Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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35836 Publications

Evaluation of liquid hold-up in a rotating packed bed for high gravity fluid separation using process-synchronized gamma-ray computed tomography

Groß, K.; Bieberle, A.; Gladyszewski, K.; Schubert, M.; Skiborowski, M.; Hampel, U.; Górak, A.; (Editors)

A Rotating Packed Bed (RPB) is a compact and flexible fluid separation equipment, which utilizes a centrifugal forces to achieve enhanced mass and energy transfer between a liquid and a vapour phase, brought in contact within a porous rotating packing. In order to perform a reliable design and scale-up of RPBs, detailed knowledge about the hydrodynamics and flow mechanisms within the equipment is strongly required. However, due to the non-transparent solid casing, such insight cannot be generated by common analytics. In the present study, liquid hold-up and gas-liquid phase distribution are determined in a porous metal foam packing of 450 mm diameter installed in a pilot-scale RPB using a high-energetic gamma-ray computed tomography (CT). The CT system consists of an isotopic source Cs 137 and an in-house developed radiation detector comprising 320 scintillation detector elements operated in photon counting mode in order to detect each single gamma photon. In particular, the liquid hold-up distribution and the lateral spreading behaviour is visualized and analysed relative to the motion of the rotating packing applying conventional CT scanning and a time-averaged angular-resolved CT scanning procedure, respectively.

Keywords: Fluid Separation; High Gravity Equipment; Rotating Packed Beds; Gamma-Ray Computed Tomography; Process-Synchronized Imaging

  • Contribution to proceedings
    World Congress on Industrial Process Tomography, 02.-06.09.2018, Bath, UK
  • Lecture (Conference)
    World Congress on Industrial Process Tomography, 02.-06.09.2018, Bath, UK

Permalink: https://www.hzdr.de/publications/Publ-27562
Publ.-Id: 27562


Compact high energy x-ray spectrometer based on forward Compton scattering for high intensity laser plasma experiments

Singh, S.; Versaci, R.; Laso Garcia, A.; Morejon, L.; Ferrari, A.; Molodtsova, M.; Schwengner, R.; Kumar, D.; Cowan, T.

This article describes the design and presents recent results from testing and calibration of a forward Compton scattering gamma-ray spectrometer. The calibration was performed using a bremsstrahlung source on the photon scattering facility at the ELBE accelerator at Helmholtz-Zentrum Dresden-Rossendorf, which provides gamma-ray photons with energies up to 18 MeV. The calibration was conducted at different bremsstrahlung end point energies - 10.5, 13, 15 and 18 MeV. Experimental spectra show systematic increase in the maximum energy, photon temperature and flux. The spectrometer is effective for an energy range of 4 to 20 MeV with 20 to 30% energy resolution. The article also describes the design and shielding considerations which helped to achieve a dynamic range greater than 30 with this spectrometer. The comparison between experimental results and Monte Carlo simulations are also presented.

Keywords: bremsstrahlung; photon scattering; gamma rays; Compton spectrometer

Permalink: https://www.hzdr.de/publications/Publ-27561
Publ.-Id: 27561


Modification of the perpendicular anisotropy in synthetic antiferromagnets by global and local ion beam irradiation

Lenz, M.; Koch, L.; Samad, F.; Arekapudi, P.; Fallarino, L.; Hellwig, O.

We investigate sputter deposited synthetic antiferromagnets consisting of Co/Pt multilayers with perpendicular anisotropy. Repeated multilayer-blocks are antiferromagnetically coupled to each other via Ru interlayers. This complex sample structure allows an exact tuning of the energy contributions perpendicular anisotropy, interlayer exchange and demagnetization: Varying repeats within the Co/Pt multilayers (X) or a different number of multilayer-blocks (N) lead to various magnetic phases and 3-dimensional textures [1].
By ion beam irradiation we can change the balance of these energy contributions due to an intermixing at the interfaces. With this we can realize various magnetic phases within one and the same sample and by local irradiation we can even achieve a lateral coexistence of different magnetic phases.
We will present our investigations of globally and locally irradiated synthetic antiferromagnet’s field reversal behaviour, using vibrating sample magnetometry and high resolution magnetic force microscopy.
[1] O. Hellwig et al., J. Magn. Magn. Mater. 319, 13 (2007)

  • Poster
    Joint European Magnetic Symposia (JEMS), 03.-07.09.2018, Mainz, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27560
Publ.-Id: 27560


Parametric resonances in periodically perturbed dynamo models

Giesecke, A.; Stefani, F.

I present results on kinematic dynsamo models driven by an axisymmetric large scale flow impacted by periodic perturbations due to azimuthally propagating vortices. I found a strong impact on growth rates and frequencies with regimes of parametric resonances whenn the frequency of the perturbation is twice the frequency of the unperturbed case. These models behave similar to rotating mechanical systems subject to periodic distortions that are described by the Matthieu equation. A possible application are dynamo experiments like VKS dynamo in Cadarache or convection driven planetary dynamos that are influenced by tidal forces.

Keywords: dynamo; DRESDYN

  • Lecture (Conference)
    Planetary-Stellar Connection: The Sun's Lesson, 07.-09.05.2018, Freiburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27559
Publ.-Id: 27559


Advanced correction algorithms for ultrafast X-ray computed tomography

Bieberle, M.; Wagner, M.; Gücker, F.; Neumann, M.; Hampel, U.

Ultrafast electron beam X-ray computed tomography is a unique imaging technique for the investigation of multiphase flows. It provides high-resolution cross-sectional images at rates of up to 4,000 fps from two tomography planes, which also allows axial velocities to be determined. As is typical for such complex measurement systems, there are several physical effects leading to deviations from the ideal imaging system. On the one hand, these are deviations associated to X-ray computed tomography (CT) in general, such as photon scattering and beam hardening. On the other hand, there are several effects originating from the electron beam deflection, which are in particular related to electron beam X-ray CT. For example, some uncertainties about the final size and position of the X-ray focal spot path on the target are remaining. This paper addresses effects and corresponding practical correction algorithms for both categories. Scattering and beam hardening as interlinked phenomena are treated by correction based on fast ray-tracing in-plane simulations. The topic of focal spot path uncertainties has been analysed in detail with respect to different parameters. The problem is tackled with two approaches. The first approach searches the correct angular positions of the X-ray focal spot on the target by maximizing the grey value variance in the resulting reconstructed images. The second approach evaluates the resulting distance map between the two imaging planes by combining simulated distributions with measured values.

Keywords: correction algorithms; image reconstruction; ultrafast; X-ray CT

  • Contribution to proceedings
    9th World Congress on Industrial Process Tomography (WCIPT9), 02.-06.09.2018, Bath, United Kingdom
    Proceedings of the 9th World Congress on Industrial Process Tomography
  • Lecture (Conference)
    9th World Congress on Industrial Process Tomography (WCIPT9), 02.-06.09.2018, Bath, United Kingdom

Permalink: https://www.hzdr.de/publications/Publ-27558
Publ.-Id: 27558


Local structural effects of Eu3+ incorporation into xenotime-type solid solutions with different host cations

Xiao, B.; Lösch, H.; Huittinen, N.; Schmidt, M.

In this study, the effect of host cations on the local structure around the dopant site of materials from the xenotime family is systematically studied on the molecular level. A series of six Eu3+-doped xenotime-type single crystals (Tb, Y, Ho, Er Yb, and LuPO4) have been grown and spectroscopically analyzed using polarization−dependent laser−induced luminescence spectroscopy (p−TRLFS). Our results demonstrate that the structural disorder changes in a non-linear manner with a structural break between Yb3+ and Lu3+. Despite adopting identical crystal structures, the solid solutions of these materials vary significantly, and differ from monazite solid solutions. Similar Eu3+ incorporation behavior with a strongly distorted dopant site is found for the early members of the xenotime family, while LuPO4 with the largest host vs. dopant radii mismatch is anomalous in that it contains the most symmetrical lattice site. This goes along with a significantly stronger crystal field, indicating a shorter Eu – O bond distance, as well as a strong vibronic coupling to external translational lattice vibrations. The p−TRLFS analysis confirms the breakdown of the crystallographic site symmetry from D2d to C1 in YPO4, whereas a small distortion of the crystallographic site in LuPO4 results in an S4 point symmetry for the Eu3+ cation. The lattice with the smallest cation host site is no longer sufficiently flexible to make room for Eu3+ and instead “forces” the guest ion to occupy a less distorted Lu3+ site.

Keywords: Xenotime; Incorporation; TRLFS; Luminescence; Eu3+

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Permalink: https://www.hzdr.de/publications/Publ-27557
Publ.-Id: 27557


Temporal Evolution of Calcite Surface Dissolution Kinetics

Bibi, I.; Arvidson, R. S.; Fischer, C.; Luttge, A.

This brief paper presents a rare dataset: a set of quantitative, topographic measurements of a dissolving calcite crystal over a relatively large and fixed field of view (~400 μm) and long total reaction time (>6h). Using a vertical scanning interferometer and patented fluid flow cell, surface height maps of a dissolving calcite crystal were produced by periodically and repetitively removing reactant fluid, rapidly acquiring a height dataset, and returning the sample to a wetted, reacting state. These reaction-measurement cycles were accomplished without changing the crystal surface position relative to the instrument’s optic axis, with an approximate frequency of one data acquisition per six minutes’ reaction (~10/h). In the standard fashion, computed differences in surface height over time yield a detailed velocity map of the retreating surface as a function of time. This dataset thus constitutes a near-continuous record of reaction, and can be used to both understand the relationship between changes in the overall dissolution rate of the surface and the morphology of the surface itself, particularly the relationship of a) large, persistent features (e.g., etch pits related to screw dislocations; b) small, short-lived features (e.g., so-called pancake pits probably related to point defects); c) complex features that reflect organization on a large scale over a long period of time (i.e., coalescent “super” steps), to surface normal retreat and stepwave formation. Although roughly similar in frequency of observation to anin situ AFM fluid cell, this VSI method reveals details of the interaction of surface features over a significantly larger scale, yielding insight into the role of various components in terms of their contribution to the cumulative dissolution rate as a function of space and time.

