strömungs- und Füllstandssensoren für flüssige Metalle

Krauter, N.
In dieser Arbeit werden die Weiterentwicklung bestehender und die Entwicklung neuer Sensoren für die induktive Strömungs- und Füllstandsmessung in flüssigen Metallen sowie die zugehörigen Simulations- und Messergebnisse vorgestellt: Dabei handelt es sich um die Entwicklung und Charakterisierung eines miniaturisierten Eddy Current Flow Meters, das z.B. als Bestandteil der Sicherheitstechnik in flüssigmetallgekühlten Reaktoren zur Überwachung der Kühlmittelströmung bei hohen Umgebungstemperaturen eingesetzt werden kann. Außerdem wird das im Rahmen dieser Arbeit entwickelte Immersed Transient Eddy Current Flow Meter vorgestellt, welches eine direkte und kalibrierungsfreie Fließgeschwindigkeitsmessung ermöglicht und damit einen entscheidenden Vorteil gegenüber herkömmlichen induktiven Strömungssensoren besitzt. Anschließend werden neue Konzepte und ein Sensor für die Füllstandsüberwachung bei industriellen Prozessen, hier am Beispiel der Aluminium-Elektrolyse bei Temperaturen bis zu 1000 °C und der Titanherstellung vorgestellt.
Keywords: Induktive Messverfahren, Fließgeschwindigkeitsmessung, Füllstandsmessung
  • Doctoral thesis
    TUDpress, 2019
    Mentor: Prof. Dr. Uwe Hampel und Dr. Frank Stefani
    248 Seiten

Permalink: https://www.hzdr.de/publications/Publ-29336
Publ.-Id: 29336


Local inductive flow measurements

Krauter, N.; Stefani, F.
An overview of current research on inductive local flow rate measurement techniques in liquid metals at the HZDR.
Keywords: Inductive Flow Measurements, Eddy Current Flow Meter, Immersed Transient Eddy Current Flow Meter
  • Lecture (Conference)
    ESFR-SMART European Workshop on Instrumentation for the Safety of Liquid Metal Facilities, 10.-12.04.2019, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29335
Publ.-Id: 29335


Inductive Level Sensors

Krauter, N.; Stefani, F.; Zürner, T.; Wondrak, T.; Ratajczak, M.
An overview of current research on inductive level measurement techniques in liquid metals at the HZDR.
Keywords: Eddy Current Level Sensor, Free Surface Detection, Look-Up-Table Method
  • Lecture (Conference)
    ESFR-SMART European Workshop on Instrumentation for the Safety of Liquid Metal Facilities, 10.-12.04.2019, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29334
Publ.-Id: 29334


Simultaneous determination of flow velocity and electrical conductivity of a liquid metal using an eddy current flow meter in combination with a look-up-table method

Krauter, N.; Stefani, F.
Eddy Current Flow Meters (ECFM) are inductive sensors that are commonly used to measure the local flow rate or flow velocity of liquid metals in the vicinity of the sensor. One disadvantage of the ECFM is, that the measured voltage signals depend on the magnetic Reynolds number i.e. they are not only depending on the flow velocity but also on the electrical conductivity of the liquid metal. For applications where the temperature (and therefore also the electrical conductivity) is fluctuating significantly, the ECFM has to be calibrated in order to be able to distinguish between the influence of the flow velocity and the temperature on the measured signals. In this paper we present a method that allows the simultaneous measurement of electrical conductivity and flow velocity by using a so called Look-Up-Table method. When using this method, there is no need to calibrate the ECFM.
Keywords: Eddy current, inductive flow measurement, look-up-table
  • Contribution to proceedings
    11th Pamir International Conference Fundamental and Applied MHD, 01.-05.07.2019, Reims, Frankreich
  • Lecture (Conference)
    11th Pamir International Conference Fundamental and Applied MHD, 01.-05.07.2019, Reims, Frankreich

Permalink: https://www.hzdr.de/publications/Publ-29333
Publ.-Id: 29333


I-BEAT: Ultrasonic method for online measurement of the energy distribution of a single ion bunch

Haffa, D.; Yang, R.; Bin, J.; Lehrack, S.; Brack, F.-E.; Ding, H.; Englbrecht, F.; Gao, Y.; Gaus, L.; Gebhard, J.; Gilljohann, M.; Götzfried, J.; Hartmann, J.; Herr, S.; Hilz, P.; Kraft, S.; Kreuzer, C.; Kroll, F.; Lindner, F. H.; Metzkes-Ng, J.; Ostermayr, T. M.; Ridente, E.; Rösch, T. F.; Schilling, G.; Schlenvoigt, H.-P.; Speicher, M.; Taray, D.; Würl, M.; Zeil, K.; Schramm, U.ORC; Karsch, S.; Parodi, K.; Bolton, P.; Schreiber, J.; Assmann, W.
the shape of a wave carries all information about the spatial and temporal structure of its source, given that the medium and its properties are known. Most modern imaging methods seek to utilize this nature of waves originating from Huygens’ principle. We discuss the retrieval of the complete kinetic energy distribution from the acoustic trace that is recorded when a short ion bunch deposits its energy in water. this novel method, which we refer to as Ion-Bunch energy Acoustic tracing (I-BeAt), is a refinement of the ionoacoustic approach. With its capability of completely monitoring a single, focused proton bunch with prompt readout and high repetition rate, I-BeAt is a promising approach to meet future requirements of experiments and applications in the field of laser-based ion acceleration. We demonstrate its functionality at two laser-driven ion sources for quantitative online determination of the kinetic energy distribution in the focus of single proton bunches
Keywords: laser ion acceleration, ion spectrometer

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Permalink: https://www.hzdr.de/publications/Publ-29332
Publ.-Id: 29332


Direct Observation of Plasma Waves and Dynamics Induced by Laser-Accelerated Electron Beams

Gilljohann, M. F.; Ding, H.; Döpp, A.; Götzfried, J.; Schindler, S.; Schilling, G.; Corde, S.; Debus, A.; Heinemann, T.; Hidding, B.; Hooker, S. M.; Irman, A.; Kononenko, O.; Kurz, T.; Martinez De La Ossa, A.; Schramm, U.ORC; Karsch, S.
Plasma wakefield acceleration (PWFA) is a novel acceleration technique with promising prospects for both particle colliders and light sources. However, PWFA research has so far been limited to a few large-scale accelerator facilities worldwide. Here, we present first results on plasma wakefield generation using electron beams accelerated with a 100-TW-class Ti:sapphire laser. Because of their ultrashort duration and high charge density, the laser-accelerated electron bunches are suitable to drive plasma waves at electron densities in the order of 1019  cm−3. We capture the beam-induced plasma dynamics with femtosecond resolution using few-cycle optical probing and, in addition to the plasma wave itself, we observe a distinctive transverse ion motion in its trail. This previously unobserved phenomenon can be explained by the ponderomotive force of the plasma wave acting on the ions, resulting in a modulation of the plasma density over many picoseconds. Because of the scaling laws of plasma wakefield generation, results obtained at high plasma density using high-current laser-accelerated electron beams can be readily scaled to low-density systems. Laser-driven PWFA experiments can thus act as miniature models for their larger, conventional counterparts. Furthermore, our results pave the way towards a novel generation of laser-driven PWFA, which can potentially provide ultralow emittance beams within a compact setup.
Keywords: laser wakefield, plasma wakefield electron acceleration, high power laser, advanced accelerator

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Permalink: https://www.hzdr.de/publications/Publ-29331
Publ.-Id: 29331


A new method for the production of CeO2-base nanograined high capacity absorbent

Bonani, W.; Walter, O.; Cologna, M.; Prieur, D.; Beck, A.; Vitova, T.; Martin, P.; Störmer, H.; Popa, K.
Due to the broad range of applications (e.g.: catalyst, polishing agents, in fuel cells, pollutant adsorbed, in medicine), ceria is one of the most engineered oxides at nano- and micro-scale. The present research demonstrates highly reactive, nearly mono-dispersed metal oxides NPs with very large specific surface area (>300 m /g). The size of the NPs can be tailored by controlling the temperature and the pressure of the process. This research project explores applications of high quality CeO nanomaterials towards safe management of liquid radioactive wastes contributing to the environmental protection, resources, energy consumption optimisation, and circular economy.
  • Poster
    Nano Today Conference, 17.-21.06.2019, Lisbon, Portugal

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Permalink: https://www.hzdr.de/publications/Publ-29330
Publ.-Id: 29330


How do actinyls interact with hyperphosphorylated yolk protein Phosvitin ?

Kumar, S.; Creff, G.; Hennig, C.; Rossberg, A.; Steudtner, R.; Raff, J.; Vidaud, C.; Oberhaensli, F. R.; Bottein, Y.; Den Auwer, C.
We carried out a multi-techniques spectroscopic investigation to reveal the coordination geometry of actinyl ions (U(VI), Np(V)) in speciation with phosvitin protein. Like other protein molecules, phosvitin has carboxylic, phosphoryl and amide functional groups, but it has clustered serine residues and all the serine residues are phosphorylated to make it a hyperphosphorylated protein. IR spectroscopic study revealed phosphoryl groups as the main functional group interacting with uranyl ions. This was confirmed in the U(VI)-phosvitin fluorescence spectroscopic investigation and Np(V)-phosvitin UV-visible studies. Further, the existence of U(VI)-phosvitin system in a single speciation was found by the analysis of uranyl ion fluorescence decay data. Interestingly, X-ray absorption fine structure spectroscopic data for U/Np LIII edge revealed small contribution of bidentate binding present along with predominantly monodentate binding of phosphoryl groups in speciation of Uranyl ions with phosvitin protein. Signature of only bidentate binding was found in speciation of Np(V)-phosvitin system. In view of (de)phosphorylation as an important step of functional expression of various human body proteins, this study adds significant details to the molecular description of the toxicity of actinyl ions in biosphere.

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Permalink: https://www.hzdr.de/publications/Publ-29329
Publ.-Id: 29329


Instant kit preparation of 68Ga-radiopharmaceuticals via the hybrid chelator DATA: clinical translation of [68Ga]Ga-DATA-TOC

Sinnes, J. P.; Nagel, J.; Waldron, B. P.; Maina, T.; Nock, B. A.; Bergmann, R. K.; Ullrich, M.; Pietzsch, J.ORC; Bachmann, M.; Baum, P. B.; Rösch, F.
PURPOSE:
The widespread use of 68Ga for positron emission tomography (PET) relies on the development of radiopharmaceutical precursors that can be radiolabelled and dispensed in a simple, quick, and convenient manner. The DATA (6-amino-1,4-diazapine-triacetate) scaffold represents a novel hybrid chelator architecture possessing both cyclic and acyclic character that may allow for facile access to 68Ga-labelled tracers in the clinic. We report the first bifunctional DATA chelator conjugated to [Tyr3]octreotide (TOC), a somatostatin subtype 2 receptor (SST2)-targeting vector for imaging and functional characterisation of SSTR2 expressing tumours.

METHODS:
The radiopharmaceutical precursor, DATA-TOC, was synthesised as previously described and used to complex natGa(III) and 68Ga(III). Competition binding assays of [natGa]Ga-DATA-TOC or [natGa]Ga-DOTA-TOC against [125I-Tyr25]LTT-SS28 were conducted in membranes of HEK293 cells transfected to stably express one of the hSST2,3,5 receptor subtypes (HEK293-hSST2/3/5 cells). First in vivo studies were performed in female NMRI-nude mice bearing SST2-positive mouse phaeochromocytoma mCherry (MPC-mCherry) tumours to compare the in vivo SST2-specific tumour-targeting of [68Ga]Ga-DATA-TOC and its overall pharmacokinetics versus the [68Ga]Ga-DOTA-TOC reference. A direct comparison of [68Ga]Ga-DATA-TOC with the well-established PET radiotracer [68Ga]Ga-DOTA-TOC was additionally performed in a 46-year-old male patient with a well-differentiated NET (neuroendocrine tumour), representing the first in human administration of [68Ga]Ga-DATA-TOC.

RESULTS:
DATA-TOC was labelled with 68Ga with a radiolabelling efficiency of > 95% in less than 10 min at ambient temperature. A molar activity up to 35 MBq/nmol was achieved. The hSST2-affinities of [natGa]Ga-DATA-TOC and [natGa]Ga-DOTA-TOC were found similar with only sub-nanomolar differences in the respective IC50 values. In mice, [68Ga]Ga-DATA-TOC was able to visualise the tumour lesions, showing standardised uptake values (SUVs) similar to [68Ga]Ga-DOTA-TOC. Direct comparison of the two PET tracers in a NET patient revealed very similar tumour uptake for the two 68Ga-radiotracers, but with a higher tumour-to-liver contrast for [68Ga]Ga-DATA-TOC.

CONCLUSION:
[68Ga]Ga-DATA-TOC was prepared, to a quality appropriate for in vivo use, following a highly efficient kit type process. Furthermore, the novel radiopharmaceutical was comparable or better than [68Ga]Ga-DOTA-TOC in all preclinical tests, achieving a higher tumour-to-liver contrast in a NET-patient. The results illustrate the potential of the DATA-chelator to facilitate the access to and preparation of 68Ga-radiotracers in a routine clinical radiopharmacy setting.
Keywords: DATA-TOC; DOTA-TOC; Gallium-68; Molecular imaging; NET; PET-CT; Somatostatin receptor

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Permalink: https://www.hzdr.de/publications/Publ-29328
Publ.-Id: 29328


High-field magnetoresistance of graphite revised

Barzola-Quiquia, J.; Esquinazi, P. D.; Precker, C. E.; Stiller, M.; Zoraghi, M.; Förster, T.; Herrmannsdörfer, T.; Coniglio, W. A.
A detailed magnetoresistance (MR) study of bulk and microflake samples of highly oriented pyrolytic graphite in a broad temperature 240 ≳ T ≳ 1 K and magnetic field μ0H ≼ 62 T range, reveals the existence of three independent phenomena, the contributions of which are observed at different temperatures and fields. The identification of the three phenomena was possible by studying the MR of samples with thickness of 25 μm to 23 nm. At temperatures T ≳ 100 K the MR is mainly given by the semiconducting stacking order regions. At lower temperatures the contribution of the internal interfaces of graphite to its MR is clearly observable. These interfaces are the origin of the commonly observed electronic phase transitions at fields 35 ≲ μ0H ≲ 55 T at T ≲ 10 K as well as a background MR in the whole field range that resembles the MR measured in granular superconductors.

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Permalink: https://www.hzdr.de/publications/Publ-29327
Publ.-Id: 29327


Bedtime stories from space - Cosmogenic nuclides investigated by accelerator mass spectrometry

Merchel, S.ORC; Rugel, G.; Wallner, A.; DREAMS-Friends/Users
High-energy particles as part of the cosmic ray spectrum are constantly bombarding Earth and induce nuclear reactions in the atmosphere and the Earth’s surface. The reaction products can be determined by sophisticated analytical methods such as mass spectrometry (noble gases), radioactivity counting (short-lived radionuclides) or accelerator mass spectrometry (long-lived radionuclides). Their concentrations allow us to date and quantify geomorphological processes like Earth quakes, rock avalanches, glacier movements, volcanic eruptions, tsunamis, and meteoroid impacts, which have happened hundred to million years ago. Combined with stable isotope data, we can reconstruct the Sun’s activity, the Earth’s magnetic field and temperature of the past.

Additionally, meteorites found on Earth also contain the same nuclear reaction products induced mainly by the galactic cosmic radiation but at much higher concentrations as they have not been shielded by the Earth’s atmosphere and magnetic field while irradiated. These data provide information about the exposure history of the individual meteorite and the cosmic radiation itself.

Last but not least, terrestrial archives from the deep-sea or from remote areas like Antarctica contain traces of cosmic events like supernovae explosions or stellar collisions. Identifying those long-lived radionuclides, produced not only long-time ago but also at a far-distance in the interstellar space, gives hints about these amazing astrophysical events.

For many of these interdisciplinary research areas accelerator mass spectrometry (AMS) being able to determine long-lived radionuclides at the ultra-trace level, i.e. isotopic ratios (radioactive/stable) as low as 10-16, is nowadays the analytical method-of-choice. Thus, DREsden AMS (DREAMS) and other European AMS facilities offer external users free measurements via a Trans-National-Access proposal program (www.ionbeamcenters.eu) and also national access (www.hzdr.de/ibc; DREAMS only).
Keywords: AMS, cosmic radiation
  • Invited lecture (Conferences)
    Colloquium Analytische Atomspektroskopie 2019 (canas 2019), 23.-26.09.2019, Freiberg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29326
Publ.-Id: 29326


Extremely high conductivity observed in the triple point topological metal MoP

Kumar, N.; Sun, Y.; Nicklas, M.; Watzmann, S. J.; Young, O.; Leermakers, I.; Hornung, J.; Klotz, J.; Gooth, J.; Manna, K.; Süß, V.; Guin, S. N.; Förster, T.; Schmidt, M.; Muechler, L.; Yan, B.; Werner, P.; Schnelle, W.; Zeitler, U.; Wosnitza, J.; Parkin, S. S. P.; Felser, C.; Shekhar, C.
Weyl and Dirac fermions have created much attention in condensed matter physics and materials science. Recently, several additional distinct types of fermions have been predicted. Here, we report ultra-high electrical conductivity in MoP at low temperature, which has recently been established as a triple point fermion material. We show that the electrical resistivity is 6 nΩ cm at 2 K with a large mean free path of 11 microns. de Haas-van Alphen oscillations reveal spin splitting of the Fermi surfaces. In contrast to noble metals with similar conductivity and number of carriers, the magnetoresistance in MoP does not saturate up to 9 T at 2 K. Interestingly, the momentum relaxing time of the electrons is found to be more than 15 times larger than the quantum coherence time. This difference between the scattering scales shows that momentum conserving scattering dominates in MoP at low temperatures.