Permalink: https://www.hzdr.de/publications/Publ-27556
Publ.-Id: 27556


Self-Diffusion in Amorphous Silicon by Local Bond Rearrangements

Kirschbaum, J.; Teuber, T.; Donner, A.; Radek, M.; Bougeard, D.; Lundsgaard Hansen, J.; Nylandsted Larsen, A.; Posselt, M.; Bracht, H.; Böttger, R.

Experiments on self-diffusion in amorphous silicon (Si) were performed at temperatures between 460 to 600° C. The amorphous structure was prepared by Si ion implantation of single crystalline Si isotope multilayers epitaxially grown on a silicon-on-insulator wafer. The Si isotope profiles before and after annealing were determined by means of secondary ion mass spectrometry. Isothermal diffusion experiments reveal that structural relaxation does not cause any significant intermixing of the isotope interfaces whereas self-diffusion is significant before the structure recrystallizes. The temperature dependence of self-diffusion is described by an Arrhenius law with an activation enthalpy Q =2.70 +- 0.11eV and preexponential factor D0=5.5(+11.1 -3.7) × 10−2 cm2 s−1. Remarkably, Q equals the activation enthalpy of hydrogen diffusion in amorphous Si, the migration of bond defects determining boron diffusion, and the activation enthalpy of solid phase epitaxial recrystallization reported in the literature. This close agreement provides strong evidence that self-diffusion is mediated by local bond rearrangements rather than by the migration of extended defects as suggested by Strauß et al. (Phys. Rev. Lett. 116, 025901 (2016)).

Keywords: amorphous Si; self-diffusion; isotope multilayers

Permalink: https://www.hzdr.de/publications/Publ-27555
Publ.-Id: 27555


Local structural analyses of the uranium and zirconium in fuel debris containing boron at the Fukushima Daiichi NPP accident

Uehara, A.; Akiyama, D.; Numako, C.; Takeda, S.; Ikeda-Ohno, A.; Terada, Y.; Nitta, K.; Ina, T.; Kirishima, A.; Sato, N.

Mixtures of UO2, ZrO2 and B4C, that are one possible phase of nuclear debris remaining in the damaged reactors at the Fukushima Dai-ichi Nuclear Power Plants, were prepared at high temperature between 1200 to 1600 C, and their solid state structure was characterised by X-ray absorption spectroscopy at both U LIII- and Zr K-edges, and powder X-ray diffraction. The data were further analysed by principal component analysis.

Keywords: Nuclear fuel debris; Fukushima Dai-ichi Nuclear Power Plants; solid state; characterisation; uranium; zirconium; boron; X-ray absorption spectroscopy; X-ray diffraction

  • Lecture (Conference)
    2018 Fall Meeting, Atomic Energy Society of Japan, 05.09.2018, Okayama University, Japan

Permalink: https://www.hzdr.de/publications/Publ-27554
Publ.-Id: 27554


Design, validation and testing of new receiver coatings for concentrated solar power

Krause, M.; Heras, I.; Lungwitz, F.; Wenisch, R.; Schumann, E.; Janke, D.; Guillén, E.; Munnik, F.; Azkona, I.; Gemming, S.; Escobar-Galindo, R.

Increasing central receiver solar plant’s operation temperature from 550°C to about 800°C would improve the energy conversion efficiency by 15 to 20%. Absorber coatings appropriate for such conditions have to outperform the state-of-the-art pigment paint Pyromark® that has an absorptivity α > 95% but a high emittance (ε ~ 80%). The development of environmentally stable solar-selective coatings (SSC) for these temperatures requires new concepts of design and thermal testing. Multilayer SSC based on [AlyTi1-y(OxN1-x)] absorbers were designed after an extensive microstructural characterization and optical simulations. Based on excellent simulation performance values of α = 88-94% and εRT = 4.8-13.6%, complete coating stacks were experimentally validated and tested in vacuum and in air up to temperatures of 800°C [1]. Thermal stability in vacuum up to 800°C is shown by in situ Rutherford backscattering spectrometry (RBS), Raman spectroscopy and spectroscopic ellipsometry (SE) for individual layers as well as for complete SSC. Regarding in-air stability, the most stable SSC fulfilled the standard performance criterion PC ≤ 5% for 300 symmetric, 3 hours long cyclic tests between 300°C and 600°C. Another promising and simpler coating concept to be presented is based on a metal-doped transparent conductive oxide acting as solar-selective transmitter on top of a blackbody. The onset of the infrared reflectivity is tuneable by variation of the parameters during reactive magnetron sputtering deposition, thus matching the specific temperature requirements during solar applications. Thermal stability up to 800°C in vacuum is demonstrated by in situ RBS and SE.

Financial support by the EU, grant No. 645725, project FRIENDS2, and the HGF via the W3 program (S.G.) is gratefully acknowledged.

[1] I. Heras, et al. , Design of high-temperature solar-selective coatings based on aluminium titanium oxynitrides [AlyTi1-y(OxN1-x)]. Part 1: Advanced microstructural characterisation and optical simulation. Solar Energy Materials and Solar Cells 176 (2018) 81-92

Keywords: Solar selective coatings; oxynitrides; TCO's; thermosolar energy; in situ analysis; cluster tool

  • Invited lecture (Conferences)
    5th European Conference in Nanofilms (ECNF), 20.-22.03.2018, Cranfield, United Kingdom

Permalink: https://www.hzdr.de/publications/Publ-27553
Publ.-Id: 27553


Percolated Si:SiO2 Nanocomposites: Oven- vs. Millisecond Laser-induced Crystallization of SiOx Thin Films

Schumann, E.; Hübner, R.; Grenzer, J.; Gemming, S.; Krause, M.

Three-dimensional nanocomposite networks consisting of percolated Si nanowires in a SiOx matrix, Si:SiO2, were studied. The structures were obtained by reactive ion beam sputter deposition of SiOx (x~0.6) thin films at 450 °C and subsequent crystallization using conventional oven as well as millisecond line focus laser annealing. Rutherford backscattering spectrometry, Raman spectroscopy, X-ray diffraction, cross-sectional and energy-filtered transmission electron microscopy were applied for sample characterization. While oven annealing resulted in a mean Si wire diameter of 10 nm and a crystallinity of 72 % within the Si volume, almost single-domain Si structures with 30 nm in diameter and almost free of amorphous Si were obtained by millisecond laser application. The structural differences are attributed to the different crystallization processes: Conventional oven tempering proceeds via solid state, millisecond laser application via liquid phase crystallization of Si. The 5 orders of magnitude larger diffusion constant in the liquid phase is responsible for the three times larger Si nanostructure diameter. In conclusion, laser annealing offers not only significantly shorter process times but moreover a superior structural order of nano-Si compared to conventional heating.

Keywords: silicon; nanostructures; percolated networks; nanocomposites; thin films; laser processing; phase separation; liquid phase crystallization

Permalink: https://www.hzdr.de/publications/Publ-27552
Publ.-Id: 27552


Tiny but timely: Crystal surface reactivity constraints on diagenesis

Fischer, C.

Quantitative variability of diagenetic alteration is a major challenge for the development of predictive concepts. Here, we focus on the nano- and microscopic variability of crystal surface reactivity as a major constraint to fluid-solid reactions. While density and distribution of defect structures play a critical role, additional important impact is provided by the interaction of surfaces with nanoparticles and colloids during precipitation reactions. Quantitative data are available from multiple surface-sensitive methods that provide mechanistic insight via reaction rate maps and rate spectra and challenge the prevailing view that crystal dissolution is simply the inverse process of continuous crystal growth at crystal dislocations, e.g., during secondary porosity formation. Mechanistic insight is available from kinetic Monte Carlo methods, e.g., about inherited reactivity. The upscaling of such simulation results to the pore scale is a challenging task that requieres novel numerical approaches. Additionally to heterogeneities of the fluid flow field, reactive transport modeling approaches need to address ultimately the variability in surface reactivity in order to provide improved predictability.

  • Lecture (Conference)
    Goldschmidt-Conference, 12.-17.08.2018, Boston, USA

Permalink: https://www.hzdr.de/publications/Publ-27551
Publ.-Id: 27551


Pulsating dissolution of crystalline matter

Fischer, C.

The reaction of crystalline material with fluids is of relevance for natural and technical processes. A basic as¬sump-tion has been that the reaction products are continuously released from the crystal surface. New experimental and ana-lytical results show something fundamentally different: Material is released in a series of reaction pulses [1]. We present reaction rate maps that are derived from sequences of topography maps and quantify the spatial distribution of reaction rates across the crystal surface. The first (rate acceleration) and second (rate jerk) temporal derivative of the rate quantify the dynamic formation and loss of reactive surface sites. The resulting variability in nanoscale roughness is a key factor that controls kink-site distribution and density and therefore may help explain why laboratory (bulk) dissolution rates are so variable.
Applied and theoretical implications impact both the upscaling of crystal dissolution kinetics, and more importantly, the problem of how dissolution and growth are connected via the equilibrium state. These results challenge the prevailing view that crystal dissolution is simply the inverse process of continuous crystal growth at crystal dislocations. Consequently, we need to examine how macroscopic crystal equilibrium reflects continuous or discontinuous processes in the microscopic state.

[1] Fischer, C., Luttge, A., 2018. Pulsating dissolution of crystalline matter. PNAS 115, 897-902.

  • Invited lecture (Conferences)
    Goldschmidt-Conference, 12.-17.08.2018, Boston, USA

Permalink: https://www.hzdr.de/publications/Publ-27550
Publ.-Id: 27550


Synthesis and radiofluorination of a novel monocarboxylate transporter 1 inhibitor for tumor imaging by PET

Sadeghzadeh, M.; Moldovan, R.-P.; Wenzel, B.; Fischer, S.; Teodoro, R.; Ludwig, F.-A.; Gurrapu, S.; Drewes, L. R.; Brust, P.