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Permalink: https://www.hzdr.de/publications/Publ-29325
Publ.-Id: 29325


Ultrafast Response of Photoexcited Carriers in Transition Metal Oxides under High Pressure

Braun, J. M.
In this work, optical pump – near-infrared probe and near-infrared pump – mid-infrared probe spectroscopy are used for the investigation of pressure-induced insulator-tometal transitions in transition metal oxide compounds. The materials under study are a-Fe₂O₃, also known as hematite, and VO₂. Both materials undergo pressureinduced metallization. However, the physical mechanisms of this phase transition are very different for these systems and have not been fully understood up to now. Using ultrafast pump-probe spectroscopy we obtain an insight into the evolution of the band structure and electron dynamics across the insulator-to-metal transition.
In the case of VO₂, our near-infrared pump – mid-infrared probe experiments reveal a non-vanishing pumping threshold for photo-induced metallization even at our highest pressures around 20 GPa. This demonstrates the existence of localized charge carriers and the corresponding persistence of a band gap. Besides the threshold behaviour for photo-induced metallization, the carrier relaxation time scale, and the linear reflectivity and transmissivity have been studied under pressure increase. An anomaly in the threshold behaviour as well as the linear reflectivity and transmissivity at a critical pressure around 7 GPa indicates band gap filling under pressure. This is further supported by results obtained under decompression, where the changes of the linear reflectivity turned out to be almost fully reversible. The observations on VO₂ are highly reproducible and can be explained in terms of a pressure-induced bandwidth-driven insulator-to-metal transition.
Fe₂O₃ has been studied via optical pump – near-infrared probe spectroscopy up to pressures of 60 GPa. In the pressure range up to 40 GPa, the changes of the response can be explained by photo-induced absorption and bleaching. The pressure-dependent study of the relaxation dynamics allows to identify cooling of the electron system as origin of the picosecond relaxation process. A sharp anomaly found in the response of Fe₂O₃ at 40 GPa indicates a strong rearrangement of the electronic band structure which could be explained by an insulator-to-metal phase transition induced by pumping.
The successful demonstration of pump-probe experiments in diamond anvil cells using pulses from optical to mid-infrared wavelengths and reaching pressures of several tens of GPa is a good basis for further experimental high-pressure studies. Our results obtained on VO₂ and Fe₂O₃ can serve as a benchmark for the development of advanced material models.
Keywords: metal-insulator transition; high-pressure; ultrafast spectroscopy; correlated oxides
  • Open Access Logo Wissenschaftlich-Technische Berichte / Helmholtz-Zentrum Dresden-Rossendorf; HZDR-101 2019

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Publ.-Id: 29324


Cytocompatible, Injectable, and Electroconductive Soft Adhesives with Hybrid Covalent/Noncovalent Dynamic Network

Xu, Y.; Patsis, P. A.; Hauser, S.; Voigt, D.; Rothe, R.; Günther, M.; Cui, M.; Yang, X.; Wieduwild, R.; Eckert, K.; Neinhuis, C.; Akbar, T. F.; Minev, I. R.; Pietzsch, J.ORC; Zhang, J.
Synthetic conductive biopolymers have gained increasing interest in tissue engineering, as they can provide a chemically defined electroconductive and biomimetic microenvironment for cells. In addition to low cytotoxicity and high biocompatibility, injectability and adhesiveness are important for many biomedical applications but have proven to be very challenging. Recent results show that fascinating material properties can be realized with a bioinspired hybrid network, especially through the synergy between irreversible covalent crosslinking and reversible noncovalent self-assembly.
Herein, a polysaccharide-based conductive hydrogel crosslinked through noncovalent and reversible covalent reactions is reported. The hybrid material exhibits rheological properties associated with dynamic networks such as self-healing and stress relaxation. Moreover, through fine-tuning the network dynamics by varying covalent/noncovalent crosslinking content and incorporating electroconductive polymers, the resulting materials exhibit electroconductivity and reliable adhesive strength, at a similar range to that of clinically used fibrin glue. The conductive soft adhesives exhibit high cytocompatibility in 2D/3D cell cultures and can promote myogenic differentiation of myoblast cells. The heparin-containing electroconductive adhesive shows high biocompatibility in immunocompetent mice, both for topical application and as injectable materials. The materials could have utilities in many biomedical applications, especially in the area of cardiovascular diseases and wound dressing.
Keywords: 3D cell culture, adhesion, biocompatibility, PEDOT, small animal magnetic resonance imaging

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Permalink: https://www.hzdr.de/publications/Publ-29323
Publ.-Id: 29323


PANAS- Project: Heat Transfer Model Development for Passive Safety Systems

Leyer, S.; Hampel, U.; Schuster, C.; Lippmann, W.; Walther, M.; Kosowski, K.
The Project PANAS (acronym for the German “PAssive Nachzerfallswärme-AbfuhrSysteme” = passive residual heat removal systems) deals with the assessment of the heat transfer mechanisms and the operational stability of passive residual heat removal systems applied in GENERATION III and III + nuclear reactors. The project is funded by the German Federal Ministry of Education and Research and executed by a consortium consisting of the German Partners: Technische Universität Dresden (TUD), Technische Hochschule Deggendorf (THD), Helmholtz Zentrum- Dresden- Rossendorf (HZDR), Framatome GmbH and PreussenElektra GmbH. Based on experimental data recorded during the course of the project at the high-pressure test facility COSMEA at HZDR and the low-pressure test facility GENEVA at TUD state of the art heat transfer models are examined. The test facilities are equipped with innovative two-phase-flow instrumentations and heat transfer probes. At the COSMEA test facility the angular resolved radial heat transfer measurement is combined with a 2D image of the liquid/vapor phase distribution inside a heat exchanger pipe. Since drastic deviations between experimentally obtained and calculated heat transfer have been detected depending on the operational conditions, available heat transfer models are modified or new models are proposed. This model adaptation and development process is supported by 3D CFD modeling of the flow inside the tubes. In addition, the operational stability of low-pressure natural circulation systems has been assessed applying RAM-ROM methodology. The paper gives an overview of the first project phase recently being completed and outlines the objectives of the subsequent project phase, which is planned to be completed until end of 2020.
Keywords: Passive Safety Systems, Heat Transfer, Two-Phase-Flow, Natural Convection
  • Contribution to proceedings
    18th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-18), 18.-23.08.2019, Portland, Oregon, USA
    Proceedings of the 18th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-18), 1332-1345
  • Lecture (Conference)
    18th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-18), 18.-23.08.2019, Portland, Oregon, USA

Permalink: https://www.hzdr.de/publications/Publ-29322
Publ.-Id: 29322


Exciton localization in MoSe₂ monolayer induced by adsorbed gas molecules

Venanzi, T.; Arora, H.ORC; Erbe, A.; Pashkin, O.ORC; Winnerl, S.; Helm, M.; Schneider, H.ORC
Lattice defects and dielectric environment play a crucial role for 2D materials. Gas molecules can get physisorbed easily on the surface through van der Waals forces and can modify dramatically the electronic and optical properties. In this work we investigate the impact of the physisorbed gas molecules on the optical properties of MoSe₂ monolayers by means of low-temperature photoluminescence (PL). More specifically we focus on the physics of excitons localized by gas molecules. The associated PL peak is observed to show a systematic and large red-shift with temperature and a blue-shift with laser irradiation. Both energy shifts are explained in terms of thermal instability of the localization in combination with hopping effects. Finally a model is presented which can reproduce the experimental data with excellent agreement.
Keywords: MoSe2, photoluminescence, localized excitons, TMD, physisorption

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Permalink: https://www.hzdr.de/publications/Publ-29321
Publ.-Id: 29321


XAFS Spectroscopy Study of Microstructure and Electronic Structure of Heterosystems Containing Si/GeMn Quantum Dots

Erenburg, S. B.; Trubina, S. V.; Zvereva, A.; Zinoviev, A.; Katsyuba, V.; Dvurechenskii, V.; Kvashnina, K. O.; Voelskow, M.
Using X-ray absorption near edge structure spectroscopy, extended X-ray absorption fine structure spectroscopy, atomic force microscopy, and Rutherford backscattering spectroscopy, the features of the microstructure and elemental composition of Si/GeMn magnetic systems obtained by molecular beam epitaxy and containing quantum dots are studied. Intense mixing of Ge and Si atoms is found in all samples. The degree of mixing (diffusion) correlates with the conditions of synthesis of Si/GeMn samples. For these systems, direct contacts of germanium atoms with manganese atoms are characterized and the presence of interstitial manganese with tetrahedral coordination and substitution of manganese for germanium and silicon in the lattice sites is found. The presence of stoichiometric phases Ge8Mn11, Ge3Mn5 is not detected. The correlations of the Ge, Si, and Mn coordination numbers in the Ge environment are determined both with the Mn flux value (evaporator temperature) and with the temperature at which quantum dots are grown, as well as with other synthesis conditions. The manganese concentration in the samples is determined.

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Permalink: https://www.hzdr.de/publications/Publ-29320
Publ.-Id: 29320


Viscosity measurements in pulsed magnetic fields by using a quartz-crystal microbalance

Nomura, T.; Zherlitsyn, S.ORC; Kohama, Y.; Wosnitza, J.
Viscosity measurements in combination with pulsed magnetic fields are developed by use of a quartz-crystal microbalance (QCM). When the QCM is immersed in liquid, the resonant frequency, f0, and the quality factor, Q, of the QCM change depending on (pn)0.5, where p is the mass density and n the viscosity. During the magnetic-field pulse, f0 and Q of the QCM are simultaneously measured by a ringdown technique. The typical resolution of (pn)>sup>0.5 is 0.5%. As a benchmark, the viscosity of liquid oxygen is measured up to 55 T.

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Permalink: https://www.hzdr.de/publications/Publ-29319
Publ.-Id: 29319


Spin Textures as Sources for Magnons with Short Wavelengths and 3D Mode Profiles

Sluka, V.; Wintz, S.
In this chapter, we will give an overview of contemporary methods for spin-wave excitation and propagation. We will focus on the exploitation of spin textures for the generation and propagation of spin waves with very short wavelengths as well as on the 3D nature of such excited waves.
Keywords: spin waves, excitation, 3D
  • Book chapter
    Gianluca Gubbiotti: Three-Dimensional Magnonics, Singapur: Jenny Stanford Publishing, 2019, 9789814800730, 219-259

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Permalink: https://www.hzdr.de/publications/Publ-29318
Publ.-Id: 29318


A model of a tidally synchronized solar dynamo

Stefani, F.; Giesecke, A.ORC; Weier, T.
We discuss a solar dynamo model of Tayler–Spruit type whose Omega-effect is conventionally produced by a solar-like differential rotation but whose alpha-effect is assumed to be periodically modulated by planetary tidal forcing. This resonance-like effect has its rationale in the tendency of the current-driven Tayler instability to undergo intrinsic helicity oscillations which, in turn, can be synchronized by periodic tidal perturbations. Specifically, we focus on the 11.07-years alignment periodicity of the tidally dominant planets Venus, Earth, and Jupiter, whose persistent synchronization with the solar dynamo is briefly touched upon. The typically emerging dynamo modes are dipolar fields, oscillating with a 22.14-years period or pulsating with a 11.07-years period, but also quadrupolar fields with corresponding periodicities. In the absence of any constant part of alpha, we prove the sub-critical nature of this Tayler–Spruit type dynamo. The resulting amplitude of the alpha oscillation that is required for dynamo action turns out to lie in the order of 1 m/s, which seems not implausible for the Sun. When starting with a more classical, non-periodic part of alpha, even less of the oscillatory alpha part is needed to synchronize the entire dynamo. Typically, the dipole solutions show butterfly diagrams, although their shapes are not convincing yet. Phase coherent transitions between dipoles and quadrupoles, which are reminiscent of the observed behavior during the Maunder minimum, can easily be triggered by long-term variations of dynamo parameters, but may also occur spontaneously even for fixed parameters. Further interesting features of the model are the typical second intensity peak and the intermittent appearance of reversed helicities in both hemispheres.

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Permalink: https://www.hzdr.de/publications/Publ-29317
Publ.-Id: 29317


Impact of the Electromagnetic Brake Position on the Flow Structure in a Slab Continuous Casting Mold: An Experimental Parameter Study

Schurmann, D.ORC; Glavinic, I.ORC; Willers, B.ORC; Timmel, K.ORC; Eckert, S.ORC
Flow measurements are performed in a slab model for continuous casting of steel under the influence of a ruler type Electromagnetic Brake (EMBr). The Mini-LIMMCAST facility utilizes the low melting GaInSn alloy for flow modeling. Two-dimensional velocity distributions in the center plane of the rectangular mold with a cross-section of 300 x 35 mm² are determined by means of the Ultrasound Doppler Velocimetry (UDV). This study especially focuses on the influence of the vertical position of the EMBr and its magnetic flux density as well as the effect of different immersion depths of the Submerged Entry Nozzle (SEN).

The horizontal flow velocity just below the free surface can effectively be reduced by choosing an optimal position of the EMBr while an improper positioning even increases the near-surface velocity compared to the case without activated brake. A general braking effect of the EMBr on the submerged jet is not observed. The decisive mechanism for controlling the near-surface flow results from a modification of the jet geometry and a reorganization of the flow field. In terms of an effective flow control an appropriate positioning of the EMBr has at least the same significance as the regulation of the magnetic field strength.
Keywords: Continuous Slab Casting, Liquid Metal Model Experiments, Flow Measurements, Ultrasound Doppler Velocimetry (UDV), Electromagnetic Brake (EMBr), Immersion Depth

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Permalink: https://www.hzdr.de/publications/Publ-29316
Publ.-Id: 29316


Micro-scale isotopic variability of low-temperature pyrite in fractured crystalline bedrock ― A large Fe isotope fractionation between Fe(II)aq/pyrite and absence of Fe-S isotope co-variation

Yu, C.; Drake, H.; Lopez Fernandez, M.ORC; Whitehouse, M.; Dopson, M.; Åström, M. E.
This study assessed Fe-isotope ratio (56Fe/54Fe, expressed as δ56Fe relative to the IRMM-014 standard) variability and controls in pyrite that has among the largest reported S-isotope variability (maximum δ34S: 140‰). The pyrite occurs as fine-grained secondary crystals in fractures throughout the upper kilometer of granitoids of the Baltic Shield, and was analyzed here for δ56Fe by in situ secondary ion mass spectrometry (SIMS). Part of these pyrite crystals were picked from borehole instrumentation at depths of >400 m below sea level (m.b.s.l.), and thus are modern (known to have formed within 17 years) and can be compared with the δ56Fe of the source dissolved ferrous iron. The δ56Fe values of the modern pyrite crystals (−1.81‰ to +2.29‰) varied to a much greater extent than those of the groundwaters from which they formed (−0.48‰ to +0.13‰), providing strong field evidence for a large Fe isotope fractionation during the conversion of Fe(II)aq to FeS and ultimately to pyrite. Enrichment of 56Fe in pyrite relative to the groundwater was explained by equilibrium Fe(II)aq-FeS isotope fractionation, whereas depletion of 56Fe in pyrite relative to the groundwater was mainly the result of sulfidization of magnetite and kinetic isotopic fractionation during partial transformation of microsized FeS to pyrite. In many pyrite crystals, there is an increase in δ34S from crystal center to rim reflecting Rayleigh distillation processes (reservoir effects) caused by the development of closed-system conditions in the micro-environment near the growing crystals. A corresponding center-to-rim feature was not observed for the δ56Fe values. It is therefore unlikely that the groundwater near the growing pyrite crystals became progressively enriched in the heavy Fe isotope, in contrast to what has been found for the sulfur in sulfate. Other pyrite crystals formed following bacterial sulfate reduction in the time period of mid-Mesozoicum to Quaternary, had an almost identical Fe-isotope variability (total range: −1.50‰ to +2.76‰), frequency-distribution pattern, and relationship with δ34S as the recent pyrite formed on the borehole instrumentation. These features suggest that fundamental processes are operating and governing the Fe-isotope composition of pyrite crystals formed in fractured crystalline bedrock over large time scales.
Keywords: Pyrite Iron isotopes Equilibrium Fe-isotope fractionation Magnetite sulfidization Partial pyritization Fractured crystalline bedrock

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  • Secondary publication expected from 28.05.2020

Permalink: https://www.hzdr.de/publications/Publ-29315
Publ.-Id: 29315


Horizon-2020 ESFR-SMART project on SFR safety: status after first 15 months

Mikityuk, K.; Girardi, E.; Krepel, J.; Bubelis, E.; Fridman, E.; Rineiski, A.; Girault, N.; Payot, F.; Buligins, L.; Gerbeth, G.; Chauvin, N.; Latge, C.; Guidez, J.
Devoted to the Generation-IV European Sodium Fast Reactor safety, the Horizon-2020 ESFR-SMART project was launched in September 2017. Selected results and milestones achieved during the first fifteen months of the project are briefly reviewed in the paper, including 1)proposal of new safety measures for ESFR; 2)evaluation of ESFR core performance; 3) benchmarking of codes; 4) experimental programs; and 5) education and training.
  • Contribution to proceedings
    27th International Conference on Nuclear Engineering - ICONE27, 19.-24.05.2019, Ibaraki, Japan

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Permalink: https://www.hzdr.de/publications/Publ-29314
Publ.-Id: 29314


Benchmarking KENO-VI against MCNP/Serpent using a simplified SFR pin cell problem

Fridman, E.; Jiménez-Carrascosa, A.; García-Herranz, N.; Alvarez-Velarde, F.; Romojaro, P.; Bostelmann, F.
  • Lecture (Conference)
    OECD/NEA UAM Workshop 2019, 13.-17.05.2019, Oak Ridge National Laboratory, USA

Permalink: https://www.hzdr.de/publications/Publ-29313
Publ.-Id: 29313


Initial solution of the SFR-UAM Exercises I-1 and I-2 with Serpent

Fridman, E.
Initial solution of the SFR-UAM Exercises I-1 and I-2 with Serpent
  • Lecture (Conference)
    OECD/NEA UAM Workshop 2019, 13.-17.05.2019, Oak Ridge National Laboratory, USA

Permalink: https://www.hzdr.de/publications/Publ-29312
Publ.-Id: 29312


About the impact of the Unresolved Resonance Region in Monte Carlo simulations of Sodium Fast Reactors

Jiménez-Carrascosa, A.; Fridman, E.ORC; García-Herranz, N.; Alvarez-Velarde, F.; Romojaro, P.; Bostelmann, F.
In the last few years, and within the framework of different European projects, KENO-VI code from SCALE system has been employed to perform detailed continuous-energy Monte Carlo transport calculations for advanced fast reactors. The core characterization of both the sodium-cooled ASTRID and the lead-cooled ALFRED reactors was performed during the FP7 cross-cutting ESNII+ project; more recently, core calculations for the sodium-cooled Superphénix reactor and the improved European Sodium Fast Reactor design were performed within the HORIZON2020 ESFR-SMART project. In all cases, the effective multiplication factor predicted by KENO-VI was systematically higher (around 400-500 pcm) than the values computed by MCNP and Serpent Monte Carlo codes, using the same nuclear data library.