Monocarboxylate transporter 1 (MCT1) is an integral plasma membrane protein that bi-directionally transports lactate and ketone bodies and is highly expressed in non-hypoxic regions of human colon, brain, breast, lung and other tumors. Accordingly, MCT1 inhibitors are regarded to be of potential clinical use. In the current study we developed a new 18F-labeled radioligand for in vivo imaging of MCT1-overexpressing brain tumors by PET.
A new fluorinated analogue of α-cyano-4-hydroxycinnamic acid (RM231) was synthesized from m-anisidine via alkylation, ortho formylation and Knoevenagel condensation in 50% overall yield. Its MCT1 inhibition activity was evaluated via [14C]lactate uptake assay on rat brain endothelial 4 cells. The mesylated precursor was similarly prepared in 52% overall yield. Radiosynthesis of [18F]RM231 was achieved by a two-step reaction, starting with the radiofluorination using [18F]-K2CO3-K222 complex followed by protective group removal via hydrolysis under optimized reaction conditions.
RM231 showed relatively high MCT1 inhibition activity (IC50 = 12 nM). The radiolabeled intermediate was obtained by an optimized procedure (acetonitrile, 5.5 mg of K222, 0.7 mg of K2CO3, 12-15 GBq of K18F, 100 ̊C, 8 min) with 44-50% yield determined by radio-HPLC analysis (N=3, non-isolated). The final product was obtained by hydrolysis with TFA in dry dichloromethane at room temperature for 10 minutes with 29% yield (radio-HPLC, non-isolated).[18F]RM231 could be obtained after separation using semi-preparative HPLC (RP C18 column; 30% ACN, 20 mM NH4CO2H). Currently, attempts are made to stabilize and formulate the final product appropriately for biological investigation. The newly developed MCT1 radioligand is anticipated to be a useful agent for imaging of the tumors with PET. Accordingly, animal studies on the new radiotracer are currently under investigation.

Keywords: Monocarboxylate transporter 1; α-Cyanocinnamic acid derivatives; Radiofluorination; Fluorine-18; Brain tumors

  • Lecture (Conference)
    18th Radiochemical Conference, 13.-18.05.2018, Mariánské Lázně, Czeck Republic

Permalink: https://www.hzdr.de/publications/Publ-27549
Publ.-Id: 27549


Effect of beam energy straggling on resonant yield in thin gas targets: The cases 22Ne(p,gamma)23Na and 14N(p, gamma)15O

Bemmerer, D.; Cavanna, F.; Depalo, R.; Aliotta, M.; Anders, M.; Boeltzig, A.; Broggini, C.; Bruno, C.; Caciolli, A.; Corvisiero, P.; Davinson, T.; Elekes, Z.; Ferraro, F.; Formicola, A.; Fülöp, Z.; Gervino, G.; Guglielmetti, A.; Gustavino, C.; Gyürky, G.; Menegazzo, R.; Mossa, V.; Pantaleo, F. R.; Prati, P.; Scott, D. A.; Straniero, O.; Szücs, T.; Takács, M. P.; Trezzi, D.

When deriving resonance strengths using the thick-target yield approximation, for very narrow resonances it may be necessary to take beam energy straggling into account. This applies to gas targets of a few keV width, especially if there is some additional structure in target stoichiometry or detection efficiency. The correction for this effect is shown and tested on recent studies of narrow resonances in the 22Ne(p, γ)23Na and 14N(p, γ)15O reactions.

Permalink: https://www.hzdr.de/publications/Publ-27548
Publ.-Id: 27548


Erratum: Three new low-energy resonances in the 22Ne(p,γ)23Na reaction

Cavanna, F.; Depalo, R.; Aliotta, M.; Anders, M.; Bemmerer, D.; Best, A.; Böltzig, A.; Broggini, C.; Bruno, C. G.; Caciolli, A.; Corvisiero, P.; Davinson, T.; Di Leva, A.; Elekes, Z.; Ferraro, F.; Formicola, A.; Fülöp, Z.; Gervino, G.; Guglielmetti, A.; Gustavino, C.; Gyürky, G.; Imbriani, G.; Junker, M.; Menegazzo, R.; Mossa, V.; Pantaleo, F. R.; Prati, P.; Scott, D. A.; Somorjai, E.; Straniero, O.; Strieder, F.; Szücs, T.; Takács, M. P.; Trezzi, D.

Reported strengths of newly discovered resonances in [F. Cavanna et al., Phys. Rev. Lett. 115, 252501 (2015)] were affected by an error in the analysis. The energy straggling of the ion beam was erroneously neglected. When taking this effect into account, 18-19% higher values are found for the resonance strengths. The astrophysical implications are unchanged.

Permalink: https://www.hzdr.de/publications/Publ-27547
Publ.-Id: 27547


Phage Display Derived Short Peptides for the Recovery of Valuable Metal Ions from Water Streams

Matys, S.; Schönberger, N.; Braun, R.; Lehmann, F.; Flemming, K.; Lederer, F.; Pollmann, K.

Since several years, the phage surface display technique (PSD) has been successfully applied for the development of new receptor-ligand pairs for medical purposes, new pharmaceuticals or the elucidation of protein-protein interactions [1,2]. A comparatively new methodological approach is the use of this technique for bioremediation [3,4]. We established the PSD as novel biotechnological platform for the selective recovery of industrial relevant elements either in ionic form or as small particles. The commercially available bacteriophage libraries Ph.D.C7C and Ph.D.12 (New England Biolabs, Inc.) were used for isolation and identification of specific nickel, cobalt and gallium ion binding peptides. From a pool of 1,2 x 10⁹ different peptide motifs, 24 phage clones for nickel, 20 for cobalt and 108 for gallium were isolated in the iterative bio-panning process. The binding strength of these phages clones was compared with the one of unmodified wild type phages by performing adsorption tests onto metal loaded agarose beads. Cross binding tests revealed for most of the nickel binding phages also binding capacities for cobalt and vice versa.

[1]. H.M.E. Azzazy, W.E. Highsmith Jr., Clinical Biochemistry. 2002, 35, 425-45:
[2] J. Pande, M.M. Szewczyk, A.K. Grover, Biotechnology Advances. 2010, 28, 849-58:
[3] S.B. Curtis, J. Hewitt, R.T.A. MacGillivray, W.S. Dunbar, Biotech. Bioeng. 2009, 102, 644-650:
[4] T. Hatanaka, A. Matsugami, T. Nonaka, H. Takagi, F. Hayashi, T. Tani, N. Ishida, Nature Comm. 2017, 8, 15670:

Keywords: phage surface display; biopanning; metal recovery

  • Poster
    4th International Conference on Bioinspired and Biobased Chemistry & Materials, 14.-17.10.2018, Nizza, Frankreich

Permalink: https://www.hzdr.de/publications/Publ-27546
Publ.-Id: 27546


Modelling of condensation inside an inclined pipe

Moonesi Shabestary, A.; Bieberle, A.; Krepper, E.; Lucas, D.; Hampel, U.

Designs of future nuclear boiling water reactor concepts are usually equipped with a so-called emergency cooling system which is passively driven to remove heat from the core to the outside in case of an accident. The emergency cooling system consists of a bunch of slightly inclined horizontal pipes which are immersed in a tank of subcooled water. At normal operation conditions, the pipes are filled with water and no heat transfer to the secondary side of the condenser exists. In case of an accident during which the water level in the core is decreasing, steam enters the emergency pipes and due to the cold water around the pipe, the steam condenses at the inner wall of the pipes. Therefore, the emergency condenser removes the decay heat from the reactor core. In the current PANAS-project all the involved thermal hydraulic components are studied intensively. The focus of the current paper is on CFD modeling of the emergency condenser and validation of the models with data obtained from experiments performed at the TOPFLOW facility at a single condensation pipe at operating conditions close to reality, i.e. at high pressure and saturated steam.
In this paper, the inflow of the pipe is assumed as pure steam. Due to wall condensation a thin liquid film is generated near the wall leading to annular flow. The generated liquid film stays in direct contact with steam which is on saturation temperature causing direct contact condensation at the interface between steam and liquid. Because of the gravity force, the laminar liquid film is falling, gathering at the lower part of the pipe and finally a stratified flow occurs. Combining wall condensation, direct contact condensation and effects of the liquid film on the heat transfer coefficient is a major focus of this paper. Finally, the results of the simulations are validated with the experimental data.

  • Contribution to proceedings
    49th Annual Meeting on Nuclear Technology, 29.-30.05.2018, Berlin, Germany
    Modelling of condensation inside an inclined pipe

Permalink: https://www.hzdr.de/publications/Publ-27545
Publ.-Id: 27545


Complexation of europium with chondroitin sulfate

Barkleit, A.; Patzschke, M.; Heim, K.; Seidler, D. G.

Glycosaminoglycans (GAGs) are linear polysaccharides and highly negatively charged. GAGs are part of proteoglycans which are major components of the extracellular matrix. They are involved in binding cations (such as sodium, potassium and calcium) and water, and also regulating the movement of molecules through the matrix. Individual functions of proteoglycans can be attributed to either the protein core or the attached GAG chain. The GAG family consists of heparin/heparan sulfate, chondroitin sulfate (CS) and dermatan sulfate (DS). CS is composed of the disaccharide unit N-acetylgalactosamine (D-GalNAc) and D-glucuronic acid which can be sulfated at the C4 and C6 of GalNAc (CS4S and CS6S). DS is defined by presence of L-iduronic acid residues and is always sulfated at C4 at the GalNAc. The ability of the lanthanide ions, like Europium (Eu), which show luminescence properties, allowed studying the binding behavior of GAGs.
The behavior of the complex formation of Eu3+/GAGs was analyzed under physiological conditions by several experimental methods such as time-resolved laser-induced fluorescence spectroscopy (TRLFS) and infrared spectroscopy (ATR-FT-IR), supplemented by theoretical calculations of the possible structures and resulting spectra.
All three GAGs (CS4S, CS6S and DS) caused an increase in luminescence intensity of the hypersensitive 7F2 emission band of Eu3+ due to complex formation, which was more pronounced for CS4S and DS compared to CS6S. The luminescence lifetimes increased with CS4S and DS up to 200-300 µs, corresponding to 2-4 remaining H2O molecules in the first coordination shell of Eu3+. With CS6S, the luminescence lifetime was even more prolonged up to ~650 µs (~1 remaining H2O).
FT-IR showed that the binding of GAGs to Eu3+ occurs not only via the carboxyl groups but also via the sulfate groups.
Even though the coordination behavior of GAGs towards Eu3+ is in general quite similar, particular differences could be identified: GAGs with C4 sulfation seem to be stronger ligands, whereas C6 sulfation seems to be sterically more ambitious since it can replace more H2O molecules from the first spherical coordination shell of Eu3+ than C4 sulfation.