In order to provide insight into the origin of the observed discrepancies, a simplified 2D MOX-fueled SFR pin-cell benchmark has been launched. The multiplication factor, as well as 1-group and VITAMINJ 175-group cross-sections computed by KENO-VI, Serpent and MCNP codes employing ENDF/B-VII.1 data library, have been compared.

Significant differences between KENO-VI and the other codes have been found in the unresolved resonance regions of 239Pu and 241Pu capture and production cross sections, while negligible differences appeared outside those energy ranges. On the other hand, calculations without using probability tables have shown very good agreement. Quantita-tive comparison is presented and analyzed, along with a discussion of the impact of the probability-table treatment in the three codes for MOX-fueled systems with typical SFR spectrum.
Keywords: Unresolved Resonance Region, Probability Tables, Monte Carlo simulations of SFR
  • Contribution to proceedings
    ICAPP 2019 – International Congress on Advances in Nuclear Power Plants, 12.-15.05.2019, Juan-les-pins, France
    Proceedings of ICAPP 2019

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Permalink: https://www.hzdr.de/publications/Publ-29311
Publ.-Id: 29311


In-house reference materials for the determination of low titanium concentration in SiO2 by secondary ion mass spectrometry

Ziegenrücker, R.ORC; Belokonov, G.; Böttger, R.; Couffignal, F.; Munnik, F.ORC; Renno, A.; Wiedenbeck, M.; Wu, H. S.
Secondary ion mass spectrometry (SIMS) is routinely used for geochemical and mineralogical applications, but quantification is still the major challenge of this method. Each analysed matrix needs its own matrix-matched reference material (RM). However, the list of available reference materials is short compared to the needs.

One approach for the production of suitable RMs is the use of ion implantation to introduce a known amount of an isotope into a matrix-matched material. This is widely used for SIMS applications in materials science, but rarely for geochemical problems. Bumett et al. (2014) [1] demonstrated the principal appropriateness and ways to calibrate nominal implant fluence. We choose the more elaborate way of implanting a box profile to allow an effectivly homogeneous distribution of the respective isotope in all three dimensions.

Silicon dioxide SiO2, a “simple” mineralogical and chemical system, can record scientificly important data e.g. the Ti-in-quartz geothermometer [2, 3]. 47Ti respectively 48Ti were implanted into synthetic ultra-high purity silica glass. Box profiles with concentrations between 10 and 1000 ppm and a maximum depth of homogeneous 47/48Ti distribution between 200 and 500 nm were produced at the Ion Beam Center in Dresden-Rossendorf. Single implantation steps with different ion-energies and –doses were simulated with the SRIM (Stopping and Range of Ions in Matter) software [4] and optimized to the target concentrations, implantation-depths and technological limitations of the implanter.

Several different implanted test-samples were characterized by means of SIMS, atomic force microscopy (AFM) and other analytical techniques. These showed that Ti is homogeneously distributed in the glass structure within ± 5% uncertainty in all 3 dimensions, while the surface-roughness remains suitable for SIMS depth profiling.

Such reference materials are also very promising for the quantification of Super-SIMS measurements [5].


[1] Bumett, D.S., et al. (2014). Ion Implants as Matrix-Appropriate Calibrators for Geochemical Ion Probe Analyses. Geostandards and Geoanalytical Research, 39(3), 265-276.
[2] Wark, D. A., Watson E. B. (2006). TitaniQ: a titanium-in-quartz geothermometer. Contributions to Mineralogy and Petrology, 152(6), 743-754.
[3] Thomas, J. B., Watson E. B., et al. (2010). TitaniQ under pressure: the effect of pressure and temperature on the solubility of Ti in quartz. Contributions to Mineralogy and Petrology, 160(5), 743–759.
[4] Ziegler, J. F. (2004). SRIM-2003. Nuclear Instruments and Methods in Physics Research Section B, 219-220, 1027-1036.
[5] Rugel, G., et al, this conference.
Keywords: Implantation, SIMS, Titanium, Quartz, Quarz, Reference material, Referenz Material
  • Poster
    Ion Beam Physics Workshop 2019, 24.-26.06.2019, Dresden, Germany

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Permalink: https://www.hzdr.de/publications/Publ-29310
Publ.-Id: 29310


Preparation of non-oxidized Ge quantum dot lattices in amorphous Al2O3, Si3N4 and SiC matrices

Nekić, N.; Šarić, I.; Salamon, K.; Basioli, L.; Sancho-Parramon, J.; Grenzer, J.; Hübner, R.; Bernstorff, S.; Petravić, M.; Mičetić, M.
The preparation of non-oxidized Ge quantum dot (QD) lattices embedded in Al2O3, Si3N4, SiC matrices by self-assembled growth was studied. The materials were produced by magnetron sputtering deposition, using different substrate temperatures. The deposition regimes leading to the self-assembled growth type and the formation of three-dimensionally ordered Ge QD lattices in different matrices were investigated and determined. The oxidation of the Ge QDs in different matrices was monitored and the best conditions for the production of non-oxidized Ge QDs were found. The optical properties of the Ge QD lattices in different matrices show a strong dependence on the Ge oxidation and the matrix type.
Keywords: Ge QD lattices, Ge oxidation, self-assembled growth, influence of matrix

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Publ.-Id: 29309


The magnetic structure of L10 ordered MnPt at room temperature determined using polarized neutron diffraction

Solina, D.; Schmidt, W.; Kaltofen, R.; Krien, C.; Lai, C.-H.; Schreyer, A.
Neutron scattering studies have been carried out on single crystal films of [001] orientated L10 ordered MnPt grown epitaxially onMgO(001) usingDCmagnetron sputtering. Polarized neutron diffraction studies at room temperature show that the moments in ordered MnPt are aligned perpendicular to the [001] axis with a tilt of 45° to the [100] axis and not parallel to [100] as inferred from previous powder neutron diffraction measurements.
Keywords: antiferromagnetic, neutron diffraction, platinum alloys

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Publ.-Id: 29308


Fast neutron inelastic scattering from ⁷Li

Beyer, R.ORC; Frotscher, A.; Gyürky, G.; Junghans, A.ORC; Nolte, R.; Nyman, M.; Olacel, A.; Pirovano, E.; Plompen, A.; Röttger, S.; Grieger, M.; Hammer, S.; Kögler, T.ORC; Ludwig, F.; Müller, S.ORC; Reinicke, S.; Schulz, S.; Schwengner, R.ORC; Trinh, T. T.; Turkat, S.; Urlaß, S.; Wagner, A.ORC
The inelastic scattering of fast neutrons from 7Li nuclei was investigated at the nELBE neutron-time-of-flight facility. This process has technological implications in fusion and fission reactors. In the former it could create an intense γ-ray field causing heating and radiation damage, in the latter it could strongly influence the neutron energy spectrum and therefore the neutronics of e.g. novel reactor concepts like the molten salt reactor. Furthermore the γ-ray production cross section of 7Li is a very good case to be used as an alternative for neutron fluence determination to enable relative measurements of neutron-induced reactions. Inelastic neutron scattering on 7Li leads to the production of a 478 keV γ-ray from the first excited state of 7Li. The next higher lying state in this nucleus at 4630 keV already undergoes break up into an α-particle and a triton. The angular distribution of the γ-rays after inelastic neutron scattering is isotropic and has negligible internal conversion. The threshold energy is low enough to be able to cover a large range of neutron energy and the cross section of about 0.2 barn is reasonably high to enable good statistics within a feasible measurement time.
At nELBE the photon production cross section was determined by irradiated a disc of LiF with a neutrons of energies ranging from 100 keV to about 10 MeV. The target position was surounded by a setup of 7 LaBr3 scintillation detectors and 4 high-purity germanium detectors to detect the 478 keV de-excitation gamma-rays. A 235U fission chamber was used to determine the incoming neutron flux. All details of the experiment and the data analysis will be explained. The final results will be compared to previous measurement done e.g. at the GELINA facility.
Keywords: fast neutron inelastic scattering, ⁷Li, nELBE
Related publications
Messung des 478 keV Gammaproduktionsquerschnitts nach … (Id 27814) HZDR-primary research data are used by this publication
  • Lecture (Conference)
    2019 International Conference on Nuclear Data for Science and Technology, 19.-24.05.2019, Beijing, China

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Permalink: https://www.hzdr.de/publications/Publ-29307
Publ.-Id: 29307


Detection of ultra-low protein concentrations with the simplest possible field effect transistor

Georgiev, Y.ORC; Petkov, N.; Yu, R.; Nightingale, A. M.; Buitrago, E.; Lotty, O.; Demello, J. C.; Ionescu, A.; Holmes, J. D.
Silicon nanowire (Si NW) sensors have attracted great attention due to their ability to provide fast, low-cost, label-free, real-time detection of chemical and biological species. Usually configured as field effect transistors (FETs), they have already demonstrated remarkable sensitivity with high selectivity (through appropriate functionalisation) towards a large number of analyses in both liquid and gas phases. Despite these excellent results, Si NW FET sensors have not yet been successfully employed to detect single molecules of either a chemical or biological target species. Here we show that sensors based on silicon junctionless nanowire transistors (JNTs), the simplest possible transistors, are capable of detecting the protein streptavidin at a concentration as low as 580 zM closely approaching the single molecule level. This ultrahigh detection sensitivity is due to the intrinsic advantages of junctionless devices over conventional FETs.

Apart from their superior functionality, JNTs are much easier to fabricate by standard microelectronic processes than transistors containing p-n junctions. The ability of JNT sensors to detect ultra-low concentrations (in the zeptomolar range) of target species, and their potential for low-cost mass production, will permit their deployment in numerous environments, including life sciences, biotechnology, medicine, pharmacology, product safety, environmental monitoring and security.
Keywords: Si nanowire biosensor, junctionless nanowire transistor, ultrahigh detection sensitivity, protein, streptavidin, single-molecule detection

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Permalink: https://www.hzdr.de/publications/Publ-29306
Publ.-Id: 29306


Development of nuclear and optical dual-labelled agents for cancer imaging

Stephan, H.ORC
For the past decade, nuclear and optical dual-labelled imaging agents have attracted enormous attention. Applied to cancer imaging, tumours can be tracked down by nuclear techniques such as single-photon emission tomography (SPECT) and positron emission tomography (PET), and subsequently resected using image-guided surgery with the appropriate fluorophores. Moreover, the high spatial resolution of fluorescence imaging permits the elucidation of cell-biological events and thereby gaining a deeper insight into in vitro and in vivo processes. The development of dual imaging probes can be achieved using sophisticated low-molecular compounds that combine moieties for the desired imaging modalities, e.g. dyes for fluorescence optical imaging, and appropriate bifunctional chelator agents (BFCAs) for radiometals enabling SPECT or PET. We have developed BFCAs based on bis(2-pyridylmethyl)-1,4,7-triazacyclononane (DMPTACN) and 3,7-diazabicyclo[3.3.1]nonane (bispidine) that rapidly form stable 64CuII complexes under mild conditions. These BFCAs are well-suited for in vivo application in cancer imaging. Since they are also relatively easy to functionalize with multiple modalities, they are ideal chelators for the design of targeted dual-labelled imaging agents (PET, fluorescence imaging). Moreover, these chelating agents can be easily grafted on the surface of nanomaterials that are equipped with a multitude of different functionalities, such as targeting units, solubility enhancer and fluorescent tags. Hence, higher sensitivity can be achieved compared to small molecules, and there is an almost infinite variability regarding the surface functionalization.
Examples of target-specific peptides and bio(nano)materials equipped with DMPTACN/bispidine ligands for labelling with 64Cu as an ideal positron emitter are discussed. This enables tumour imaging and the biodistribution of materials can be studied over a period of days via positron emission tomography (PET). The additional introduction of fluorescence labels allows for optical imaging with high spatial resolution, and offers the possibility to visualize cellular processes by fluorescence microscopy.
  • Lecture (Conference)
    Seventh International Conference on Radiation in Various Fields of Research, 10.-14.06.2019, Herceg Novi, Montenegro

Permalink: https://www.hzdr.de/publications/Publ-29305
Publ.-Id: 29305


Evidence for Recent Interstellar ⁶⁰Fe on Earth

Koll, D.; Faestermann, T.; Feige, J.; Fifield, L. K.; Froehlich, M. B.; Hotchkis, M. A. C.; Korschinek, G.; Merchel, S.ORC; Panjkov, S.; Pavetich, S.; Tims, S. G.; Wallner, A.
Over the last 20 years the long-lived radionuclide ⁶⁰Fe with a half-life of 2.6 Myr was shown to be an expedient astrophysical tracer to detect freshly synthesized stardust on Earth. The unprecedented sensitivity of Accelerator Mass Spectrometry for ⁶⁰Fe at The Australian National University (ANU) and Technical University of Munich (TUM) allowed us to detect minute amounts of ⁶⁰Fe in deep-sea crusts, nodules, sediments and on the Moon [1-5]. These signals, around 2-3 Myr and 6.5-9 Myr before present, were interpreted as a signature from nearby Supernovae which synthesized and ejected ⁶⁰Fe into the local interstellar medium.
Triggered by these findings, ANU and TUM independently analyzed recent surface material for ⁶⁰Fe, deep-sea sediments and for the first time Antarctic snow, respectively [6, 7].
We find in both terrestrial archives corresponding amounts of recent ⁶⁰Fe.
We will present these discoveries, evaluate the origin of this recent influx and bring it into line with previously reported ancient ⁶⁰Fe findings.
[1] K. Knie et. al. “Indication for supernova produced ⁶⁰Fe activity on Earth”, Phys. Rev. Lett. 83 (1999) 18.
[2] K. Knie et. al. “⁶⁰Fe anomaly in a deep-sea manganese crust and implications for a nearby supernova source”, Phys. Rev. Lett. 93 (2004) 171103.
[3] P. Ludwig et. al. “Time-resolved 2-million-year-old super-nova activity discovered in Earth's microfossil record”, PNAS 113 (2016) 9232.
[4] A. Wallner et. al. “Recent near-Earth supernovae probed by global deposition of interstellar radioactive ⁶⁰Fe”, Nature 532 (2016) 69.
[5] L. Fimiani et. al. “Interstellar ⁶⁰Fe on the surface of the Moon”, Phys. Rev. Lett. 116 (2016) 151104.
[6] D. Koll et. al. “Interstellar ⁶⁰Fe in Antarctica”, Phys. Rev. Lett., submitted
[7] A. Wallner et al. in preparation
Keywords: AMS, supernova, Antarctica, radionuclide, ⁶⁰Fe
  • Lecture (Conference)
    Heavy Ion Accelerator Symposium on Fundamental and Applied Science (HIAS), 09.-13.09.2019, Canberra, Australia

Permalink: https://www.hzdr.de/publications/Publ-29304
Publ.-Id: 29304


Integrierte Entwicklungs- und Publikationsumgebung für Forschungssoftware und Daten am Helmholtz-Zentrum Dresden-Rossendorf (HZDR)

Frust, T.ORC; Konrad, U.ORC
Mit dem Ziel den gesamten Lebenszyklus wissenschaftlicher Artikel, Forschungssoftware und Daten in Vereinbarkeit mit den FAIR-Prinzipien zu unterstützen, wurde am HZDR eine integrierte Entwicklungs- und Publikationsumgebung geschaffen. Insbesondere die Publikation von Forschungssoftware und Daten erfordert eine technische und organisatorische Infrastruktur. Oft ist auch ein intensiverer Wissensaustausch und die Unterstützung der Wissenschaftler notwendig. Die Hürde zur Veröffentlichung sollte durch Automatisierung und Integration verschiedener Plattformen möglichst klein gehalten werden. In diesem Vortrag wird der aktuelle Stand, Erfahrungen und Herausforderungen gezeigt, die bei der Bereitstellung einer derartigen Umgebung gemacht wurden.
Keywords: Publication; Data management; Research Software
  • Open Access Logo Lecture (Conference)
    deRSE19, 04.-06.06.2019, Potsdam, Deutschland
    DOI: 10.5446/42518

Permalink: https://www.hzdr.de/publications/Publ-29303
Publ.-Id: 29303


Effect of trivalent lanthanides and actinides on a rat kidney cell line

Heller, A.; Acker, M.; Barkleit, A.ORC; Bok, F.; Wober, J.
Exposure to trivalent lanthanides (Ln) and actinides (An) poses a serious health risk to animals and humans. Since both Ln and An are mainly excreted with the urine, we investigated the effect of La, Ce, Eu, and Yb (as representatives of Ln) as well as Am (as representative of An) exposure on a rat kidney cell line (NRK-52E) for 8, 24, and 48 h in vitro. Cell viability studies using the XTT assay and fluorescence microscopic investigations were combined with solubility and speciation studies using ICP-MS and time-resolved laser-induced fluorescence spectroscopy (TRLFS). Thermodynamic modeling was applied to predict the speciation of Ln and Am in cell culture medium.
All Ln show a concentration- and time-dependent effect on NRK-52E cells with Ce being the most potent element. Effective Ln concentrations reducing the cell viability to 50 % (EC50 values) range from 340 µM for Ce to 1.1 mM for Eu. In general, light and heavy Ln seem to exhibit a greater effect than middle Ln.
In cell culture medium with 10 % fetal bovine serum (FBS), the Ln are completely soluble and complexed with proteins from FBS. Ln speciation is time-independent. Comparative experiments with Am are ongoing and will reveal analogies and/or differences in the effect of trivalent Ln and An on rat kidney cells.
This is the first study revealing the effects of Ln onto mammalian kidney cells. Furthermore, our laboratory is one of the few worldwide, which is able to perform cell culture studies using radioactive elements like Am.
The results of this study underline the importance of combining biological, chemical, and spectroscopic methods in studying the effect of Ln and An on cells in vitro and may contribute to the improvement of the current risk assessment for Ln in the human body. Furthermore, they demonstrate that Ln seem to have no effect on rat renal cells in vitro at environmental trace concentrations. Nevertheless, especially Ce has the potential for harmful effects at elevated concentrations observed in mining and industrial areas.
Keywords: cytotoxicity, f-elements, XTT, TRLFS
  • Lecture (Conference)
    5th International Conference on Environmental Radioactivity, ENVIRA 2019, 08.-13.09.2019, Prag, Tschechische Republik

Permalink: https://www.hzdr.de/publications/Publ-29302
Publ.-Id: 29302


Measurement, model prediction and uncertainty quantification of plasma clearance of cerium citrate in humans

Höllriegl, V.; Barkleit, A.ORC; Spielmann, V.; Li, W. B.
Double tracer studies in healthy human volunteers with stable isotopes of cerium citrate were performed with the aim of investigating the gastro-intestinal absorption of cerium (Ce), its plasma clearance and urinary excretion. In the present work, results of the clearance of Ce in blood plasma are shown after simultaneous intravenous and oral administration of a Ce tracer. Inductively coupled plasma mass spectrometry was used to determine the tracer concentrations in plasma. The results show that about 80% of the injected Ce citrate cleared from the plasma within the 5 mins post-administration. The data obtained are compared to a revised biokinetic model of Ce, which was initially developed by the International Commission on Radiological Protection (ICRP). The measured plasma clearance of Ce citrate was mostly consistent with that predicted by the ICRP biokinetic model. Furthermore, in an effort to quantify the uncertainty of the model prediction, the laboratory animal data on which the ICRP biokinetic Ce model is based, was analyzed. The measured plasma clearance and its uncertainty was also compared to the plasma clearance uncertainty predicted by the model. It was found that the measured plasma clearance during the first 15 min after administration is in a good agreement with the modelled plasma clearance. In general, the measured clearance falls inside the 95% confidence interval predicted by the biokinetic model.
Keywords: cerium, biokinetics, systemic model, speciation, internal dosimetry, uncertainty analysis

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Permalink: https://www.hzdr.de/publications/Publ-29301
Publ.-Id: 29301


Influence of common decorporation agents on the speciation of trivalent f-elements in serum – a luminescence spectroscopic study

Barkleit, A.ORC; Heller, A.
The accidental release of radionuclides, especially actinides (An), in a nuclear facility or in the environment increases the risk of incorporation of these elements into the human body. Irrespective of the uptake pathway, via inhalation, ingestion, or through wounds or the skin, An are resorbed and transported by the bloodstream. Eventually, they are deposited in target organs (e.g., bone, liver or kidney) or partially excreted with urine or faeces. Fast and effective decorporation or chelation therapy is very important to minimize the health risk. To improve decorporation efficiency by choosing the right chelating agent or by designing new efficient chelators for different An, the understanding of their chemical speciation on a molecular level is crucial.
In this study, we investigate the chemical speciation of Cm(III) (as representative of An) and Eu(III) (as non-radioactive analogue for trivalent An) in blood serum. Subsequently, the alterations in speciation after spiking with common chelating agents often used for decorporation purposes, such as ethylenediaminetetraacetic acid (EDTA), or diethylenetriaminepentaacetic acid (DTPA), were studied and compared to biological ligands, such as citrate. Time-resolved laser-induced fluorescence spectroscopy (TRLFS) was used to perform the speciation investigations. Thermodynamic calculations were carried out to support the experimental results.
The dominant chemical species of Eu in serum were identified by comparing the Eu luminescence spectra and lifetimes in serum with those obtained in reference solutions with individual components of the serum, such as the proteins albumin and transferrin as well as the inorganic anions phosphate and carbonate. Linear combination fitting analysis (LCFA) on the sample spectra indicated that Eu is mainly coordinated by albumin (~50 %) and transferrin (~35 %), and to a lesser extent by inorganic anions like carbonate (~15 %).
The shape of the Eu luminescence spectrum in serum was only slightly influenced by adding citrate and EDTA, whereas the shapes of the pure ligand spectra differ strongly. This indicates that the speciation of Eu in serum was only slightly changed by these ligands. In contrast, DTPA caused a splitting of both the 7F1 and 7F2 peak, which is very similar to the Eu spectrum with the pure DTPA ligand, indicating a strong change of the Eu speciation in serum towards Eu-DTPA complexation. LCFA indicated that about 50 % of the Eu was coordinated by DTPA. The luminescence lifetimes and thermodynamic calculations as well as the Cm luminescence data show similar tendencies. Our results follow the trend of the respective complex stability constants of Am(III) complexes with chelating agents and the findings from 241Am experiments with animals.
This study combining TRLFS and thermodynamic calculations demonstrates a fast and easy way to screen the effect of several chelating agents towards (luminescent) An in vitro. In future, this could be a useful tool to improve decorporation methods.
Keywords: serum proteins, EDTA, DTPA, laser fluorescence spectroscopy
  • Contribution to proceedings
    5th International Conference on Environmental Radioactivity, ENVIRA 2019, 08.-13.09.2019, Prag, Tschechische Republik
  • Lecture (Conference)
    5th International Conference on Environmental Radioactivity, ENVIRA 2019, 08.-13.09.2019, Prag, Tschechische Republik

Permalink: https://www.hzdr.de/publications/Publ-29300
Publ.-Id: 29300


Transverse electron beam dynamics in the beam loading regime

Köhler, A.
GeV electron bunches accelerated on a centimeter scale device exemplify the extraordinary advances of laser-plasma acceleration. The combination of high charges from optimized injection schemes and intrinsic femtosecond short bunch duration yields kiloampere peak currents. Further enhancing the current while reducing the energy spread will pave the way for future application, e.g. the driver for compact secondary radiation sources such as high-field THz, high-brightness x-ray or gamma-ray sources. One essential key for beam transport to a specific application is an electron bunch with high quality beam parameters such as low energy spread as well as small divergence and spot size. The inherent micrometer size at the plasma exit is typically sufficient for an efficient coupling into a conventional beamline. However, energy spread and beam divergence require optimization before the beam can be transported efficiently. Induced by the high peak current, the beam loading regime can be used in order to achieve optimized beam parameters for beam transport.

In this thesis, the impact of beam loading on the transverse electron dynamic is systematically studied by investigating betatron radiation and electron beam divergence. For this reason, the bubble regime with self-truncated ionization injection (STII) is applied to set up a nanocoulomb-class laser wakefield accelerator. The accelerator is driven by 150TW laser pulses from the DRACO high power laser system. A supersonic gas jet provides a 3mm long acceleration medium with electron densities from 3 × 10^18 cm^−3 to 5 × 10^18 cm^−3. The STII scheme together with the employed setup yields highly reproducible injections with bunch charges of up to 0.5 nC. The recorded betatron radius at the accelerator exit is about one micron and reveals that the beam size stays at the same value. The optimal beam loading, which is observed at around 250 pC to 300 pC, leads to the minimum energy spread of ~40MeV and a 20% smaller divergence. It is demonstrated that an incomplete betatron phase mixing due to the small energy spread can explain the experimentally observed minimum beam divergence.
Keywords: Laser wakefield acceleration, laser plasma accelerator, self-truncated ionization injection, high x-ray flux, high bunch charge, beam loading, bunch size measurement, betatron radiation, betatron spectroscopy, Transverse phase space dynamic, beam divergence, beam decoherence, betatron phase mixing, betatron decoherence
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Minimizing betatron coupling of energy spread and … (Id 29188) HZDR-primary research data are used by this publication
  • Open Access Logo Wissenschaftlich-Technische Berichte / Helmholtz-Zentrum Dresden-Rossendorf; HZDR-102 2019

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Publ.-Id: 29299


Gated targeting with a novel switchable CAR platform technology

Feldmann, A.; Hoffmann, A.; Kittel-Boselli, E.; Bergmann, R.; Koristka, S.; Arndt, C.; Loureiro, L.; Berndt, N.; Bachmann, M.
T-cells armed with conventional CARs (cCARs) are highly effective especially in hematological malignancies. However, they often fail against solid tumors, induce tumor escape variants and cause life-threatening side effects. The safety of cCAR therapy should be improved by on/off-switchable CARs. Additionally, gated targeting strategies could increase the CAR specificity, minimize on-target/off-tumor toxicities and reduce tumor escape variants. For AND gate targeting, the signaling and costimulatory motifs are split from one onto two separate CARs of different specificities. Dual-CAR-T-cells, expressing both CARs, get activated only after recognizing both antigens. However, the application of such pairs of cCARs is very challenging as the affinity and signal strength of both CARs have to be adapted accordingly. Furthermore, the cCAR size limits the number of specificities that can be simultaneously transduced into a T-cell.
Therefore, our idea was to replace the extracellular scFv domain of cCARs with a small peptide epitope. Resulting RevCARs have a small size, avoid unspecific binding and tonic signaling caused by scFv dimerization. RevCAR-T-cells can be redirected against tumors only via bispecific target modules. Such RevTMs can be used as on/off-switch of RevCAR-T-cells and flexibly replaced for targeting of any antigens. For proof of concept, two RevCARs with different peptide epitopes and a series of respective RevTMs were constructed and functionally proven for targeting of leukemic as well as solid cancers. Moreover, for gated targeting, two RevCARs were expressed in the same T-cell that differ in their extracellular peptide epitope, transmembrane and intracellular signaling domains to separately transmit isolated activation and costimulatory signals. For efficient activation of Dual-RevCAR-T-cells, both RevCARs must be engaged by respective RevTMs recognizing different epitopes and antigens.
In summary, we established a novel switchable, modular and adaptable RevCAR system characterized by small size, improved safety, easy controllability, and high flexibility allowing gated targeting strategies.
  • Lecture (Conference)
    International Conference on Lymphocyte Engineering (ICLE) 2019, 13.-15.09.2019, London, England
  • Abstract in refereed journal
    Human Gene Therapy 30(2019)12
    DOI: 10.1089/hum.2019.29091.abstracts

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  • Secondary publication expected from 09.09.2020

Permalink: https://www.hzdr.de/publications/Publ-29298
Publ.-Id: 29298


Extracting the Dynamic Magnetic Contrast in Time-Resolved X-ray Transmission Microscopy

Schaffers, T.; Feggeler, T.; Pile, S.; Meckenstock, R.; Buchner, M.; Spoddig, D.; Ney, V.; Farle, M.; Wende, H.; Wintz, S.; Weigand, M.; Ohldag, H.; Ollefs, K.; Ney, A.
Using a time-resolved detection scheme in scanning transmission X-ray microscopy (STXM) we measured element resolved ferromagnetic resonance (FMR) at microwave frequencies up to 10 GHz and a spatial resolution down to 20 nm at two different synchrotrons. We present different methods to separate the contribution of the background from the dynamic magnetic contrast based on the X-ray magnetic circular dichroism (XMCD) effect. The relative phase between the GHz microwave excitation and the X-ray pulses generated by the synchrotron, as well as the opening angle of the precession at FMR can be quantified. A detailed analysis for homogeneous and inhomogeneous magnetic excitations demonstrates that the dynamic contrast indeed behaves as the usual XMCD effect. The dynamic magnetic contrast in time-resolved STXM has the potential be a powerful tool to study the linear and non-linear magnetic excitations in magnetic micro- and nano-structures with unique spatial-temporal resolution in combination with element selectivity.
Keywords: x-ray microscopy, magnetic imaging

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Publ.-Id: 29297


Formation of Néel Type Skyrmions in an Antidot Lattice with Perpendicular Magnetic Anisotropy

Saha, S.; Zelent, M.; Finizio, S.; Mruczkiewicz, M.; Tacchi, S.; Suszka, A. K.; Wintz, S.; Bingham, N. S.; Raabe, J.; Krawczyk, M.; Heyderman, L. J.
Magnetic skyrmions are particle-like chiral spin textures found in a magnetic film with out-of-plane anisotropy and are considered to be potential candidates as information carriers in next generation data storage devices. Despite intense research into the nature of skyrmions and their dynamic properties, there are several key challenges that still need to be addressed. In particular, the outstanding issues are the reproducible generation, stabilization and confinement of skyrmions at room temperature. Here, we present a method for the capture of nanometer sized magnetic skyrmions in an array of magnetic topological defects in the form of an antidot lattice. With micromagnetic simulations, we elucidate the skyrmion formation in the antidot lattice and show that the capture is dependent on the antidot lattice parameters. This behavior is confirmed with scanning transmission x-ray microscopy measurements. This demonstration that a magnetic antidot lattice can be implemented as a host to capture skyrmions provides a new platform for experimental investigations of skyrmions and skyrmion based devices.
Keywords: skyrmion

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Publ.-Id: 29296


Editorial for special issue "Jörg Steinbach"

Mamat, C.ORC
This special issue of Journal of Labelled Compounds and Radiopharmaceuticals is dedicated to commemorate the outstanding scientific work of Jörg Steinbach, former director of the Institute of Radiopharmaceutical Cancer Research at the Helmholtz‐Zentrum Dresden‐Rossendorf (HZDR) and full professor for Bioinorganic and Radiopharmaceutical Chemistry at the Technical University Dresden. Current legal regulations brought to an end the formal attachment of Professor Steinbach to the TU Dresden as well as the directorship of the institute within his 65th birthday. A festive symposium has been held at the HZDR on the occasion of his retirement on September 5th, 2018, one day after the inauguration of the new Centre for Radiopharmaceutical Tumor Research at the HZDR.
  • Journal of Labelled Compounds and Radiopharmaceuticals 62(2019)8, 350-351
    DOI: 10.1002/jlcr.3773

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Publ.-Id: 29295


Prompt-gamma based range verification in proton therapy: Can we do better? Shall we do better?

Pausch, G.ORC
Prompt gamma-ray imaging (PGI) with a knife-edge slit camera has proven to be useful for range monitoring in proton therapy (PT). It is meanwhile applied in a prostate patient study at OncoRay. Together with an improved range prediction based on dual-energy CT and robust planning methods it could finally allow reducing the range margins, thus saving normal tissue in PT treatments. Translating these emerging techniques in clinical routine is a long but important process that will require considerable efforts.
Nevertheless we are also dealing with the far end of the translational conveyer, asking if and how in-vivo range verification could be improved. So far, PGI does not allow measuring range deviations of single pencil beams with the necessary precision. The reason is the short delivery time of such a beam spot, and the poor event statistics that can be accessed in this period. It is obvious to exploit not only spatial, but also spectroscopic and timing information of the gamma rays registered for range verification. The prompt gamma-ray spectroscopy method developed at MGH in Boston and the prompt gamma-ray timing technique explored at OncoRay in Dresden represent reasonable alternatives to PGI; but can these approaches be combined in a single, preferable simple and light-weight, clinically applicable system distinguished by minimum interference with beam and patient couch? Could such a combination improve the accuracy and allow single-spot range verification, maybe even for the non-distal spots comprising much less protons?
The talk will present our thoughts and approaches to answer this question. This includes recent results concerning prompt gamma-ray timing (PGT) and single-plane Compton imaging (SPCI). Part of the research performed in this context could also affect gamma-ray imaging in nuclear medicine.
Keywords: PGI, PGT, prompt gamma ray, proton therapy, range verification, treatment verification
  • Lecture (others)
    Medizinphysik-Seminar, 12.06.2019, Heidelberg, Deutschland

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Publ.-Id: 29293


THEREDA - Achievements, present activities, and future developments

Moog, H. C.; Altmaier, M.; Bok, F.; Brendler, V.; Freyer, D.; Gaona, X.; Marquardt, C.; Richter, A.; Scharge, T.; Seher, H.; Thoenen, T.; Voigt, W.
INTRODUCTION
Five institutions are actively maintaining the thermodynamic reference database THEREDA aiming at the calculation of solubilities in high-saline solutions. The database is designed for applications in the context of the disposal of radioactive waste in rock salt formations and clay formations featuring solutions with a higher ionic strength [1]. The project is striving to provide an internally consistent set of data, formatted for the use by several widely-used geochemical codes. With the focus on high ionic strength systems, THEREDA complements other database projects focussing on low-saline solutions, such as THERMOCHIMIE [2] or the PSI/Nagra Chemical Thermodynamic Data Base [3].
In practical terms, work for THEREDA comprises several aspects. Most importantly, the database is continuously maintained and extended, based on annual contributions to the project. Other aspects concern the implementation of internal calculation routines, export functions and measures for quality assurance.