  • Poster
    10th International Conference on f-Elements (ICFE-10), 03.-06.09.2018, Lausanne, Schweiz

Permalink: https://www.hzdr.de/publications/Publ-27544
Publ.-Id: 27544


Magnetic coupling effects in curvilinear nanomagnets

Makarov, D.; Volkov, O.; Kakay, A.; Fassbender, J.

While conventionally magnetic films and structures are fabricated on flat surfaces, the topology of curved surfaces has only recently started to be explored and leads to new fundamental physics as well as applied device ideas [1]. In particular, novel effects occur when the magnetization is modulated by curvature providing a new degree of freedom that leads to new magnetization configurations and is predicted to have major implications on the spin dynamics due to topological constraints [2].
Advances in this novel field solely rely on the understanding of the fundamentals behind the modifications of magnetic responses of 3D-curved magnetic thin films. The lack of an inversion symmetry and the emergence of a curvature induced effective anisotropy and Dzyaloshinskii-Moriya interaction are characteristic of curved surfaces, leading to curvature-driven magnetochiral effects and topologically induced magnetization patterning. In addition to these rich physics, the application potential of 3D-shaped objects is currently being explored as mechanically reshapeable magnetic field sensorics [3], spin-wave filters and high-speed racetrack memory devices. The fundamentals as well as application relevant aspects of curvilinear nanomagnets will be covered in this presentation.

[1] R. Streubel, D. Makarov et al., J. Phys. D: Appl. Phys. 49, 363001 (2016).
[2] D. Sander, D. Makarov et al., J. Phys. D: Appl. Phys. 50, 363001 (2017).
[3] D. Makarov et al., Appl. Phys. Rev. 3, 011101 (2016).

Keywords: curvature effects; magnetic thin films

  • Poster
    Joint European Magnetic Symposia 2018, 03.-07.09.2018, Mainz, Germany

Permalink: https://www.hzdr.de/publications/Publ-27542
Publ.-Id: 27542


Spintronics with magnetoelectric antiferromagnetic thin films

Makarov, D.

Thin film antiferromagnets (AF) have potential to revolutionize spintronics due to their inherently magnetic-field stable magnetic order and high-frequency operation. To explore their application potential, it is necessary to understand modifications of the magnetic properties and magnetoelectric responses of AF thin films with respect to their bulk counterparts. Considering grainy morphology of thin films, questions regarding the change of the intergranular exchange, criticality behavior and switching of the order parameter need to be addressed.
Our approach is based on the electron transport characterization of magnetic responses of thin film metallic (IrMn) and insulating (α-Cr2O3) antiferromagnets [1-3]. To access minute uncompensated surface magnetization, we rely on zero-offset Hall magnetometry [2]. To build a reliable description of the material properties, the analysis of the transport data is backed up by structural characterization and real space imaging of AF domain patterns using NV microscopy [2].
The fundamental understanding of the magnetic microstructure of magnetoelectric α-Cr2O3 thin films and the possibility to read-out its AF order parameter all-electrically allowed us to put forth a new recording concept where a magnetoelectric memory cell is addressed without using a ferromagnet [1].
[1] T. Kosub et al., Nat. Commun. 8, 13985 (2017).
[2] T. Kosub et al., Phys. Rev. Lett. 115, 097201 (2015).
[3] R. Schlitz et al., Appl. Phys. Lett. 112, 132401 (2018).

Keywords: antiferromagnets; magnetoelectric effect

  • Invited lecture (Conferences)
    2018 International Colloquium on Magnetic Films and Surfaces (ICMFS), 22.-27.07.2018, Santa Cruz, USA

Permalink: https://www.hzdr.de/publications/Publ-27541
Publ.-Id: 27541


Spintronics of thin film granular antiferromagnets

Makarov, D.

Antiferromagnets have the potential to revolutionize spintronics due to their inherently magnetic-field stable magnetic order and high-frequency operation. There are already great advances in the field especially when bulk antiferromagnets are considered. The application potential of antiferromagnets can be explored in full only if they will be prepared in the way to be compatible with a conventional microelectronic processing. This necessarily requires the use of (i) thin film antiferromagnets and (ii) discovery of methods to address the order parameter and its modifications all-electrically.
With respect to the first challenge it is necessary to understand modifications of the magnetic properties and magneto-electric responses of thin film antiferromagnets with respect to their bulk counterparts. Typically, thin films possess grainy morphology. Hence, to determine their application potential, questions regarding the change of the intergranular exchange, criticality behavior and switching of the order parameter need to be answered. This topic will be illustrated on the specific example of thin film magnetoelectric collinear antiferromagnet α-Cr2O3 studied using zero-offset Hall magnetometry and NV microscopy [1].
To address the second challenge it is required to develop transport-based techniques to harness the responses of thin film antiferromagnets. This task is difficult as minute uncompensated surface magnetization of antiferromagnets needs to be detected, which imposes strict requirements to the sensitivity of the method. I will outline our developments of zero-offset anomalous Hall magnetometry [2] applied to study the physics of conventional metallic IrMn and insulating magnetoelectric Cr2O3 antiferromagnets.
The fundamental understanding of the magnetic microstructure of magnetoelectric α-Cr2O3 thin films and the possibility to read-out its antiferromagnetic order parameter all-electrically enabled the entirely new recording concept where a magnetoelectric memory cell can be addressed without using a ferromagnet. With this approach, we opened an appealing field of purely antiferromagnetic magnetoelectric random access memory (AF-MERAM) [1]. The key performance parameters of the Cr2O3 based AF-MERAM will be highlighted.
The essence of the AF-MERAM concept is that the read out is realized by acquiring Hall effect measurements from a thin metal layer (e.g., Pt) in proximity with the insulating Cr2O3. While this approach provides a convenient all-electric way to interface with the antiferromagnetic material, the underlying mechanism is debated to be based on either spin Hall magnetoresistance (SMR) or proximity effect. By carrying out temperature dependent anomalous Hall and magnetoresistance measurements, we found out that the signal is dominated by the SMR with a clear presence of an additional contribution. The origin of this contribution might be related to the proximity effect. These preliminary experimental results will be put forth for the discussion as well.
[1] T. Kosub, M. Kopte, R. Hühne, P. Appel, B. Shields, P. Maletinsky, R. Hübner, M. O. Liedke, J. Fassbender, O. G. Schmidt, and D. Makarov, “Purely antiferromagnetic magnetoelectric random access memory”. Nature Communications 8, 13985 (2017).
[2] T. Kosub, M. Kopte, F. Radu, O. G. Schmidt, and D. Makarov, “All-Electric access to the magnetic-field-invariant magnetization of antiferromagnets”. Phys. Rev. Lett. 115, 097201 (2015).

Keywords: antiferromagnets; spintronics

  • Invited lecture (Conferences)
    Joint European Magnetic Symposia 2018, 03.-07.09.2018, Mainz, Germany

Permalink: https://www.hzdr.de/publications/Publ-27540
Publ.-Id: 27540


Curvilinear nanomagnetism

Makarov, D.

While conventionally magnetic films and structures are fabricated on flat surfaces, the topology of curved surfaces has only recently started to be explored and leads to new fundamental physics as well as applied device ideas [1]. In particular, novel effects occur when the magnetization is modulated by curvature providing a new degree of freedom that leads to new magnetization configurations and is predicted to have major implications on the spin dynamics due to topological constraints [2].
Advances in this novel field solely rely on the understanding of the fundamentals behind the modifications of magnetic responses of 3D-curved magnetic thin films [3]. The lack of an inversion symmetry and the emergence of a curvature induced effective anisotropy and Dzyaloshinskii-Moriya interaction are characteristic of curved surfaces, leading to curvature-driven magnetochiral effects and topologically induced magnetization patterning [4]. In addition to these rich physics, the application potential of 3D-shaped objects is currently being explored as mechanically reshapeable magnetic field sensorics [5], spin-wave filters and high-speed racetrack memory devices. The fundamentals as well as application relevant aspects of curvilinear nanomagnets will be covered in this presentation.

[1] R. Streubel, D. Makarov et al., Magnetism in curved geometries. J. Phys. D: Appl. Phys. (Topical Review) 49, 363001 (2016).
[2] D. Sander, D. Makarov et al., The 2017 Magnetism Roadmap. J. Phys. D: Appl. Phys. (Topical Review) 50, 363001 (2017).
[3] R. Streubel, D. Makarov et al., Retrieving spin textures on curved magnetic thin films with full-field soft X-ray microscopies. Nat. Commun. 6, 7612 (2015).
[4] V. P. Kravchuk, D. Makarov et al., Multiplet of Skyrmion states on a curvilinear defect: Reconfigurable Skyrmion lattices. Phys. Rev. Lett. 120, 067201 (2018).
[5] D. Makarov et al., Shapeable Magnetoelectronics. Appl. Phys. Rev. (Focused Review) 3, 011101 (2016).

Keywords: curvature effects; magnetic thin films; shapeable magnetoelectronics

  • Invited lecture (Conferences)
    Invited talk at the Condensed Matter Theory seminar at the University of Utrecht, 20.06.2018, Utrecht, The Netherlands

Permalink: https://www.hzdr.de/publications/Publ-27539
Publ.-Id: 27539


Spintronics with thin film magnetoelectric antiferromagnets

Makarov, D.

In this talk I will Review our activities on thin film Cr2O3 films, which led to the realization of antiferromagnetic magnetoelectric RAM [1-3].
[1] T. Kosub, D. Makarov et al., Nat. Commun. 8, 13985 (2017).
[2] T. Kosub, D. Makarov et al., Phys. Rev. Lett. 115, 097201 (2015).
[3] R. Schlitz, D. Makarov et al., Appl. Phys. Lett. 112, 132401 (2018).

Keywords: antiferromagnets; spintronics

  • Invited lecture (Conferences)
    2018 Gordon Research Conference entitled Multiferroic and Magnetoelectric Materials – "Effects in Multiferroics Beyond the Coupling of Magnetic and Electric Order", 05.-10.08.2018, Lewiston, Maine, USA

Permalink: https://www.hzdr.de/publications/Publ-27538
Publ.-Id: 27538


Magnetic smart skins for augmented reality

Makarov, D.

Augmented reality gadgets are becoming common for our information intensive society assisting us to acquire and process the data. Although impressive in the realization and demonstrations, the obvious drawback of the state-of-the-art augmented and virtual reality devices relying on optical detection systems is their bulkiness, energy inefficiency and the stringent requirement for an operator to be at the line of sight of the device.
We envision that prospective augmented reality systems will strongly benefit from the recent developments in compliant on-skin electronics [1-3]. The fabrication of highly conformable gadgets requires the realization of the electronic replica of the exteroceptive sensory system of humans as well as calls for the acquiring new perception skills beyond those prescribed by the evolution. The representative example of the missing exteroceptive sense of humans is the magnetoception, which allows some of the mammals but not humans perceiving the location in space or directions based on the detection of magnetic fields. The first crucial step towards the realization of this vision was accomplished with the development of interactive magnetosensitive skins [4-6]. The key enabler for this technology is the shapeable [7] –namely, flexible [5,6], stretchable [8,9] and imperceptible [4]– magnetic field sensorics.
Here, we present the first on-skin gadgets, which replicate our natural proprioceptive sensory ability of detecting the motion. The technology is put forth to realize distributed arrays of magnetic field sensors on ultra-thin polymeric foils. Relying on this magnetically enabled electronic proprioception, we visualize the bodily motion and demonstrate the touchless manipulation of virtual objects for augmented reality systems.
Those highly conformable interactive devices possess great potential to extend the portfolio of tasks, which can be performed in virtual or augmented reality. The integration of gadgets in imperceptible electronic skins will open not only exciting possibilities for business or gaming industry but is also beneficial for safety and security applications, where the somatic manipulation of objects, e.g. turning regulation knobs located in a restricted environment is undesirable or even prohibited.

1. J. A. Rogers et al. Nature 477, 45 (2011).
2. S. Bauer et al., Adv. Mater. 26, 149 (2014).
3. M. Kaltenbrunner et al., Nature 499, 458 (2013).
4. M. Melzer et al., Nature Commun. 6, 6080 (2015).
5. M. Melzer et al., Adv. Mater. 27, 1274 (2015).
6. N. Münzenrieder et al., Adv. Electron. Mater. 2, 1600188 (2016).
7. D. Makarov et al., Appl. Phys. Rev. 3, 011101 (2016).
8. M. Melzer et al., Nano Lett. 11, 2522 (2011).
9. M. Melzer et al., Adv. Mater. 27, 1333 (2015).

Keywords: flexible magnetic field sensors; shapeable magnetoelectronics; virtual reality

  • Invited lecture (Conferences)
    18th International Conference on Experimental Mechanics (ICEM 2018), 01.-05.07.2018, Brussels, Belgium

Permalink: https://www.hzdr.de/publications/Publ-27537
Publ.-Id: 27537


Magnetism in curved geometries

Makarov, D.

While conventionally magnetic films and structures are fabricated on flat surfaces, the topology of curved surfaces has only recently started to be explored and leads to new fundamental physics as well as applied device ideas. In particular, novel effects occur when the magnetization is modulated by curvature that has major implications on the spin statics and dynamics due to topological constraints.
Advances in this novel field solely rely on the understanding of the fundamentals behind the modifications of magnetic responses of 3D-curved magnetic thin films. The lack of an inversion symmetry and the emergence of a curvature induced effective anisotropy and Dzyaloshinskii-Moriya interaction are characteristic of curved surfaces, leading to curvature-driven magnetochiral effects and topologically induced magnetization patterning [1]. In addition to these rich physics, the application potential of 3D-shaped objects is currently being explored as spin filters, magnetic field sensorics and memory devices.
To this end, the initially fundamental topic of magnetism in curved geometries strongly benefited from the input of the application-oriented community, which among others explores the mechanical shapeability of curved magnetic thin films. These activities resulted in the development of shapeable magnetoelectronics [2] - spintronics on flexible, bendable and stretchable surfaces.
[1] Streubel et al., J. Phys. D: Appl. Phys. (Topical Review) 49, 363001 (2016).
[2] Makarov et al., Appl. Phys. Rev. (Focused Review) 3, 011101 (2016).

Keywords: curvature effects; magnetism; 3D shapes; magnetic thin films

  • Lecture (Conference)
    DPG Spring meeting, 11.-16.03.2018, Berlin, Germany

Permalink: https://www.hzdr.de/publications/Publ-27536
Publ.-Id: 27536


Spintronics of thin film granular antiferromagnets

Makarov, D.

Antiferromagnets have the potential to revolutionize spintronics due to their inherently magnetic-field stable magnetic order and high-frequency operation. Their application potential can be explored in full only if antiferromagnets will be prepared to be compatible with a conventional microelectronic processing. This necessarily requires the use of (i) thin film antiferromagnets and (ii) discovery of methods to address the order parameter and its modifications all-electrically.
With respect to the first challenge it is necessary to understand modifications of the magnetic properties and magneto-electric responses of thin film antiferromagnets with respect to their bulk counterparts. Typically, thin films possess grainy morphology. Hence, to determine their application potential, questions regarding the change of the intergranular exchange, criticality behavior and switching of the order parameter need to be answered. This topic I will illustrate on the specific example of thin film magnetoelectric collinear antiferromagnet α-Cr2O3 studied using zero-offset Hall magnetometry and NV microscopy [1].
To address the second challenge it is required to develop transport-based techniques to harness the responses of thin film antiferromagnets. This task is difficult as minute uncompensated surface magnetization of antiferromagnets needs to be detected, which imposes strict requirements to the sensitivity of the method. I will outline our developments of zero-offset anomalous Hall magnetometry [2] applied to study the physics of conventional metallic IrMn and insulating magnetoelectric Cr2O3 antiferromagnets.
The fundamental understanding of the magnetic microstructure of magnetoelectric α-Cr2O3 thin films and the possibility to read-out its antiferromagnetic order parameter all-electrically enabled the entirely new recording concept where a magnetoelectric memory cell can be addressed without using a ferromagnet. With this approach, we opened an appealing field of purely antiferromagnetic magnetoelectric random access memory (AF-MERAM) [1].

[1] T. Kosub et al., Nature Communications 8, 13985 (2017).
[2] T. Kosub et al., Phys. Rev. Lett. 115, 097201 (2015).

Keywords: antiferromagnets; magnetoelectric effect; Hall measurement

  • Invited lecture (Conferences)
    International Workshop on Magneto-Electric Actuation, Magneto-ionicsand Related Phenomena in High-Surface Area Materials, 28.-30.05.2018, Gavà-Barcelona, Spain

Permalink: https://www.hzdr.de/publications/Publ-27535
Publ.-Id: 27535


Magnetic Functionalities for Flexible Interactive Electronics

Makarov, D.

Augmented reality gadgets are becoming common for our information intensive society assisting us to acquire and process the data. Although impressive in the realization and demonstrations, the obvious drawback of the state-of-the-art augmented and virtual reality devices relying on optical detection systems is their bulkiness, energy inefficiency and the stringent requirement for an operator to be at the line of sight of the device.
We envision that prospective augmented reality systems will strongly benefit from the recent developments in compliant on-skin electronics [1-3]. The fabrication of highly conformable gadgets requires the realization of the electronic replica of the exteroceptive sensory system of humans as well as calls for the acquiring new perception skills beyond those prescribed by the evolution. The representative example of the missing exteroceptive sense of humans is the magnetoception, which allows some of the mammals but not humans perceiving the location in space or directions based on the detection of magnetic fields. The first crucial step towards the realization of this vision was accomplished with the development of interactive magnetosensitive skins [4-6]. The key enabler for this technology is the shapeable magnetoelectronics [7] –namely, flexible [5,6], stretchable [8,9] and imperceptible [4,10]– magnetic field sensorics.
Here, we present the first on-skin gadgets, which replicate our natural proprioceptive sensory ability of detecting the motion [6, 7, 10]. The technology is put forth to realize distributed arrays of magnetic field sensors on ultra-thin polymeric foils. Relying on this magnetically enabled electronic proprioception, we visualize the bodily motion and demonstrate the touchless manipulation of virtual objects for augmented reality systems.
Those highly conformable interactive devices possess great potential to extend the portfolio of tasks, which can be performed in virtual or augmented reality. The integration of gadgets in imperceptible electronic skins will open not only exciting possibilities for business or gaming industry but is also beneficial for safety and security applications, where the somatic manipulation of objects, e.g. turning regulation knobs located in a restricted environment is undesirable or even prohibited.