RECENT ACTIVITIES
Data releases
In 2018 a new release (R-12) was issued covering phosphate in high-saline solutions [4-5]. Pitzer interaction coefficients were optimized using osmotic coefficients, activity coefficients, and solubility data in binary and ternary systems. To test the obtained database, experimental data from quaternary systems were successfully modelled.
Supplementary to the phosphate release, an earlier uranium release was upgraded by adding several solid phases with phosphate (R-09.1). Available experimental data for respective aqueous complexes with phosphate in high-saline solution are currently under inspection.

CURRENT ACTIVITIES
Data releases
THEREDA is working on new thermodynamic data sets, in part as extensions to existing releases, and in part representing new systems, hitherto not covered by THEREDA. In short, the systems currently in preparation are:
• Solubility of molecular oxygen (polythermal)
• Se(+VI,+IV,0,-II) – Na, K, Mg, Ca – Cl, SO4 – H2O (partially polythermal)
• Solubility of carbonates up to 100°C (upgrade for R-03)
• Extensions for the systems Na, Mg, Cl, OH- - H2O (Sorel phases)
• Cs – K, Na, Mg, Ca, – Cl, SO4 – H2O (polythermal upgrade for R-05)
• Rb - K, Na, Mg, Ca, – Cl, SO4 – H2O (25°C)
• U(VI) hydrolysis and solubility in NaCl, KCl and MgCl2 systems (25°C, upgrade of R-09.1)
• Implementation of CEMDATA 18 [8]; will not work with GWB and TOUGHREACT as they cannot handle solid solutions yet.

Preparation of new release mode
THEREDA ensures that all issued parameter files yield the results as laid out in the release papers available at the project website. To optimize the workload, we will abstain from producing release papers in the future and establish a new procedure for data releases, which ensures a high quality of issued parameter files. Future data releases will move along the following steps.
• 1. addition and modification of data sets in THEREDA;
• 2. “feature freeze” of the database: no new data sets are added, and no existing data sets modified;
• 3. All test calculations (at present 192) are automated for all supported codes, producing (at present 1131) individual results to be compared with the ones from previous releases;
• 4. If significant deviations occur, “debugging” and repetition of test calculations is started.
5. Release of one cumulative parameter file (covering all supported systems) for each supported code.

Supported codes
Due to a significantly decreasing number of downloads, the support for EQ3/6 has been abandoned. GEM-Selektor [9] is now able to import the generic JSON-export from THEREDA. As to GWB beside the traditional “Oct84” the “Jul17” format is supported.
At present we are working on the support for TOUGHREACT [10].

Assessment of current state of THEREDA
By the end of the year the management board of THEREDA is required to submit an assessment as to whether the database, related to supported systems, still represents the state-of-the-art, or to which extent updates are appropriate.

CONCLUSION
THEREDA aims for implementing additional thermodynamic data (Pitzer) for radionuclides and key matrix elements in future data releases. While THEREDA is particularly focusing on Germany, it is open for international exchange and exploiting synergies with the international scientific/technical community.

ACKNOWLEDGMENTS
THEREDA is funded by the German “Bundesgesellschaft für Endlagerung (BGE)”, contract number 45162393 (8998-3).

REFERENCES
1. H. C. MOOG et al.: Disposal of Nuclear Waste in Host Rock formations featuring high-saline solutions - Implementation of a Thermodynamic Reference Database (THEREDA). Appl. Geochem., 55, 72-84 (2015).
2. E. GIFFAUT et al.: Andra thermodynamic data for performance assessment: ThermoChimie. Appl. Geochem., 49, 225–236 (2014).
3. T. THOENEN et al.: The PSI/Nagra Chemical Thermodynamic Database 12/07. PSI Bericht Nr. 14-04, Paul Scherrer Institut, ISSN 1019-0643 (2014). https://www.psi.ch/en/les/database
4. T. SCHARGE et al.: Thermodynamic modelling of high salinary phosphate solutions. I. Binary systems. J. Chem. Thermodynamics, 64, 249–256 (2013).
5. T. SCHARGE et al.: Thermodynamic modeling of high salinary phosphate solutions II. Ternary and higher systems. J. Chem. Thermodynamics, 80, 172-183 (2015).
6. A. P. SOLOV’JEV et al.: Rastvorimost‘ v ctevernych vzainych vodnych sistemach iz chloridov i fosfatov natrija i kalija pri 25°C, Sb. Naucn. Tr. Jarosl. Gos. Ped. Inst., 164, 136-142 (1977).
7. G. BRUNISHOLZ et al.: Contribution à L'étude du système quinaire H+-Na+-K+-Cl--PO43--H2O II. Le diagramme de solubilité du système quaternaire Na+-K+-Cl--H2PO4--H2O, Helv. Chim. Acta, 46, 2575-2587 (1963).
8. B. LOTHENBACH et al.: Cemdata18: A chemical thermodynamic database for hydrated Portland cements and alkali-activated materials. Cem. Concr. Res., 115, 472-506 (2019).
9. D. A. KULIK et al.: GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes. Comp. Geosc., 17, 1-24 (2013).
10: TIANFU XU et al.: TOUGHREACT—A simulation program for non-isothermal multiphase reactive geochemical transport in variably saturated geologic media: Applications to geothermal injectivity and CO2 geological sequestration. Comp.Geosc., 32, 145-165 (2006).
Keywords: THEREDA, Database, Geochemical Modelling, Thermodynamic, Nuclear Waste Repository, Pitzer
  • Lecture (Conference)
    Actinide Brine Chemistry (ABC-Salt) VI Workshop 2019, 25.-26.06.2019, Karlsruhe, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29292
Publ.-Id: 29292


Band gap renormalization in n-type GeSn alloys made by ion implantation and flash lamp annealing

Prucnal, S.; Berencén, Y.; Wang, M.; Rebohle, L.; Kudrawiec, R.; Polak, M.; Zviagin, V.; Schmidt-Grund, R.; Grundmann, M.; Grenzer, J.; Turek, M.; Droździel, A.; Pyszniak, K.; Zuk, J.; Helm, M.; Skorupa, W.; Zhou, S.
The last missing piece of the puzzle for the full functionalization of group IV optoelectronic devices is a direct bandgap semiconductor made by CMOS compatible technology. Here, we report on the fabrication of GeSn alloys with Sn concentrations up to 4.5% using ion implantation followed by millisecond-range explosive solid phase epitaxy. The n-type single crystalline GeSn alloys are realized by coimplantation of Sn and P into Ge. Both the activation of P and the formation of GeSn are performed during a single-step flash lamp annealing for 3 ms. The bandgap engineering in GeSn as a function of the doping level and Sn concentration is theoretically predicted by density functional theory and experimentally verified using ellipsometric spectroscopy. We demonstrate that both the diffusion and the segregation of Sn and P atoms in Ge are fully suppressed by millisecond-range nonequilibrium thermal processing.
Keywords: ion implantation, flash lamp annealing, Ge, GeSn, n-type doping

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Permalink: https://www.hzdr.de/publications/Publ-29290
Publ.-Id: 29290


Benchmarking ATHLET against TRACE as applied to Superphénix start-up tests

Di Nora, V. A.; Fridman, E.; Mikityuk, K.
ATHLET is a thermal-hydraulic (TH) system code developed at the GRS for the modeling of Light Water Reactors (LWRs). To extend the applicability of ATHLET to the analyses of Sodium Fast Reactors (SFRs), the code was recently upgraded with the thermal-physical properties of the liquid sodium. The new extension is still under verification and validation phases. The present work contributes to the verification efforts. This study investigated the perfor-mance of the extended version of ATHLET as applied to the transient analysis of a set of start-up tests conducted at the Superphénix SFR. The specifications of the corresponding tests such as the simplified SPX reactor core models and the set of reactivity coefficients were adopted primarily from a previous dedicated study performed at PSI and at KIT. The reactivity effects accounted for by ATHLET included fuel Doppler effect and thermal expansion effects of sodium, fuel, diagrid, control rods driveline, strongback, and reactor vessel. The results obtained by ATHLET for main stationary TH parameters, power evolutions, and reactivity feedback components were benchmarked against the reference solutions provided by TRACE. Employing an identical set of reactivity coefficients, either in steady-state or transient calculations, the codes produce consistent and close results.
Keywords: ATHLET against TRACE; ATHLET verification; Superphénix start-up tests;
  • Contribution to proceedings
    International Congress on Advances in Nuclear Power Plants - ICAPP2019, 12.-15.05.2019, Juan-les-Pins, France

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Publ.-Id: 29289


Photon diagnostics at the FLASH THz beamline

Pan, R.; Zapolnova, E.; Golz, T.; Krmpot, A. J.ORC; Rabasovic, M. D.; Petrovic, J.; Asgekar, V.ORC; Faatz, B.; Tavella, F.; Perucchi, A.; Kovalev, S.; Green, B.ORC; Geloni, G.; Tanikawa, T.ORC; Yurkov, M.; Schneidmiller, E.; Gensch, M.; Stojanovic, N.
The THz beamline at FLASH, DESY, provides both tunable (1–300 THz) narrow-bandwidth (∼10%) and broad-bandwidth intense (up to 150 uJ) THz pulses delivered in 1 MHz bursts and naturally synchronized with free-electron laser X-ray pulses. Combination of these pulses, along with the auxiliary NIR and VIS ultrashort lasers, supports a plethora of dynamic investigations in physics, material science and biology. The unique features of the FLASH THz pulses and the accelerator source, however, bring along a set of challenges in the diagnostics of their key parameters: pulse energy, spectral, temporal and spatial profiles. Here, these challenges are discussed and the pulse diagnostic tools developed at FLASH are presented. In particular, a radiometric power measurement is presented that enables the derivation of the average pulse energy within a pulse burst across the spectral range, jitter-corrected electro-optical sampling for the full spectro-temporal pulse characterization, spatial beam profiling along the beam transport line and at the sample, and a lamellar grating based Fourier transform infrared spectrometer for the on-line assessment of the average THz pulse spectra. Corresponding measurement results provide a comprehensive insight into the THz beamline capabilities.
Keywords: Electro-optic, FLASH, FTIR, Intense THz, THz diagnostic

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Publ.-Id: 29288


Cross section of 3He(α , γ)7Be around the 7Be proton separation threshold

Szücs, T.ORC; Kiss, G. G.; Gyürky, G.; Halász, Z.; Szegedi, T. N.; Fülöp, Z.
Background: The 3He(α,γ)7Be reaction is a widely studied nuclear reaction; however, it is still not understood with the required precision. It has a great importance both in Big Bang nucleosynthesis and in solar hydrogen burning. The low mass number of the reaction partners makes it also suitable for testing microscopic calculations.

Purpose: Despite the high number of experimental studies, none of them addresses the 3He(α,γ)7Be reaction cross sections above 3.1-MeV center-of-mass energy. Recently, a previously unobserved resonance in the 6Li(p,γ)7Be reaction suggested a new level in 7Be, which would also have an impact on the 3He(α,γ)7Be reaction in the energy range above 4.0 MeV. The aim of the present experiment is to measure the 3He(α,γ)7Be reaction cross section in the energy range of the proposed level.

Method: For this investigation the activation technique was used. A thin window gas-cell target confining 3He gas was irradiated using an α beam. The 7Be produced was implanted into the exit foil. The 7Be activity was determined by counting the γ rays following its decay by a well-shielded high-purity germanium detector.

Results: Reaction cross sections have been determined between Ecm=4.0and4.4 MeV with 0.04-MeV steps covering the energy range of the proposed nuclear level. One lower-energy cross-section point was also determined to be able to compare the results with previous studies.

Conclusions: A constant cross section of around 10.5 μb was observed around the 7Be proton separation energy. An upper limit of 45 neV for the strength of a 3He(α,γ)7Be resonance is derived.
Keywords: Nuclear Astrophysics, alpha induced reaction, light element nucleosynthesis

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Publ.-Id: 29287


Electromagnetic forcing of a flow with the azimuthal wavenumber m=2 in cylindrical geometry

Stepanov, R.; Stefani, F.
In this paper, we consider a liquid metal flow generated in a cylindrical volume by AC currents in various coil configurations. The final aim of this study is to design and optimize a Rayleigh-Bénard experiment with a large scale circulation, the helicity oscillation of which is synchronized by a periodically modulated tide-like m=2 perturbation.
Keywords: Rayleigh-Bénard

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Publ.-Id: 29286


Incorporation of Europium into GaN Nanowires by Ion Implantation

Faye, D. N. A.; Biquard, X. B.; Nogales, E. C.; Felizardo, M. A.; Peres, M. A.; Redondo-Cubero, A. A.; Auzelle, T. B.; Daudin, B.; Tizei, L. H. G.; Kociak, M.; Ruterana, P.; Möller, W.; Méndez, B.; Alves, E.; Lorenz, K.
Rare earth (RE)-doped GaN nanowires (NWs), combining the well-defined and controllable optical emission lines of trivalent RE ions with the high crystalline quality, versatility, and small dimension of the NW host, are promising building blocks for future nanoscale devices in optoelectronics and quantum technologies. Europium doping of GaN NWs was performed by ion implantation, and structural and optical properties were assessed in comparison to thin film reference samples. Despite some surface degradation for high implantation fluences, the NW core remains of high crystalline quality with lower concentrations of extended defects than observed in ion-implanted thin films. Strain introduced by implantation defects is efficiently relaxed in NWs and the measured deformation stays much below that in thin films implanted in the same conditions. Optical activation is achieved for all samples after annealing, and while optical centers are similar in all samples, Eu 3+ emission from NW samples is shown to be less affected by residual implantation damage than for the case of thin films. The incorporation of Eu in GaN NWs was further investigated by nano-cathodoluminescence and X-ray absorption spectroscopy (XAS). Maps of the Eu-emission intensity within a single NW agree well with the Eu-distribution predicted by Monte Carlo simulations, suggesting that no pronounced Eu-diffusion takes place. XAS shows that 70-80% of Eu is found in the 3+ charge state while 20-30% is 2+ attributed to residual implantation defects. A similar local environment was found for Eu in NWs and thin films: for low fluences, Eu is mainly incorporated on substitutional Ga-sites, while for high fluences XAS points at the formation of a local EuN-like next neighbor structure. The results reveal the high potential of ion implantation as a processing tool at the nanoscale.

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Excitation of beam-driven plasma-waves in a hybrid L|PWFA

Schöbel, S.; Kurz, T.ORC; Debus, A.; Kononenko, O.; Heinemann, T.; Couperus Cabadağ, J. P.ORC; Chang, Y.-Y.; Pausch, R.; Bock, S.; Bussmann, M.ORC; Corde, S.; Ding, H.; Döpp, A.; Gilljohann, M. F.; Köhler, A.ORC; Hidding, B.; Karsch, S.; Zarini, O.ORC; Schramm, U.ORC; Martinez De La Ossa, A.; Irman, A.
Recent progress in laser wakefield acceleration (LWFA) has demonstrated the generation of high peak current electron beams with improved shot to shot stability [1]. Using high-current electron beams from a LWFA as drivers of a beam-driven plasma wakefield accelerator (PWFA) has been proposed as a beam energy and brightness transformer [2], aiming to fulfill the demanding quality requirements for applications such as FELs. It has been demonstrated experimentaly that electron beams from LWFA can actually drive plasma wakefields by themselves [3]. In order to further study the generation of plasma waves in the PWFA stage a sub-10 fs probe pulse was deployed and installed at HZDR. We observed beam driven plasma waves at different plasma densities, showing the capability of the LWFA beam to drive plasma wakefields in the self-ionizing regime. Furthermore we observed a correlation between the energy loss of the driver beam and the shape of the plasma wave. This enables us to find an optimum parameter set towards the experimental demonstration of the hybrid LPWFA.