References
1. J. A. Rogers et al., Nature 477, 45 (2011).
2. S. Bauer et al., Adv. Mater. 26, 149 (2014).
3. M. Kaltenbrunner et al., Nature 499, 458 (2013).
4. M. Melzer et al., Nature Commun. 6, 6080 (2015).
5. M. Melzer et al., Adv. Mater. 27, 1274 (2015).
6. N. Münzenrieder et al., Adv. Electron. Mater. 2, 1600188 (2016).
7. D. Makarov et al., Appl. Phys. Rev. 3, 011101 (2016).
8. M. Melzer et al., Nano Lett. 11, 2522 (2011).
9. M. Melzer et al., Adv. Mater. 27, 1333 (2015).
10. G. S. Canon Bermudez et al., Science Advances 4, eaao2623 (2018).

Keywords: flexible electronics; magnetic field sensors; on-Skin electronics

  • Invited lecture (Conferences)
    6th International Conference on Superconductivity and Magnetism, 29.04.-04.05.2018, Antalya, Turkey

Permalink: https://www.hzdr.de/publications/Publ-27534
Publ.-Id: 27534


Efficient Parallel Monte-Carlo Simulations for Large-Scale Studies of Surface Growth Processes

Kelling, J.

Lattice Monte Carlo methods are used to investigate far from and out-of-equilibrium systems, including surface growth, spin systems and solid mixtures. Applications range from the determination of universal growth or aging behaviors to palpable systems, where coarsening of nanocomposites or self-organization of functional nanostructures are of interest. Such studies require observations of large systems over long times scales, to allow structures to grow over orders of magnitude, which necessitates massively parallel simulations.

This work addresses the problem of parallel processing introducing correlations in Monte Carlo updates and proposes a virtually correlation-free domain decomposition scheme to solve it. The effect of correlations on scaling and dynamical properties of surface growth systems and related lattice gases is investigated further by comparing results obtained by correlation-free and intrinsically correlated but highly efficient simulations using a stochastic cellular automaton (SCA). Efficient massively parallel implementations on graphics processing units (GPUs) were developed, which enable large-scale simulations leading to unprecedented precision in the final results.

The primary subject of study is the Kardar–Parisi–Zhang (KPZ) surface growth in (2 + 1) dimensions, which is simulated using a dimer lattice gas and the restricted solid-on-solid model (RSOS) model. Using extensive simulations, conjectures regarding growth, autocorrelation and autoresponse properties are tested and new precise numerical predictions for several universal parameters are made.

Keywords: lattice Monte Carlo; surface growth; ballistic deposition; physical aging; Kardar–Parisi–Zhang; lattice gas; parallel processing; domain decomposition; GPU

Related publications

Permalink: https://www.hzdr.de/publications/Publ-27533
Publ.-Id: 27533


Inductive System for Reliable Magnesium Level Detection in a Titanium Reduction Reactor

Krauter, N.; Eckert, S.; Gundrum, T.; Stefani, F.; Wondrak, T.; Frick, P.; Khalilov, R.; Teimurazov, A.

The determination of the Magnesium level in a Titanium reduction retort by inductive methods is often hampered by the formation of Titanium sponge rings which disturb the propagation of electromagnetic signals between excitation and receiver coils. We present a new method for the reliable identification of the Magnesium level which explicitly takes into account the presence of sponge rings with unknown geometry and conductivity. The inverse problem is solved by a look-up-table method, based on the solution of the inductive forward problems for several tens of thousands parameter combinations.

Keywords: titanium; Kroll process; level detection; inductive measurements

Downloads:

Permalink: https://www.hzdr.de/publications/Publ-27532
Publ.-Id: 27532


Contilisant, a Tetratarget Small Molecule for Alzheimer’s Disease Therapy Combining Cholinesterase, Monoamine Oxidase Inhibition and H3R Antagonism with Sigma 1R Agonism Profile

Bautista-Aguilera, O. M.; Budni, J.; Mina, F.; Medeiros, E. B.; Deuther-Conrad, W.; Entrena, J. M.; Moraleda, I.; Iriepa, I.; López-Muñoz, F.; Marco-Contelles, J.

Contilisant, a permeable, antioxidant and neuroprotectant agent, showing high nM affinity at H3R, excellent inhibition of the monoamine oxidases and cholinesterases, is an affine and selective S1R agonist in the nanomolar range, based on the binding affinity and functional experiment, a result confirmed by molecular modeling. In addition, Contilisant significantly restores the cognitive deficit induced by Aβ1-42 in the radial maze assay in an in vivo Alzheimer’s disease test, comparing very favorably with donepezil.

Keywords: Alzheimer’s disease; Aβ; ASS234; ChE inhibitor; Contilisant; Cognitive impairment; H3R antagonist; MAO inhibitor; Molecular modeling; Radial arm-maze test; hSigma 1R agonist; rVAChT modulator; Y-maze test

Permalink: https://www.hzdr.de/publications/Publ-27531
Publ.-Id: 27531


Laser schaltet Magnet an und aus

Ehrler, J.; Kronast, F.; Zhigilei, L. V.; Bali, R.

Mit einem Laserstrahl in einer Legierung magnetische Strukturen zu erzeugen und anschließend wieder zu löschen – das gelang einer internationalen Kooperation unter Leitung des Helmholtz-Zentrums Dresden-Rossendorf (HZDR). Durch Laserpulse veränderte sie die Anordnung der Atome, was eine Veränderung der magnetischen Eigenschaften zur Folge hatte. Da Laser in der Industrie weit verbreitet sind, könnten sich für die Materialbearbeitung, für optische Technologien oder die Datenspeicherung neue Perspektiven eröffnen.

Related publications

  • Physik in unserer Zeit (2018)

Permalink: https://www.hzdr.de/publications/Publ-27530
Publ.-Id: 27530


Environmental fate of fission products: a comprenhensive study

Mayordomo, N.; Rodríguez, D. M.; Müller, K.

Assuring a safe long-term nuclear waste management implies extensive knowledge on the fundamental behaviour of fission products in the surroundings of the feasible repository. This includes the radionuclide speciation, their migration, and their possible interaction with compartments of the technical and geological barriers, and biota.
Fission products, although generated in low yield, posse radiotoxicity and their half-life can be high (10^5 years). Among them, Se and Tc are especially relevant because some of their species are assumed highly mobile in water, since their interaction with the barrier materials (like clay) is considered negligible, as they are mainly found as anionic species [1].
We carry out a comprehensive study to fill the existing gaps of knowledge about the thermodynamic parameters and the molecular level information related to Tc and Se interaction with minerals. Our approach consist on having a global view of the interaction by combining experiments and theoretical tools [2]. On one hand the experiments consists on batch sorption experiments (to obtain the trend of sorption with pH, ionic strength or time) and on spectroscopic experiments (to get the information of the interaction at a molecular level). On the other hand, the theoretical tool consists on developing complexation models that allow the prediction of fission product-mineral interaction under given conditions and that can be adapted to other environments.
In this talk we focus on the Tc(VII) interaction with alumina. Alumina has been selected not only for its model character for complex minerals, but also because of its high affinity for anions, as Se(IV) [2].

This work has been developed in the frame of VESPA II project (02E11607B), supported by the German Ministry of Economy and Energy (BMWi).

[1] K.H. Lieser, et al. Radiochim. Acta. 42 (1987) 205–213.
[2] N. Mayordomo, et al. Environ. Sci. Technol. (2018) 581–588.

Keywords: Technetium; alumina; retention

  • Invited lecture (Conferences)
    Goldschmidt 2018, 12.-17.08.2018, Boston, USA

Permalink: https://www.hzdr.de/publications/Publ-27529
Publ.-Id: 27529


The Feasibility of Studying 44Ti(α, p)47V Reaction at Astrophysical Energies

Al-Abdullah, T.; Bemmerer, D.; Elekes, Z.; Schumann, D.

The gamma-ray lines from the decay of 44Ti have been observed by space-based gamma-ray telescopes from two supernova remnants. It is believed that the 44Ti(α, p)47V reaction dominates the destruction of 44Ti. This work presents a possible technique to determine its reaction rate in forward kinematics at astrophysically relevant energies. Several online and offline measurements in parallel with Monte Carlo simulations were performed to illustrate the feasibility of performing this reaction. The results will be discussed.

Permalink: https://www.hzdr.de/publications/Publ-27528
Publ.-Id: 27528


Thermally driven convection in Li||Bi liquid metal batteries

Personnettaz, P.; Beckstein, P.; Landgraf, S.; Köllner, T.; Nimtz, M.; Weber, N.; Weier, T.

Liquid Metal Batteries (LMBs) are a promising concept for cheap electrical energy storage at grid level. These are built as a stable density stratification of three liquid layers, with two liquid metals separated by a molten salt. In order to ensure a safe and efficient operation, the understanding of transport phenomena in LMBs is essential. With this motivation we study thermal convection induced by internal heat generation.
We consider the electrochemical nature of the cell in order to define the heat balance and the operating parameters. Moreover we develop a simple 1D heat conduction model as well as a fully 3D thermo-fluid dynamics model. The latter is implemented in the CFD library OpenFOAM, extending the volume of fluid solver, and validated against a pseudo-spectral code. Both models are used to study a rectangular 10×10 cm Li||Bi LMB cell at three different states of charge.

Keywords: liquid metal batteries; heat transfer; thermal convection; thermodynamics; OpenFOAM; volume of fluid; spurious currents

Downloads:

Permalink: https://www.hzdr.de/publications/Publ-27527
Publ.-Id: 27527


Using FIB/SEM's to Investigate Biological Samples

Wolff, A.; Klingner, N.; Thompson, W.; Zhou, Y.; Lin, J.; Peng, Y. Y.; Ramshaw, J. A. M.; Xiao, Y.

This study focuses on gallium ion-solid interactions and their simulations to derive sets of suitable operational parameters and a technique which prevents heat damage in soft materials.
The technique is successfully demonstrated on non-resin embedded collagen,a bio material which serves as a case study for other soft tissues.