References
[1] J. P. Couperus, R. Pausch, A. Köhler, O. Zarini, J. M. Krämer, M. Garten, A. Huebl, R. Gebhardt, U. Helbig, S. Bock, K. Zeil, A. Debus, M. Bussmann, U. Schramm, and A. Irman. Demonstration of a beam loaded nanocoulomb-class laser wakefield accelerator. Nature Communications, pages 1-7, 2017.
[2] A. Martinez de la Ossa, R.W. Assmann, M. Bussmann, S. Corde, J. P. Couperus Cabadağ, A. Debus, A. Döpp, A. Ferran Pousa, M. F.Gilljohann, T. Heinemann, B. Hidding, A. Irman, S. Karsch, O. Kononenko, T. Kurz, J. Osterhoff, R. Pausch, and U. Schramm Hybrid LWFA | PWFA Staging as a Beam Energy and Brightness Transformer: Conceptual Design and Simulations. Phil. Trans. R. Soc. A. Accepted for publication., 2019, https://arxiv.org/abs/1903.04640.
[3] M. F. Gilljohann, H. Ding, A. Döpp, J. Götzfried, S. Schindler, G. Schilling, S. Corde, A. Debus, T. Heinemann, B. Hidding, S. M. Hooker, A. Irman, O. Kononenko, T. Kurz, A. Martinez de la Ossa, U. Schramm, and S. Karsch. Direct Observation of Plasma Waves and Dynamics Induced by Laser-Accelerated Electron Beams. Phys. Rev. X, 9:011046, Mar 2019
  • Lecture (Conference)
    Laser Plasma Accelerator Workshop (LPAW), 06.05.2019, Split, Kroatien
  • Lecture (Conference)
    EAAC (European Advanced Accelerator Concepts Workshop), 16.09.2019, Elba, Italien

Permalink: https://www.hzdr.de/publications/Publ-29284
Publ.-Id: 29284


Electron Paramagnetic Resonance in Ge/Si Heterostructures with Mn-Doped Quantum Dots

Zinovieva, A. F.; Zinovyev, V. A.; Stepina, N. P.; Katsuba, A. V.; Dvurechenskii, A. V.; Gutakovskii, A. K.; Kulik, L. V.; Bogomyakov, A. S.; Erenburg, S. B.; Trubina, S. V.; Voelskow, M.
Ge/Si quantum dot (QD) structures doped with Mn have been tested by the EPR method to find the optimal conditions for formation of the diluted magnetic semiconductor (DMS) phase inside QDs. The effect of Mn doping has been studied for two series of samples: series A with QDs grown at 450 degrees C and varied Mn concentration and series B with QDs grown at different temperature with Mn concentration x = 0.02. Several effects of modification of the EPR spectra due to Mn presence in the samples have been obtained. These effects are related to (i) strain reduction due to GeSi intermixing, (ii) QD enlargement and change in QD shape, (iii) presence of an additional magnetic field produced by Mn atoms incorporated in QDs. The data obtained allow us to understand the reasons for irreproducibility of the results available in the literature on the creation of magnetic Ge1 - xMnx quantum dots.

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Permalink: https://www.hzdr.de/publications/Publ-29283
Publ.-Id: 29283


Optimizing the Utilization of Heterogeneous Systems Using a Single-Source Approach with Dynamic Resource Mapping

Knodel, O.ORC; Charaf, N.; Stephan, J.; Göhringer, D.
The efficient execution of applications on various heterogeneous resources is an emerging challenge in the heterogeneous landscape of ongoing processing architectures. Especially the mapping of applications to available hardware --regarding to real time requirements, energy parameters, hardware resources and various other system parameters-- is a major academic mission. Based on a single-source C++ software application --only containing SYCL directives-- kernels are generated for different specialized hardware accelerators (e.g. multicore processors, Graphics Processing Units (GPUs) and Field Programmable Gate Arrays (FPGAs)). With the help of hardware emulation the behavior of the execution on different hardware platforms is simulated and a survey is created. While taking additional user objectives and demands (e.g. execution time, hardware resources, power consumption, ...) into account, a virtual Heterogeneous System (vHS) is constructed and then deployed inside a data center or resource-limited edge board. To achieve high system utilization dynamic task offloading between different accelerators and kernel migration is also considered.
Keywords: Heterogeneous Systems; Virtualization; Cloud; Edge Computing; Reconfigurable
  • Poster
    ACACES - Advanced Computer Architecture and Compilation for High-Performance and Embedded Systems, 14.-20.07.2019, Fiuggi, Italy

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Permalink: https://www.hzdr.de/publications/Publ-29282
Publ.-Id: 29282


Common methods of spectral data analysis for unevenly sampled data

Seilmayer, M.ORC
Fourier and Hilbert transforms are utilized to perform several types of spectral analysis on the supplied data. Fragmented and irregularly spaced data can be processed in terms of Lomb-Scargle method. Both, FFT as well as LOMB methods take multivariate data. A user friendly interface helps to interpret the results.
Keywords: Lomb-Scargle; Fourier, Hilbert, R
  • Software in external data repository
    Publication year 2019
    Programming language: R
    System requirements: PC, Windows, Linux, MAC
    License: GPL-2

Permalink: https://www.hzdr.de/publications/Publ-29280
Publ.-Id: 29280


Numerical modelling of air-breathing PEMFC

Weber, N.; Chaparro, A.; Ferreira-Aparicio, P.
Übersicht über die Simulation von Luft atmenden Brennstoffzellen mit OpenFOAM
  • Lecture (others)
    Vortrag am IEK3 des Forschungszentrums Jülich, 22.05.2019, Jülich, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29279
Publ.-Id: 29279


Improved 242Pu(n,γ) thermal cross section combining activation and prompt gamma analysis

Lerendegui-Marco, J.; Guerrero, C.; Belgya, T.; Maróti, B.; Eberhardt, K.; Düllmann, C. E.; Junghans, A. R.; Mokry, C.; Quesada, J. M.; Runke, J.; Thörle-Pospiech, P.
A good knowledge of the radiative capture cross section of 242Pu is required for innovative nuclear reactor studies, especially for MoX fuel reactors. However, the experimental data available show discrepancies in the energy regions of interest: the thermal point and the keV region. Previous experimental results of the thermal cross section deviate from each other by 20% and these discrepancies are reflected also in the evaluated libraries, each of them giving more credit to different data sets. A recent measurement by Genreith et al. did not succeed to solve the existing discrepancy due to the large uncertainties and correction factors in the analysis. This work presents a new measurement of the thermal capture cross section of 242Pu carried out in the Budapest Research Reactor using the same thin targets of a previous measurement at n_TOF-EAR1, each containing 30mg of 99.995% pure 242Pu . The combined analysis of the full prompt γ-ray spectrum and the 243Pu decay has led to three compatible values for the thermal cross section. Their average value, 18.9(9)b, has an improved accuracy compared to recent measurements. Leaving aside the activation value of Genreith using an outdated intensity value for the 84 keV decay line of 243Pu , our average result is in very good agreement with the JEFF-3.2 evaluation and all the previous measurements, with the exception of the highest value 22.5(11)b reported by Marie et al., which has a strong influence in the ENDF evaluation.242
Keywords: neutron capture cross section, 242Pu, thermal neutron spectrum

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Permalink: https://www.hzdr.de/publications/Publ-29278
Publ.-Id: 29278


Analysis of studies and research projects regarding the detection of nanomaterials in different environmental compartments and deduction of need for action regarding method development

Hildebrand, H.; Franke, K.; Fischer, C.; Schymura, S.
Exertengespräch und Präsentation der Ergebnisse aus der Literaturstudie zum Nachweis von Nanomaterialien in den verschiedenen Umweltkompartimenten, Projekt NanoExperte
Keywords: nanomaterials in environemtal media, detection, quantification
  • Invited lecture (Conferences)
    Abschlusspräsentation des Sachverständigengutachtens „NanoExperte“, 17.04.2019, Dessau-Roßlau, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29277
Publ.-Id: 29277


Specific ion effects directed noble metal aerogels: Versatile manipulation for electrocatalysis and beyond

Du, R.; Hu, Y.; Hübner, R.; Joswig, J.-O.; Fan, X.; Schneider, K.; Eychmüller, A.
Noble metal foams (NMFs) are a new class of functional materials featuring properties of both noble metals and monolithic porous materials, providing impressive prospects in diverse fields. Among reported synthetic methods, the sol-gel approach manifests overwhelming advantages for versatile synthesis of nanostructured NMFs (i.e., noble metal aerogels) under mild conditions. However, limited gelation methods and elusive formation mechanisms retard structure/composition manipulation, hampering on-demand design for practical applications. Here, highly tunable NMFs are fabricated by activating specific ion effects, enabling various single/alloy aerogels with adjustable composition (Au, Ag, Pd, and Pt), ligament sizes (3.1 to 142.0 nm), and special morphologies. Their superior performance in programmable self-propulsion devices and electrocatalytic alcohol oxidation is also demonstrated. This study provides a conceptually new approach to fabricate and manipulate NMFs and an overall framework for understanding the gelation mechanism, paving the way for on-target design of NMFs and investigating structure-performance
relationships for versatile applications.

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Permalink: https://www.hzdr.de/publications/Publ-29276
Publ.-Id: 29276


Dose-volume predictors of early esophageal toxicity in non-small cell lung cancer patients treated with accelerated-hyperfractionated radiotherapy

Bütof, R.; Löck, S.; Soliman, M.; Haase, R.; Perrin, R.; Richter, C.; Appold, S.; Krause, M.; Baumann, M.
Background and purpose: Early radiation-induced esophageal toxicity (RIET) is one of the major side effects in patients with non-small cell lung cancer (NSCLC) and can be a reason for treatment interruptions. As the age of patients with NSCLC and corresponding comorbidities continue to increase, primary radiotherapy alone is a commonly used alternative treatment in these cases. The aim of the present study is to compare dosimetric and clinical parameters from the previously reported CHARTWEL trial for their ability to predict esophagitis and investigate potential differences in the accelerated and conventional fractionation arm.

Material and methods: 146 patients of the Dresden cohort of the randomized phase III CHARTWEL trial were included in this post-hoc analysis. Side effects were prospectively scored weekly during the first 8 weeks from start of radiotherapy. To compare both treatment arms, recorded dose-volume parameters were adjusted for the different fractionation schedules. Logistic regression was performed to predict early RIET for the entire study group as well as for the individual treatment arms. Differentdosimetric and clinical parameters were tested.

Results: Patients receiving the accelerated CHARTWEL schedule experienced earlier and more severe esophagitis (e.g. 20.5% v . 9.6% ≤ grade 2 at week 3, respectively). In contrast, the median time period for recovery of grade 1 esophagitis was significantly longer for patients with conventional fractionation compared to the CHARTWEL group (median [range]: 21 [12-49] days vs. 15 [7-84] days, p=0.028). In univariable logistic regression none of the dose-volume parameters showed a significant correlation with early RIET grade  2 in the conventional irradiation group. In contrast, for patients receiving CHARTWEL, the physical dose-volumes parameters V40 and V50; and re-scaled values VEQD2,50 and VEQD2,60 were significant predictors of early RIET grade  2. Dose-volume parameters remained different between CHARTWEL and conventional fractionation even after biological rescaling.

Conclusion: Our results show a more dominant dose-volume effect in the CHARTWEL arm compared to conventional fractionation, especially for higher esophageal doses. These findings support the notion that dose-volume parameters for radiation esophagitis determined in a specific and time dependent setting of field arrangements can not be easily transferred to another setting. In clinical practice esophageal volumes receiving 40 Gy or more should be strictly limited in hyperfractionated accelerated fraction schemes.
Keywords: Dose-volume parameters, esophagitis, radiotherapy, accelerated, prediction, non-small cell lung cancer, CHARTWEL

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Permalink: https://www.hzdr.de/publications/Publ-29275
Publ.-Id: 29275


Eu3+ incorporation into xenotime LnPO4: the effect of local distortion on long term stability

Schmidt, M.ORC; Lösch, H.; Hirsch, A.; Holthausen, J.; Peters, L.; Xiao, B.; Neumeier, S.; Huittinen, N.
Ceramic matrices are considered for the immobilization of specific nuclear waste streams. Recently, our group has studied the suitability of orthophosphates with monazite structure for this purpose, and found generally good exchangeability between host and guest cation and a corresponding high stability of the materials. Nonetheless, it was evident that both bulk structure and the local coordination environment of the guest cation need to be studied in order to assess the structural strain in the ceramic
material on the molecular level. Here, we present an in-depth study of the incorporation of Eu3+ as a luminescent homologue for the trivalent actinides, such as Am3+, into xenotime orthophosphates. We combine XRD with laser-induced luminescence spectroscopy (TRLFS) as a method to probe the local structure, to understand the impact of the substitution process.
Polarization-dependent TRLFS studies with single crystalline materials show that Eu3+ occupies identical lattice sites in Tb, Y, Ho, Er, and YbPO4. The site has a distinct lower symmetry than the crystallographic cation lattice site, indicating local distortion. In LuPO4, the material with the smallest host cation, this distortion is no longer viable and Eu3+ occupies a less distorted site with similar geometry to the crystallographic lattice site. The very small site enforces a strong overlap of ligand and metal orbitals, inducing strong spectral shifts as well as coupling to lattice phonons.[1] Characterization of polycrystalline materials reveals a more complex mineralogy, including an anhydrite-type phase and monazite in addition to xenotime. Eu3+ distribution indicates a clear aversion for the xenotime lattice when other phases are present. In the absence of other phases, Eu3+ is incorporated into xenotime initially, but long term studies reveal a complex unmixing process[2].
[1] Xiao, B. et al., (2018), Chem Eur J., 24, 13368-77.
[2] Lösch, H. et al., (2019), Front. Chem., 7, 94.
Keywords: xenotime, TRLFS, luminescence, lanthanides
  • Lecture (Conference)
    Goldschmidt 2019, 18.-23.08.2019, Barcelona, Espana

Permalink: https://www.hzdr.de/publications/Publ-29274
Publ.-Id: 29274


Uranium toxicity on plant cells: Isothermal microcalorimetric studies for the differentiation between chemotoxic and radiotoxic effects of uranium

Sachs, S.; Oertel, J.; Fahmy, K.
The transfer of radionuclides into the food chain is a central concern in the safety assessment of both nuclear waste repositories and remediation strategies in radioactively contaminated sites, such as legacies of the former uranium mining. The uptake and translocation of radionuclides, e.g., uranium, is speciation dependent and induces several stress response reactions, which changes the plant metabolism. Correlating molecular information on radionuclide speciation and biomolecular interactions with physiological performance is a major challenge for radioecology.
In our previous work we applied isothermal microcalorimetry as a sensitive real-time monitor to study the interaction of U(VI) with canola (Brassica napus) cells (Sachs et al., 2017). Applying this method we were able to monitor the metabolic activity of the cells in the presence of U(VI) and to determine the U(VI) toxicity in B. napus cells. Those was correlated with the oxidoreductase activity of the cells and the U(VI) speciation in solution. Based on this work we are currently investigating the differentiation between chemotoxic and radiotoxic effects of uranium on B. napus cells applying natural uranium as well as 233U as alpha emitter. To discriminate between these effects, the metabolic heat flow of the cells at a constant total uranium concentration of 50 µmol/L is monitored by isothermal microcalorimetry applying increasing concentrations of 233U (1-15 µmol/L), which correspond to increasing radiation doses. Applying liquid scintillation counting (LSC) we determine the amount of uranium that is bioassociated to the plant cells and estimate the respective 233U doses for the cells.
Mc values provide a quantitative ranking of metabolic activities that is independent of cell number and largely unaffected by normal variations between experiments (Sachs et al., 2017). Our data are normalized to Mc values of B. napus cells that were exposed to natural uranium only. In the presence of 2 µM 233U a slight increase in the Mc values was observed, which indicates a slightly higher metabolic activity of the cells. Probably, this is an indication for a stress response of the cells to the radiotoxic effect of 233U. With increasing 233U concentration only a slight decrease of the Mc values was observed. This indicates only a slight effect of the alpha radiation on the cells compared to those cells that were exposed to natural uranium, which exhibits a predominant chemotoxic effect. These first results point to a high resistance of B. napus cells to the radiotoxicity of 233U.
This presentation will demonstrate the potential of life cell microcalorimetry for radioecological studies. We will present the calorimetric determination of the U(VI) toxicity in B. napus cells that correlates with oxidoreductase activity and U(VI) speciation and will focus on the differentiation between chemotoxic and radiotoxic effects of uranium.

Sachs, S., Geipel, G., Bok, F., Oertel, J., Fahmy, K. 2017. Calorimetrically determined U(VI) toxicity in Brassica napus correlates with oxidoreductase activity and U(VI) speciation. Environ. Sci. Technol. 51, 10843-10849.
Keywords: uranium, plant cells, toxicity, isothermal microcalorimetry
  • Lecture (Conference)
    ENVIRA 2019, 5th International Conference on Environmental Radioactivity, 08.-13.09.2019, Prague, Czech Republic

Permalink: https://www.hzdr.de/publications/Publ-29272
Publ.-Id: 29272


Influence of local magnification effects in the atom probe for silicon nanocrystals doped by indium

Nomoto, K.; Hiller, D.; Rebohle, L.; Ringer, S.
Atom probe tomography (APT) is a powerful tool to study the 3-dimensional structure of materials with sub-nanometer spatial resolution. This allows us to study the location of atoms such as dopant positions in nanocrystals (NCs) with high accuracy. However, one of the limitations for the spatial resolution are the effects of local magnification when there are multiple elements with different evaporation rates in the atom probe specimen. For example, in the system of silicon (Si) NCs embedded in SiO2, the difference in the local evaporation field between Si NCs and SiO2 results in a non-uniform sequence of evaporation and this affects the accuracy of the 3-dimensional reconstruction of the atom probe experiment (i.e. over/under estimation of the number of doped atoms in the Si NCs). In this study, we use indium (In) as a dopant to investigate the local magnification effects. Due to the very low solubility of In-atoms in Si, the detected In-atoms inside of Si NCs can be attributed to the local magnification effects and we can quantitatively estimate the number of atoms which are projected inside of Si NCs due to the trajectory artefact. This approach provides a model system to quantify and correct local magnification effects which allows a more precise and advanced study of Si nanostructures.
Keywords: Atom probe tomography, Si nanocrystals, ion implantation
  • Lecture (Conference)
    European Material Research Society Spring Meeting 2019, 27.-31.05.2019, Nice, France

Permalink: https://www.hzdr.de/publications/Publ-29271
Publ.-Id: 29271


Radiobiology of high dose-rate particle beams

Beyreuther, E.; Karsch, L.; Pawelke, J.
In the past few years, the normal tissue protecting effect of Flash electron irradiation was shown for several endpoints and in different species [1], [2]. Contrary to conventional, clinical beam delivery over minutes, the therapeutic dose is administered within less than 0.5 s by Flash irradiation. Hence, this treatment regime is linked to high mean dose rates of ~100 Gy/s and high pulse dose rates of ≥105 Gy/s, clearly exceeding the parameters of a few Gy/min on time average and of ~ 102 Gy/s within one pulse of conventional, clinical Linacs. Of note, tumors were cured by electron Flash as efficient as by conventional electron beam treatment over minutes [1]. Moreover, the protecting Flash effect was recently validated for photons [3], which promises a general validity of this effect also for other types of clinically used radiation.
First attempts testing the feasibility of proton Flash were conducted at clinical proton beam facilities in France [4] and at the University Proton Therapy Dresden (UPTD), Germany. At UPTD, a setup was established that allows for the irradiation of zebrafish embryo either with dose rates of 100 Gy/s for Flash or of 5 Gy/min for conventional reference. The zebrafish embryo were treated with graded doses up to 40 Gy and embryonic survival as well as the manifestation of morphological abnormalities were followed for up to four days. However, analysing the different endpoints, a clear dependency on dose but no significant dependence on proton dose rate was revealed.
This unexpected result implies, that more studies are needed to resolve the influence on beam time structure for the induction of a protective Flash effect. Here, research facilities like FAIR with a broader parameter space regarding ion species, particle fluence, LET, pulsing and beam time structure provide the possibility to study the physical limits of Flash in more detail. Therewith also questions on a potential influence or interaction of high dose-rate particle beam, high LET and oxygen level of the irradiated tissue could be investigated systematically. The results obtained therein could help to further develop dedicated clinical accelerators, like superconducting or heavy ion synchrotrons, to make clinical use of the Flash effect.



[1] V. Favaudon et al., “Ultrahigh dose-rate FLASH irradiation increases the differential response between normal and tumor tissue in mice,” Sci. Transl. Med., vol. 6, no. 245, p. 245ra93, Jul. 2014.
[2] P. Montay-Gruel et al., “Irradiation in a flash: Unique sparing of memory in mice after whole brain irradiation with dose rates above 100Gy/s,” Radiother. Oncol. J. Eur. Soc. Ther. Radiol. Oncol., vol. 124, no. 3, pp. 365–369, 2017.
[3] P. Montay-Gruel et al., “X-rays can trigger the FLASH effect: Ultra-high dose-rate synchrotron light source prevents normal brain injury after whole brain irradiation in mice,” Radiother. Oncol. J. Eur. Soc. Ther. Radiol. Oncol., vol. 129, no. 3, pp. 582–588, Dec. 2018.
[4] A. Patriarca et al., “Experimental Set-up for FLASH Proton Irradiation of Small Animals Using a Clinical System,” Int. J. Radiat. Oncol. Biol. Phys., vol. 102, no. 3, pp. 619–626, Nov. 2018.
  • Contribution to proceedings
    International Biophysics Collaboration Meeting, 20.-22.05.2019, Darmstadt, Deutschland
    DOI: 10.15120/GSI-2019-00596
  • Lecture (Conference)
    International Biophysics Collaboration Meeting, 20.-22.05.2019, Darmstadt, Deutschland
    DOI: 10.15120/GSI-2019-00596

Permalink: https://www.hzdr.de/publications/Publ-29270
Publ.-Id: 29270


‘Box-Profile’ Ion Implants as Geochemical Reference Materials for Electron Probe Microanalysis and Secondary Ion Mass Spectrometry

Wu, H.ORC; Böttger, R.; Couffignal, F.; Gutzmer, J.ORC; Krause, J.; Munnik, F.ORC; Renno, A.ORC; Hübner, R.; Wiedenbeck, M.; Ziegenrücker, R.ORC
EPMA (Electron Probe Microanalysis) and SIMS (Secondary Ion Mass Spectrometry) are widely used analytical techniques for geochemical and mineralogical applications. Nevertheless, metrologically rigorous quantification remains a major challenge for these methods. SIMS in particular is a matrix-sensitive method; for SIMS the use of matrix-matched reference materials (RMs) is essential in order to avoid significant analytical bias. A major problem is that the list of available RMs for SIMS is vanishingly short compared to the needs of the analyst. One approach for the production of matrix-specific RMs is the use of high-energy ion implantation that introduces a known amount of a selected isotope into a material. We chose the more elaborate way of implanting a so-called ‘box profile’ to generate a quasi-homogeneous concentration of the implanted isotope in three dimensions, which allows RMs not only to be used for ion beam analysis but also makes them suitable for EPMA. For proof of concept, we used the thoroughly studied mineralogically and chemically ‘simple’ SiO2 system, which addresses many interesting scientific challenges, such as the Ti-in-quartz geothermometer (Wark et al. 2006, Thomas et al. 2010). We implanted either 47Ti or 48Ti into synthetic, ultra-high purity silica glass. Several ‘box profiles’ with concentrations between 10 and 1000 µg g-1 Ti and maximum depths of homogeneous Ti distribution between 200 nm and 3 µm were produced at the Institute of Ion Beam Physics and Materials Research of Helmholtz-Zentrum Dresden-Rossendorf (HZDR). Multiple implantation steps using varying ion energies and ion doses were simulated with the SRIM (Stopping and Range of Ions in Matter) software (Ziegler et al. 2008), optimizing for the target concentrations, implantation-depths and technical limits of the implanter.
We characterized several implant test-samples having different concentrations and maximum implantation depths by means of SIMS and other analytical techniques. The results show that the implant samples are suitable for use as reference materials for SIMS measurements. The multi-energy ion implantation technique also looks to be very promising procedure for the production of EPMA-suitable reference materials.
Keywords: ‘box-profile’, multi-energy ion implantation, EPMA, SIMS, synthetic reference material.

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  • Secondary publication expected from 07.06.2020

Permalink: https://www.hzdr.de/publications/Publ-29269
Publ.-Id: 29269


Multi-Sensor Spectral Imaging of Geological Samples: A Data Fusion Approach using Spatio-Spectral Feature Extraction

Lorenz, S.; Seidel, P.; Ghamisi, P.; Zimmermann, R.ORC; Tusa, L.; Khodadadzadeh, M.; Contreras, I. C.; Gloaguen, R.ORC
Spectral imaging or hyperspectral reflectance mapping for mineral exploration sample analysis has evolved rapidly in the recent decade. A wide range of deployable sensors is available nowadays, providing high flexibility in spectral as well as in spatial resolution and coverage. However, the fusion of data from different customized setups and sensors is challenging and usually not conducted. In the following study, the integration of such multi-sensor datasets is demonstrated on data acquired from five commercially available hyperspectral sensors and a pair of RGB cameras. We present a workflow for the integrated image analyses using advanced machine learning methods and evaluate the procedure on a representative set of geological samples. Detailed mineralogical and spectral validation affirms the approach. The suggested workflow provides a new way for the integration of multi-source data, e.g., it allows a straight-forward integration of visible/near-infrared (VNIR), short-wave infrared (SWIR) and long-wave infrared (LWIR) data for sensors with highly different spatial and spectral resolution. Finally, we evaluate the benefits of different multi-sensor combinations for potential applications in mineral exploration.
Keywords: hyperspectral; spectral imaging; multi-sensor data; data fusion; feature extraction; Support Vector Machine (SVM); Orthogonal Total Variation Component Analysis (OTVCA); mineral exploration

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Permalink: https://www.hzdr.de/publications/Publ-29268
Publ.-Id: 29268


Focused ion beam modification of non-local magnon-based transport in yttrium iron garnet/platinum heterostructures

Schlitz, R.; Helm, T.ORC; Lammel, M.; Nielsch, K.; Erbe, A.; Goennenwein, S. T. B.
We study the impact of Ga ion exposure on the local and non-local magnetotransport response in heterostructures of the ferrimagnetic insulator yttrium iron garnet and platinum. In particular, we cut the yttrium iron garnet layer in between two electrically separated wires of platinum using a Ga ion beam, and study the ensuing changes in the magnetoresistive response. between the Pt wires is fully cut, although the local spin Hall magnetoresistance signal remains finite. This observation corroborates the notion that pure spin currents carried by magnons are crucial for the non-local magnetotransport effects observed in magnetic insulator/metal nanostructures and that possible substrate contributions to the non-local transport can be ruled out.
Keywords: nano magnetism, spin transport, focussed ion beam

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Permalink: https://www.hzdr.de/publications/Publ-29267
Publ.-Id: 29267


Superconductivity in single-crystalline aluminum- and gallium-hyperdoped germanium

Prucnal, S.; Heera, V.; Hübner, R.; Wang, M.ORC; Mazur, G. P.; Grzybowski, M. J.; Qin, X.; Yuan, Y.; Voelskow, M.; Skorupa, W.; Rebohle, L.; Helm, M.; Sawicki, M.; Zhou, S.ORC
Superconductivity in group IV semiconductors is desired for hybrid devices combining both semiconducting and superconducting properties. Following boron-doped diamond and Si, superconductivity has been observed in gallium-doped Ge; however, the obtained specimen is in polycrystalline form [Phys. Rev. Lett. 102, 217003 (2009)]. Here we present superconducting single-crystalline Ge hyperdoped with gallium or aluminum by ion implantation and rear-side flash lamp annealing. The maximum concentration of Al and Ga incorporated into substitutional positions in Ge is 8 times higher than the equilibrium solid solubility. This corresponds to a hole concentration above 1021 cm−3. Using density functional theory in the local-density approximation and pseudopotential plane-wave approach, we show that the superconductivity in p-type Ge is phonon mediated. According to the ab initio calculations, the critical superconducting temperature for Al- and Ga-doped Ge is in the range of 0.45 K for 6.25at.% of dopant concentration, being in qualitative agreement with experimentally obtained values.
Keywords: superconductivity, ion implantation, Germanium, flash lamp annealing

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Permalink: https://www.hzdr.de/publications/Publ-29266
Publ.-Id: 29266


Antimonite binding to natural organic matter: Spectroscopic evidence from a mine water impacted peatland

Besold, J.; Eberle, A.; Noël, V.; Kujala, K.; Kumar, N.; Scheinost, A.; Lezama Pacheco, J.; Fendorf, S.; Planer-Friedrich, B.
Peatlands and other wetlands are sinks for antimony (Sb). Solid natural organic matter (NOM) has thus been suggested to play an important role in controlling Sb binding in wetland sediments. However, direct spectroscopic evidence for this sequestration mechanism in natural peat samples is still lacking. In order to investigate Sb binding in peat, we sampled and characterized three profiles up to a depth of 80 cm in an Sb-impacted peatland in northern Finland. We used bulk K-edge X-ray absorption spectroscopy to study the speciation of Fe, S and Sb in the peat solid phase. Additionally, we determined the aqueous speciation of Sb in surface and pore waters. Based on linear combination fittings of extended X-ray absorption fine structure spectra, we found that Sb associated to the solid-phase is up to 100% coordinated to organic phenol and/or thiol groups. Even in the presence of iron, organically-bound Sb(III) was the dominant fraction in all peat profiles and across all depths. While aqueous antimonite concentrations were low, Sb(III) species were dominating solid-phase speciation, suggesting a high reactivity of Sb(III) towards peat surfaces. Our findings therefore confirm that Sb binding to solid NOM acts as an important sequestration mechanism under reducing conditions in NOM-rich wetlands.
Keywords: EXAFS sulfur iron antimony peat

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  • Secondary publication expected from 22.08.2020

Permalink: https://www.hzdr.de/publications/Publ-29265
Publ.-Id: 29265


Monolithic waveguide laser mode-locked by embedded Ag nanoparticles operating at 1 μm

Li, R.; Pang, C.; Li, Z.; Dong, N.; Wang, J.; Ren, F.; Akhmadaliev, S.; Zhou, S.ORC; Chen, F.
Monolithic waveguide laser devices are required to achieve on-chip lasing. In this work, a new design of a monolithic device with embedded Ag nanoparticles (NPs) plus the Nd:YAG ridge waveguide has been proposed and implemented. By using Ag+ ion implantation, the embedded Ag NPs are synthesized on the near-surface region of the Nd:YAG crystal, resulting in the significant enhancement of the optical nonlinearity of Nd:YAG and offering saturable absorption properties of the crystal at a wide wavelength band. The subsequent processing of the O5+ ion implantation and diamond saw dicing of crystal finally leads to the fabrication of monolithic waveguide with embedded Ag NPs. Under an optical pump, the Q-switched mode-locked waveguide lasers operating at 1 μm is realized with the pulse duration of 29.5 ps and fundamental repetition rate of 10.53 GHz, owing to the modulation of Ag NPs through evanescent field interaction with waveguide modes. This work introduces a new approach in the application of monolithic ultrafast laser devices by using embedded metallic NPs.

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Permalink: https://www.hzdr.de/publications/Publ-29264
Publ.-Id: 29264


Ion acceleration from ultra-thin foil targets with on-shot monitored temporal contrast

Ziegler, T.ORC; Bernert, C.; Brack, F.-E.ORC; Bussmann, M.ORC; Cowan, T.ORC; Garten, M.ORC; Kluge, T.ORC; Kraft, S.ORC; Kroll, F.ORC; Metzkes-Ng, J.ORC; Obst-Hübl, L.ORC; Rehwald, M.ORC; Schlenvoigt, H.-P.ORC; Schramm, U.ORC; Zeil, K.
Laser-driven ion acceleration promises to provide a compact solution for demanding applications like particle therapy, proton radiography or inertial confinement research. Controlling the particle beam parameters to achieve these goals is currently pushing the frontier of laser driven particle accelerators.

The performance of the plasma acceleration is strongly dependent on the complex pre-plasma formation process at the target front surface which is determined by the temporal intensity contrast. Particularly low-density targets require an enhanced temporal contrast to remain overcritical until the main pulse arrives. Plasma mirror setups have proven to significantly improve the temporal contrast by reducing pre-pulse intensity and steepening the rising edge of the main laser pulse, enabling the investigation of laser proton acceleration and proton energy scaling using ultra-thin targets.

We present new experimental results on the interaction of the DRACO Petawatt ultra-short pulse laser with ultra-thin foil targets. Efficient and on-demand contrast cleaning established through a re-collimating plasma mirror setup facilitated thickness scans from the µm range down to several tens of nm. The combination of a complex set of diagnostics, consisting of proton detectors in target normal, laser forward and laser backward axis, laser pulse transmission and reflection diagnostics as well as detection of front surface electrons, delivered concrete indicators for the acceleration conditions. Furthermore, tremendous progress has been achieved by successfully implementing a novel laser contrast diagnostic by means of self-referenced spectral interferometry with extended time excursion (SRSI-ETE), allowing to characterize the temporal contrast in the experimental area on a single-shot base with unprecedented dynamic and temporal range.
  • Lecture (Conference)
    Laser-Plasma Accelerator Workshop 2019, 05.-10.05.2019, Split, Kroatien

Permalink: https://www.hzdr.de/publications/Publ-29263
Publ.-Id: 29263


Beam quality optimization in a beam loaded nanocoulomb-class laser wakefield accelerator

Couperus Cabadağ, J. P.ORC; Köhler, A.ORC; Zarini, O.ORC; Pausch, R.ORC; Debus, A.ORC; Chang, Y.-Y.; Kurz, T.ORC; Schöbel, S.; Bussmann, M.ORC; Schramm, U.ORC; Irman, A.ORC
Here we report on optimization of both energy spread and beam divergence in a laser wakefield accelerator (LWFA) operating in the beam loading regime. The self-truncated ionization injection scheme is employed, enabling a precise control over the amount of injected electrons with charges up to 0.5 nC (FWHM) at a quasi-monoenergetic peak.
By employing the optimal beam loading condition, the accelerating gradient is flattened and we eliminate additional energy spread contribution from the acceleration process1,2. This point of minimized finite energy spread is used to limit the betatron oscillations of bunch electrons, leading to a decrease of the normalized beam divergence. Meanwhile, an ultrafast single-shot electron beam diagnostic based on Coherent Transition Radiation reveals ~10 femtosecond bunch lengths yielding peak currents of over 10 kA. Such peak currents are one to two orders of magnitude larger than those found in conventional RF accelerators. Control of the energy spread and beam divergence of LWFA beams with the beam loading condition together with the scaling to high peak currents paves the road for driving secondary superradiant lights sources.