  • Poster
    The 62nd International Conference on Electron, Ion, and Photon Beam Technology and Nanofabrication, 29.05.-01.06.2018, Puerto Rico, USA
  • Lecture (Conference)
    2nd international HeFIB conference on Helium and emerging Focused Ion Beams, 11.-13.06.2018, Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-27526
Publ.-Id: 27526


Radiopharmaceutical evaluation of novel bifunctional chelators and bioconjugates for tumor imaging and therapy

Stephan, H.

The development of multi-functional complexing agents for radiometal nuclides with a view of nuclear medical application represents a field of research that is intensively dealt with and has rapidly been developing. In this context, ligands that form highly stable metal complexes and additionally possess several different functional groups are of particular interest. This enables the simultaneous introduction of targeting, solubilizing and, for example, fluorescent units into the relevant metal complexes. In this perspective, bifunctional chelating agents (BFCAs) based on 3,7-diazabicyclo[3.3.1]nonane (bispidine) and 1,4,7-triazacyclononane (TACN) are discussed. Examples of target-specific peptides and bio(nano)materials equipped with bispidine and TACN ligands for labeling with 64Cu as an ideal positron emitter are presented. This enables tumor imaging and the biodistribution of the materials to be studied over a period of days via positron emission tomography (PET). This lecture will also give an insight into the pre-targeting strategy using complementary oligonucleotides such as peptide nucleic acid (PNA) derivatives. The pre-targeting strategy allows for the rational use of long circulating, high affinity antibodies for both non-invasive cancer radioimmunodetection (RID) and –therapy (RIT).

  • Invited lecture (Conferences)
    IsoSiM Summer School 2018, Medical Isotope Production and Applications, 03.-07.06.2018, Harrison Hot Springs, Canada

Permalink: https://www.hzdr.de/publications/Publ-27525
Publ.-Id: 27525


An experimental investigation on the air-side heat transfer and flow resistance of finned short oval tubes at different tube tilt angles

Unger, S.; Beyer, M.; Arlit, M.; Stasch, P.; Hampel, U.

We experimentally studied the heat transfer and flow characteristics of finned oval tubes at different Reynolds numbers, fin spacing and tube orientation and compared results with correlations from literature. As assessment parameters we used the efficiency index, the performance evaluation criterion and the global performance criterion. For tubes in horizontal orientation (main flow direction perpendicular to the tube axis) we found an improvement of Nusselt number and a reduction of friction factor, when fin spacing increases. The efficiency index and the performance evaluation criterion improve with rising fin spacing and the global performance criterion remains almost constant. A substantial impact of tilt tube angle on Nusselt number and friction factor was observed. As the tube tilt angle rises from 0° to 40° Nusselt number and friction factor strongly increase. The horizontal tube orientation outperforms the tilted orientations in all performance parameters and at all Reynolds number. Thus, the performance is highest at 0° and worst at 40° tilt angle, since the increase in pressure drop dominates over the heat transfer enhancement. Based on the experimental outcome correlations between Nusselt number, friction factor and Reynolds number, fin spacing and tube tilt angle are recommended, which can be used to design finned oval tubes.

Keywords: Finned tube heat exchanger; Heat transfer; Flow resistance; Tube tilt angle; Thermal-flow performance; Heat transfer correlation

Permalink: https://www.hzdr.de/publications/Publ-27523
Publ.-Id: 27523


Individual Response to Ionizing Radiation and Personalized Radiotherapy

Domina, E.; Philchenkov, A.; Dubrovska, A.

Radiation therapy remains one of the most effective cancer treatments. Nevertheless, biology driven personalized radiation therapy which enables to treat the patients according to the biological characteristics of the individual tumors and normal tissues still needs to be implemented into clinic. Understanding the mechanisms of radiation response in both tumors and normal tissues is necessary to develop reliable predictive biomarkers for tumor radioresistance and normal tissue toxicity as well as to exploit new therapeutic opportunities for tumor radiosensitization. In this paper, we review the mechanisms of tumor radiosensitivity, the early and late responses of normal tissues to therapeutic radiation exposure and discuss possible implementation of these mechanisms for biology-driven personalized radiation treatment.

Keywords: ionizing radiation; DNA damage; DNA repair; cell cycle checkpoints; radiosensitivity; cancer; cancer stem cells; radiotherapy; radioresistance; marker

Permalink: https://www.hzdr.de/publications/Publ-27522
Publ.-Id: 27522


Untersuchungen zu den Wechselwirkungen zwischen unter Tage lebenden Mikroorganismen mit Uran und deren Einfluss auf das Migrationsverhalten von Uran in gefluteten Urangruben und Spektroskopische Bestimmung der Bindungsform (Speziation) trivalenter Actinide/Lanthanide in Biofluiden des menschlichen Gastrointestinaltraltes und im Blut

Arnold, T.; Barkleit, A.; Gerber, U.; Krawczyk-Bärsch, E.; Wilke, C.

Teil A:
Es wurde gezeigt, dass das Transportverhalten von Uran in der Umwelt und an den ehemaligen Uranabbaustätten stark von der Anwesenheit und Aktivität natürlich vorkommender Mikroorganismen abhängt. Die Untersuchungen zeigten, dass die Isolate eine hohe Toleranz gegenüber Uran aufweisen und in der Lage sind, relativ hohe Mengen an Uran zu immobilisieren und aus der umgebenden Lösung zu entfernen. Durch anaerobe Versuche konnte gezeigt werden, dass die mikrobielle Reduktion von Uran(VI) allein durch die Zugabe von 10 mM Glycerin bei zukünftigen Anwendungen als in situ Biosanierungsapplikationen genutzt werden könnte. Die Ergebnisse dieser Arbeit konnten die Wechselwirkungsmechanismen zwischen natürlich vorkommenden Mikroorganismen und Uran im Detail beschreiben und neue Zusammenhänge zwischen aktivem und inaktivem Stoffwechsel der Mikroorganismen zeigen. Zusammenfassend können diese einen wertvollen Beitrag zur Entwicklung von Biosanierungsansätzen für die Behandlung von Radionuklid-kontaminierten Standorten aus der ehemaligen Bergbauindustrie leisten.
Teil B:
Im Speichel dominiert neben einem kleinen Bindungsanteil an dem Enzym alpha-Amylase die Komplexierung mit anorganischen Liganden, im Magen dominiert aufgrund des sauren pH-Wertes das Eu- bzw. Cm-Aquo-Ion, und im Darm dominiert neben anorganischen Komplexen die Bindung der Metallionen an das Glycoprotein Mucin. Die starke Komplexfähigkeit von Mucin gegenüber dreiwertigen f-Elementen könnte die Absorption dieser im menschlichen Körper unterdrücken und deren Exkretion fördern. Die Ergebnisse dieser Arbeit geben neue Einblicke in das biochemische Verhalten dreiwertiger f-Elemente und können zudem zur Einschätzung von Gesundheitsrisiken nach der Inkorporation von Radionukliden und der Entwicklung von Dekontaminationstherapien beitragen.

Keywords: Mikroorganismen; Uran; Immobilisierung; U(VI)-Reduktion; dreiwertige f-Elemente; Speziation; Biofluide; Verdauungssystem; Laserfluoreszenzspektroskopie

  • Open Access Logo Wissenschaftlich-Technische Berichte / Helmholtz-Zentrum Dresden-Rossendorf; HZDR-098 2019
    ISSN: 2191-8708, eISSN: 2191-8716

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Permalink: https://www.hzdr.de/publications/Publ-27521
Publ.-Id: 27521


From Point to Line Defects in Two-Dimensional Transition Metal Dichalcogenides: Insights from Transmission Electron Microscopy and First-Principles Calculations

Komsa, H.-P.; Krasheninnikov, A. V.

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have recently received great deal of attention due to their unique properties associated with the reduced dimensionality of the system. The properties of these materials have been shown to be affected by atomic defects in the atomic network. The very structure of these materials which are composed from three atomic layers only, combined with dramatic improvements in microscopy techniques, made it possible to study the behavior of defects in these systems with unprecedented accuracy. Various point and line defects were identified, and their effects on the properties of the systems were accessed. It was demonstrated that point defects induced by electron beam irradiation coalesce in line defects, but their quasi-one dimensional atomic structure varies from member to member in the transition metal dichalcogenides family. In this review, we summarize recent experimental and theoretical findings in this area, discuss how the line structures appear due to the agglomeration of point defects, and dwell upon how line defects can be used to engineer properties of 2D TMDs. Finally, we address the challenges in this field and issues which still lack the explanation.

Keywords: 2D materials

  • Book chapter
    Vittorio Morandi, Luca Ottaviano: Carbon nanostructures book series (CARBON), EU: Springer, 2017, 71-85
    DOI: 10.1007/978-3-319-58134-7_6

Permalink: https://www.hzdr.de/publications/Publ-27520
Publ.-Id: 27520


Ring-like spatial distribution of laser accelerated protons in the ultra-high-contrast TNSA-regime

Becker, G. A.; Tietze, S.; Keppler, S.; Reislöhner, J.; Bin, J. H.; Bock, L.; Brack, F.-E.; Hein, J.; Hellwing, M.; Hilz, P.; Hornung, M.; Kessler, A.; Kraft, S. D.; Kuschel, S.; Liebetrau, H.; Ma, W.; Polz, J.; Schlenvoigt, H.-P.; Schorcht, F.; Schwab, M. B.; Seidel, A.; Zeil, K.; Schramm, U.; Zepf, M.; Schreiber, J.; Rykovanov, S.; Kaluza, M. C.

The spatial distribution of protons accelerated from submicron-thick plastic foil targets using multi-terawatt, frequency-doubled laser pulses with ultra-high temporal contrast has been investigated experimentally. A very stable, ring-like beam profile of the accelerated protons, oriented around the target's normal direction has been observed. The ring's opening angle has been found to decrease with increasing foil thicknesses. Two-dimensional particle-in-cell simulations reproduce our results indicating that the ring is formed during the expansion of the proton density distribution into the vacuum as described by the mechanism of target-normal sheath acceleration. Here - in addition to the longitudinal electric fields responsible for the forward acceleration of the protons - a lateral charge separation leads to transverse field components accelerating the protons in the lateral direction.