References:
1. J.P. Couperus, et.al., “Demonstration of a beam loaded nanocoulomb-class laser wakefield accelerator”, Nature Communication, 8, 487 (2017)
2. A. Irman et al., “Improved performance of laser wakefield acceleration by tailored self-truncation ionization injection”, Plasma Physics and Controlled Fusion, 60, 044015 (2018)
Keywords: beam loading; plasma acceleration; electron acceleration; LWFA; laser wakefield acceleration; LPA; betatron
  • Lecture (Conference)
    Laser-Plasma Accelerator Workshop (LPAW) 2019, 05.-10.05.2019, Split, Republika Hrvatska
  • Poster
    4th European Advanced Accelerator Concepts Workshop, 15.-21.09.2019, Isola d'Elba, Repubblica Italiana

Permalink: https://www.hzdr.de/publications/Publ-29262
Publ.-Id: 29262


Laser-driven proton beam profiles in ultra-high fields

Obst-Hübl, L.ORC; Bernert, C.; Brack, F.-E.ORC; Branco, J.; Bussmann, M.ORC; Cochran, G.; Cowan, T.ORC; Curry, C. B.; Gaus, L.; Fiuza, F.; Garten, M.ORC; Gauthier, M.; Glenzer, S. H.; Göde, S.; Hübl, A.ORC; Irman, A.ORC; Kim, J. B.; Kluge, T.ORC; Kraft, S.ORC; Kroll, F.ORC; Macdonald, M. J.; Metzkes-Ng, J.ORC; Mishra, R.; Pausch, R.ORC; Poole, P.; Prencipe, I.; Rehwald, M.ORC; Rödel, C.; Ruyer, C.; Schlenvoigt, H.-P.ORC; Sommer, P.; Schoenwalder, C.; Schumaker, W.; Ziegler, T.ORC; Schramm, U.ORC; Schumacher, D. W.; Zeil, K.
Extreme field gradients intrinsic to relativistic laser-interactions with thin solid targets enable compact multi-MeV proton accelerators with unique bunch characteristics. Protons are accelerated in TV/m fields that are established within the micrometer-scale vicinity of the high-power laser focus. This initial acceleration phase is followed by ballistic proton bunch propagation with negligible space-charge effects over millimeters to hundreds of centimeters to the particle detector or a proton target at a dedicated irradiation site. The detected proton emission distribution can be influenced by the spatio-temporal intensity distribution in the laser focus, electron transport through the target, potential plasma instabilities, as well as local and global target geometry and surface properties.
Substantially extending this picture, our recent results show a critical influence of the milimeter scale vacuum environment on the accelerated proton bunch, where residual gas molecules are ionized by the remnant laser light that is not absorbed into the target plasma but reflected or transmitted. In an experiment with µm-sized hydrogen jet targets, this effect lead to the counter-intuitive observation of laser near-field feature imprints in the detected proton beam profiles. Our results show that the remnant laser pulse induces a quasi-static deflecting field map in the ionized residual background gas that serves as a memorizing medium and allows for asynchronous information transfer to the naturally delayed proton bunch. Occurring under typical experimental laser, target and vacuum conditions, all-optical imprinting needs to be taken into account for sensible interpretation of modulated proton beam profiles.
Keywords: laser-driven plasmas, high-power lasers, novel accelerator concepts, laser-ion acceleration, plasma mirrors
  • Invited lecture (Conferences)
    Laser Plasma Accelerator Workshop 2019, 05.-10.05.2019, Split, Kroatien
  • Lecture (others)
    Seminar talk, 27.06.2019, London, United Kingdom

Permalink: https://www.hzdr.de/publications/Publ-29261
Publ.-Id: 29261


First demonstration of a hybrid laser-electron-beam driven plasma wakefield accelerator

Kurz, T.ORC; Heinemann, T.; Schöbel, S.; Couperus Cabadağ, J. P.ORC; Kononenko, O.; Chang, Y.-Y.; Bussmann, M.ORC; Corde, S.ORC; Debus, A.ORC; Ding, H.ORC; Döpp, A.ORC; Gilljohann, M. F.; Hidding, B.; Karsch, S.ORC; Köhler, A.ORC; Pausch, R.ORC; Zarini, O.ORC; Schramm, U.ORC; Martinez De La Ossa, A.ORC; Irman, A.ORC
Plasma based electron acceleration is widely considered as a promising concept for a compact electron accelerator with broad range of future applications from high energy physics to photon science.
These accelerators can be powered by either ultra-intense laser beams (LWFA) or relativistic high-current-density particle beams (PWFA).
Here, we report on a novel approach which combines both schemes in a truly compact experimental setup.
In our “LWFA + PWFA” hybrid accelerator, the electron beam generated by a LWFA stage drives a subsequent PWFA stage where a witness beam is trapped and accelerated.
This strategy aims to combine the unique features of both plasma acceleration techniques, the LWFA stage provides with a compact source of high-current electron beams required as PWFA drivers, while the PWFA stage acts as an energy and brightness transformer for the LWFA output.
In this work, we show the first experimental evidence of accelerating a distinct witness bunch in a LWFA-driven PWFA (LPWFA), within only about one millimeter acceleration distance.
In the beam self-ionizing case, we observe witness energies of around 50 MeV.
By utilizing a counter-propagating pre-ionization laser, the interaction with the plasma becomes stronger, increasing the final energies to around 120 MeV.
Thus, yielding a field gradient of (46+-11) GeV/m which is comparable to what has been shown at large scale facilities.
Keywords: Laser Plasma Accelerator Hybrid Electron beam Peak Current
  • Lecture (Conference)
    Laser-Plasma Accelerator Workshop 2019, 05.-10.05.2019, Split, Kroatien

Permalink: https://www.hzdr.de/publications/Publ-29260
Publ.-Id: 29260


Synthetic radiation diagnostics as a pathway for studying plasma dynamics from advanced accelerators to astrophysical observations

Pausch, R.ORC
In this thesis, two novel diagnostic techniques for the identi1cation of plasma dynamics and thequanti cation of essential parameters of the dynamics by means of electromagnetic plasmaradiation are presented. Based on particle-in-cell simulations, both the radiation signatures of micrometer-sized laser plasma accelerators and light-year-sized plasma jets are simulated with the same highly parallel radiation simulation framework, in-situ to the plasma simulation.
The basics and limits of classical radiation calculation, as well as the theoretical and technical foundation of modern plasma simulation using the particle-in-cell method, are brie2y introduced. The combination of previously independent methods in an in-situ analysis code as well as its validation and extension with newly developed algorithms for the simultaneous quantitative prediction of both coherent and incoherent radiation and the prevention of numerical artifacts is outlined in the initial chapters.
For laser wake1eld acceleration, a hitherto unknown off-axis beam signature is observed,which can be used to identify the so-called blowout regime during laser defocusing. Since signi cant radiation is emitted only after the minimum spot size is reached, this signature is ideally suited to determine the laser focus position itself in the plasma to below 100 _m and thus to quantify the in2uence of relativistic self-focusing. A simple semi-analytical scattering model was developed to explain the blowout radiation signature. The spectral signature predicted by the model is veri1ed using both a large-scale explorative simulation and a simulation parameter study, based on an experiment conducted at the HZDR. Identi1ed by the simulations, a temporal asymmetry in the scattered laser light, which cannot be described by state of the art quasi-static models of the blowout regime, makes it possible to determine the focus position precisely by using this radiation signature.
For the so-called Kelvin-Helmholtz instability, a polarization signature is identi1ed that allows both identifying the linear phase of the instability and quantifying its most important parameter, the growth rate. This plasma instability is suspected to occur in the shear region between plasma jets of active galactic nuclei or supernova remnants and the surrounding plasma and causes strong magnetic 1elds to grow along the shear surface. The measurement of the growth rate of these elds allows deducing the internal structure and dynamics of these jets and gaining an insight into previously inaccessible regions. A microscopic model of the electron dynamics was developed which describes the main radiation properties. With an unprecedentedly large and accurate simulation of the relativistic Kelvin-Helmholtz instability, the microscopic model was validated. The discovered polarization signature can be clearly identi1ed even under arbitrary Lorentz transformations for observers on Earth and poses thus an ideal method for astronomical observations.
These very different physical scenarios clearly exemplify the possibilities of synthetic radiation diagnostics and represent the 1rst step towards future explorative studies of plasmas and their radiation in other scenarios using simulations.
Keywords: PhD defense
  • Lecture (others)
    Disputation, 25.03.2019, Dresden, Deutschland
  • Doctoral thesis
    TU Dresden / HZDR, 2019
    173 Seiten
  • Open Access Logo Wissenschaftlich-Technische Berichte / Helmholtz-Zentrum Dresden-Rossendorf; HZDR-107 2019

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Permalink: https://www.hzdr.de/publications/Publ-29259
Publ.-Id: 29259


Modeling hybrid plasma accelerator experiments with PIConGPU

Pausch, R.ORC; Bussmann, M.ORC; Garten, M.ORC; Hübl, A.ORC; Steiniger, K.ORC; Widera, R.ORC; Kurz, T.ORC; Schöbel, S.; Chang, Y.-Y.; Couperus Cabadağ, J. P.ORC; Köhler, A.ORC; Zarini, O.ORC; Heinemann, T.; Ding, H.; Döpp, A.; Gilljohann, M. F.; Kononeko, O.; Raj, G.; Corde, S.; Hidding, B.; Karsch, S.; Martinez De La Ossa, A.; Irman, A.ORC; Schramm, U.ORC; Debus, A.ORC
Utilizing laser-wakefield accelerated (LWFA) electrons to drive aplasma-wakefield accelerator (PWFA) holds great promise for realizingcentimeter-scale electron accelerators providing ultra-high brightnessbeams. Recent experiments at HZDR could demonstrate for the first timesuch an electron acceleration in a nonlinear PWFA plasma wakefield. Fordriving this compact hybrid accelerator setup, high-charge electronbunches from LWFA self-truncated ionization injection were used.In this talk, we present recent results of the accompanying simulationcampaign performed with the 3D3V particle-in-cell code PIConGPU. Thesesimulations model the geometry, density distributions, laser modes, andgas dopings as determined in the experiments. The simulation conditionsresemble the experiment to a very high degree and thus provide goodcomparability between experiment and simulation. Additionally, thewealth of information provided by the in-situ data analysis of PIConGPU provides insight into the plasma dynamics, otherwise inaccessible inexperiments.From an algorithmic and computational perspective, we modeled the hybridaccelerator from start to end in a single simulation scenario. Wediscuss the associated challenges in maintaining numerical stability andexperimental comparability of these long-duration simulations.
Keywords: LPWFA, hybrid, PIConGPU
  • Lecture (Conference)
    Laser-Plasma AcceleratorWorkshop 2019, 05.-10.05.2019, Split, Croatia

Permalink: https://www.hzdr.de/publications/Publ-29258
Publ.-Id: 29258


Hybrid plasma accelerators - LWFA-PWFA simulations with PIConGPU

Pausch, R.ORC; Debus, A.ORC; Garten, M.ORC; Hübl, A.ORC; Steiniger, K.ORC; Widera, R.ORC; Kurz, T.ORC; Schöbel, S.; Couperus Cabadağ, J. P.ORC; Irman, A.ORC; Schramm, U.ORC; Bussmann, M.ORC
Utilizing laser-wakefield accelerated (LWFA) electrons to drive a plasma-wakefield accelerator (PWFA) holds great promise for realizing centimeter-scale electron accelerators providing ultra-high brightness beams. Recent experiments at HZDR could demonstrate for the first time such an electron acceleration in a nonlinear PWFA plasma wakefield using this compact setup.

On this poster, we show recent results of the accompanying simulation campaign performed with the 3D3V particle-in-cell code PIConGPU. These simulations model the geometry, density distributions, laser modes, and gas dopings as determined in the experiments. The simulation conditions resemble the experiment to a very high degree and thus provide precise comparability between experiment and simulation. Additionally, the wealth of information provided by the in-situ data analysis of PIConGPU provides insight into the plasma dynamic, otherwise inaccessible in experiments. Algorithmic and computational challenges essential for the numerical stability of these long-duration simulations will be presented as well.
Keywords: PIConGPU, LPWFA, hybrid, ISAAC
  • Poster
    The fifth annual meeting of the programme "Matter and Technologies", 05.-07.03.2019, Jena, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29257
Publ.-Id: 29257


Approaching predictive capabilities for LWFA experiments with PIConGPU

Pausch, R.ORC; Couperus Cabadağ, J. P.ORC; Garten, M.ORC; Hübl, A.ORC; Köhler, A.ORC; Kurz, T.ORC; Schöbel, S.; Schramm, U.ORC; Steiniger, K.ORC; Widera, R.ORC; Zarini, O.ORC; Irman, A.ORC; Bussmann, M.ORC; Debus, A.ORC
State-of-the-art particle-in-cell simulations are becoming faster in terms of time to solution by utilizing modern hardware accelerators like GPUs and more accurate by improving the underlying algorithms. However, in order to model experiments, methods to include realistic laser pulses and gas distributions as well as efficient techniques to predict experimental observables, so-called synthetic diagnostics, need to be included in these simulations.

In this talk, we present extensions to the particle-in-cell code PIConGPU that were essential to accurately model LWFA experiments based on self-truncated ionization injection performed at HZDR. We discuss the significant impact of the implementation of higher order laser modes on the plasma dynamics and the resulting acceleration process. Furthermore, we discuss in detail the advantage of efficient in situ data analysis on the example of studying electron phase space evolution and of predicting spectrally and directionally radiation emission by all particles.

These improvements set the stage for quantitatively predicting the results of experiments in the near future.
Keywords: PIConGPU, LWFA, radiation, synthetic diagnostics
  • Lecture (Conference)
    DPG-Frühjahrstagung der Sektion Materie und Kosmos (SMuK), 18.-22.03.2019, München, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29256
Publ.-Id: 29256


Radiation imprint of ultra-intense laser heating of solids

Garten, M.ORC; Hübl, A.ORC; Widera, R.ORC; Göthel, I.; Obst-Hübl, L.ORC; Ziegler, T.ORC; Zeil, K.; Cowan, T.ORC; Schramm, U.ORC; Bussmann, M.ORC; Kluge, T.ORC
Laser-accelerated ions are increasingly recognized as a promising alternative to conventionally accelerated ion beams. Possible applications range from fast ignition in laser fusion to ion tumor therapy as well as studies of transient high-current and high-field phenomena in laboratory astrophysics and material science. A combination of ultra-short duration and very high charge density is the most sought-after characteristic of these beams which are produced in the violent interaction of an ultra-intense short pulse laser with a solid target. We have performed the – to our knowledge – very first full 3D particle-in-cell simulations of this interaction that includes the picosecond time span prior to the arrival of the main laser pulse. This time period is thought to be decisive for the following main pulse interaction, yet it is poorly explored – partly due to the immense computational needs to resolve the plasma kinetically with full precision. Here, we bridge scales hitherto inaccessible, from attosecond plasma oscillations over few-femtosecond laser oscillations and transient, non-equilibrium plasma dynamics on the tens of femtosecond laser duration to picosecond pre-plasma development. We study the influence of pre-pulse laser conditions and material on the ion acceleration performance. Additionally, we aim to infer radiative signatures of the plasma dynamics and link them to isochoric heating, instability development, and other complex dynamics. Beyond gaining a fundamental understanding of the governing fundamental principle plasma dynamics, the results will be used in the ongoing development of novel diagnostics analyzing the bremsstrahlung and synchrotron radiation in order to experimentally probe the sub-ps interaction. The simulations have been performed at Piz Daint at CSCS, Switzerland, using the 3D particle-in-cell code PIConGPU developed at HZDR.
Keywords: laser ion acceleration, laser-driven proton sources, particle-in-cell, PIConGPU, openPMD, HPC, throughput, PRACE, CSCS, Piz Daint
  • Invited lecture (Conferences)
    EuroHPC Summit Week 2019 / PRACEdays19, 13.-17.05.2019, Poznań, Polska

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Permalink: https://www.hzdr.de/publications/Publ-29255
Publ.-Id: 29255


Synthetic radiation simulations as a path to study the relativistic Kelvin-Helmholtz instability in interstellar jets

Pausch, R.ORC; Bussmann, M.ORC; Hübl, A.ORC; Schramm, U.ORC; Steiniger, K.ORC; Widera, R.ORC; Debus, A.ORC
The relativistic Kelvin-Helmholtz instability (KHI) is expected in shear flow regions of astrophysical plasma jets originating from AGNs and SNR. It generates magnetic fields that influence the jet dynamics significantly.

We present 3D3V particle-in-cell simulations of unprecedented resolution and extent that not only allow studying the plasma dynamics during the KHI but also making quantitative predictions on the emitted radiation. We present a diagnostic method that allows identifying the linear phase of the instability via a polarization anisotropy observable light years away on Earth and to quantify the growth rate of the instability.

A microscopic model, that describes the fundamental origin of the radiation signature, will be covered in detail during the talk. Technical aspects relevant for performing these large-scale simulations with the particle-in-cell code PIConGPU and for making quantitative predictions with synthetic radiation diagnostics, based on Liénard-Wiechert potentials, will be discussed, and observation limits both for interstellar jets and in lab astrophysics experiments will be covered.
Keywords: KHI, PIConGPU, radiation, synthetic diagnostics, polarization, AGN, SNR
  • Invited lecture (Conferences)
    DPG-Frühjahrstagung der Sektion Materie und Kosmos (SMuK), 18.-22.03.2019, München, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29254
Publ.-Id: 29254


Large-scale simulations of plasma acceleration

Pausch, R.ORC; Hübl, A.ORC; Bastrakov, S.ORC; Debus, A.ORC; Garten, M.ORC; Matthes, A.ORC; Steiniger, K.ORC; Schramm, U.ORC; Widera, R.ORC; Zenker, E.; Bussmann, M.ORC
A brief presentation of the MuT/DMA activities of the Computational radiation group and solutions that might be of interest for the Matter in the Universe community.
Keywords: DMA, MUT, ARD, PIConGPU, alpaka
  • Lecture (Conference)
    "Matter and the Universe" Days 2019, 14.-15.02.2019, Hamburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29253
Publ.-Id: 29253


From studying the self-truncated ionization injection during LWFA to hybrid LPWFA simulations

Pausch, R.ORC; Debus, A.ORC; Bussmann, M.ORC; Couperus Cabadağ, J. P.ORC; Garten, M.ORC; Heinemann, T.; Hübl, A.ORC; Martinez De La Ossa, A.; Irman, A.ORC; Kurz, T.ORC; Schöbel, S.; Steiniger, K.ORC; Schramm, U.ORC
This talk gives a brief summary of the current status of the start-to-end simulations of the hybrid LPWFA setup using PIConGPU.
Keywords: PIConGPU, hybrid, LPWFA, LWFA, PWFA
  • Lecture (others)
    hybrid collaboration meeting, 09.-11.01.2019, Hamburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-29252
Publ.-Id: 29252


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