Keywords: laser-plasma interaction; proton acceleration; proton beam profile; target normal sheath acceleration

Permalink: https://www.hzdr.de/publications/Publ-27519
Publ.-Id: 27519


Metal-organic complexes of tetravalent actinides with soft-donor ligands investigated by paramagnetic NMR spectroscopy

Schöne, S.; Radoske, T.; Felsner, B.; Patzschke, M.; März, J.; Kaden, P.

In NMR spectra of paramagnetic metal-organic complexes electronic interactions are the origin of additional NMR chemical shifts observed on resonances of nuclei of the ligand. The major two contributors to these hyperfine shifts are Fermi-contact shifts (FCS) and pseudo-contact shifts (PCS). FCS are due to delocalisation of unpaired electron density in molecular orbitals involving both metal and ligand orbitals and thus report on the bond properties. PCS are originating from distance- and angle-dependent dipolar coupling of electron spins through space and are therefore bearing structural information.
The paramagnetic contributions can be mathematical separated provided that a suitable diamagnetic reference is available (to subtract non-paramagnetic contributions). For the trivalent actinides no diamagnetic reference in the same series is available in milligram scale. Furthermore, all available theories behind mathematical disentangling of contributions to the paramagnetic chemical shift, even for the lanthanide series, omit the influence of spin-orbit effects that might have a sizeable contribution.[1,2]
Comparing studies of isostructural diamagnetic complexes of both f-element series of tetravalent metal ions (Ce(IV) and Th(IV)) allow for an estimation of additional influences to the chemical shifts and the effect of contributions usually omitted by commonly used mathematical theories.
We started to study paramagnetic metal-organic complexes of the tetravalent actinides (An(IV)). Throughout the 5f-series additional effects to the observed chemical shift are expected with increasing number of unpaired electrons. Assessing the chemical bonding situation is possible via the influences on NMR chemical shifts (via FCS) and structural properties of the complexes (via PCS) can be compared to SC-XRD structures. Herein we report the first results of investigations of N- and N,O-donor ligand complexes of the An(IV) series.

References
1 C. Adam, P. Kaden, B. B. Beele, U. Müllich, S. Trumm, A. Geist, P. J. Panak, M. A. Denecke, “Evidence for covalence in a N-donor complex of americium(III)”, Dalton Trans., 42, 14068-14074 (2013).
2. C. Adam, B. B. Beele, A. Geist, U. Müllich, P. Kaden, P. J. Panak, “NMR and TRLFS studies of Ln(III) and An(III) C5-BPP complexes”, Chemical Science, 6, 1548-1561 (2015).

Keywords: NMR; paramagnetic; Actinide; N-donor; FCS; PCS

  • Lecture (Conference)
    ISNSC - 10th International Symposium on Nano and Supramolecular Chemistry 2018, 09.-12.07.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27518
Publ.-Id: 27518


Paramagnetic NMR investigations in metal-organic complexes of tetravalent actinides with soft-donor ligands

Schöne, S.; Radoske, T.; Felsner, B.; Patzschke, M.; März, J.; Kaden, P.

Electronic interactions between metal and ligand are the origin of additional NMR chemical shifts observed on nuclei of the ligand in paramagnetic metal-organic complexes. The major two contributors to these paramagnetic chemical shifts are Fermi-contact shifts (FCS) and pseudo-contact shifts (PCS). FCS are due to delocalisation of unpaired electron density in molecular orbitals involving both metal and ligand orbitals and thus report on the bond properties. PCS are originating from distance- and angle-dependent dipolar coupling of electron spins through space and are therefore bearing structural information.
The mathematical separation of paramagnetic contributions in complexes relies on the availability of a suitable diamagnetic reference to subtract non-paramagnetic contributions. For the trivalent actinides no diamagnetic reference in the same series is available in milligram scale. Furthermore, all available theories behind mathematical disentangling of contributions to the paramagnetic chemical shift, even for the lanthanide series, omit the influence of spin-orbit effects that might have a sizeable contribution as well. [1,2]
Comparing isostructural diamagnetic complexes of both f-element series of tetravalent metal ions (Ce(IV) and Th(IV)) allows for an estimation of additional influences to the chemical shifts and the effect of contributions usually omitted by commonly used mathematical theories.
To assess the chemical bonding situation via the influences on NMR chemical shifts (via FCS) we started to study paramagnetic metal-organic complexes of the tetravalent actinides (An(IV)). With increasing number of unpaired electrons throughout the 5f-series additional effects to the observed chemical shift are expected. Structural properties of the complexes as derived from PCS contributions can be compared to single crystal X-ray diffraction structures. Herein we report the first results of investigations of N- and N,O-donor ligand complexes of the An(IV) series.

References
1 C. Adam, P. Kaden, B. B. Beele, U. Müllich, S. Trumm, A. Geist, P. J. Panak, M. A. Denecke, “Evidence for covalence in a N-donor complex of americium(III)”, Dalton Trans., 42, 14068-14074 (2013).
2. C. Adam, B. B. Beele, A. Geist, U. Müllich, P. Kaden, P. J. Panak, “NMR and TRLFS studies of Ln(III) and An(III) C5-BPP complexes”, Chemical Science, 6, 1548-1561 (2015).

Keywords: NMR; paramagnetic; Actinide; N-donor; FCS; PCS; structure determination; solution

  • Lecture (Conference)
    18th Radiochemical Conference - RadChem 2018, 13.-18.05.2018, Mariánské Lázně, Tschechische Rupublik
  • Contribution to proceedings
    18th Radiochemical Conference, 13.-18.05.2018, Mariánské Lázně, Tschechische Rupublik
    Czech Chemical Society Symposium Series 2

Permalink: https://www.hzdr.de/publications/Publ-27517
Publ.-Id: 27517


Nanohardening features in ion and neutron irradiated EUROFER97 and model alloys investigated with atom probe tomography

Gómez-Ferrer, B.; Heintze, C.; Dethloff, C.; Gaganidze, E.; Konstantinovic, M. J.; Malerba, L.; Pareige, P.; Pareige, C.

Among other effects, neutron irradiation hardens ferritic/martensitic (F/M) nuclear steels; this hardening is suspected to be due to the formation of dislocation loops, alpha' phase and solute-rich clusters (SRCs). In neutron irradiated FeCr model alloys the SRCs which are made of unavoidable impurities such as P are likely to be the main contributors to the yield strength increase, together with the presence of alpha' precipitates, if any [1,2]. Ion irradiation is an extended tool used to investigate the creation and evolution of radiation damage. Since the experiments are fast they offer the possibility to tune the parameters to design model-oriented experiments. Their use is also oriented to reproduce the effects of neutrons for nuclear applications. However, the characteristics of the nano-sized features (solute concentration, density, size and size distribution) are difficult to reproduce using ions with respect to neutrons, since the increase of the sink strength due to injecte d inters titials [3,4] and the high values of damage rate [5] influence defect production and evolution.
Atom probe tomography (APT) is used in the present work to investigate the hardening nanofeatures in irradiated materials. First, an Fe14CrNiSiP model alloy has been irradiated with both Fe+ ions and neutrons up to a dose of 0.1 dpa at 300°C. At such low doses some features, such as SRCs or Cr-rich regions, are formed, thus a direct comparison can be made to highlight differences and commonalities between the two kinds of irradiation; these results can also be used for the development of models. Second, a similar investigation has been made on neutron irradiated EUROFER97 up to 15 dpa at 300°C. The presence of radiation induced segregation (RIS) and radiation enhanced features can be correlated to the model alloy providing some insights on the nature of the hardening in F/M steels.

  • Lecture (Conference)
    E-MRS 2018 Spring Meeting, 18.-22.06.2018, Strasbourg, France

Permalink: https://www.hzdr.de/publications/Publ-27516
Publ.-Id: 27516


Critical heat flux as a mass flux dependent local or global phenomenon: Theoretical analysis and experimental confirmation

Ding, W.; Geißler, T.; Krepper, E.; Hampel, U.

In this article, we report on a theoretical analysis and experimental investigations on critical heat flux (CHF) in subcooled flow boiling. Commonly, CHF is considered as a local phenomenon. A validated CHF- concept recently developed in our group indicated that CHF may be initiated in two different ways, that is, locally and globally. We designed and conducted an experiment to verify this hypothesis. The experimental results agree well with the expectations from our CHF- modelling and confirm the two mechanisms. Following that, we continued to clarify the role of different parameters, such as channel orientation, channel length and hydraulic diameter. The new concept of CHF is useful to explain and predict CHF at conditions of low pressure and low fluid velocity.

Keywords: boiling; critical heat flux; initiation mechanisms

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Permalink: https://www.hzdr.de/publications/Publ-27515
Publ.-Id: 27515


Application of an Eulerian-Eulerian CFD approach to simulate the thermohydraulics of rod bundles

Ding, W.; Krepper, E.; Sarker, D.; Hampel, U.

The Eulerian-Eulerian computational fluid dynamics (CFD) approach is widely applied in the simulation of industrial scale thermal fluid dynamics problems, such as flow and heat transfer in fuel elements. However, the case dependency of sub models in the Eulerian-Eulerian CFD approach currently hampers its applicability. In order to reduce this dependency, a sub model to predict the bubble departure in both pool and flow boiling was developed in our group, which includes the impact of microlayer, thermal diffusion, condensation, mutual effect and force balance. Moreover, we also raised a new CHF- concept. It is currently based on correlations but we are continuously working on a transition to a fully physics-based model, which e.g. considers the dependency of boiling on the microlayer thickness, bubble base expansion speed and local shear stress. In order to implement the bubble dynamics model and CHF model into the Eulerian-Eulerian CFD framework, a new cavity activation and heat partitioning model was developed, which is not only used for bubble nucleation but also connects the nucleation boiling and CHF- in one CFD approach. However nucleation site density is strongly dependent on the surface properties, which is difficult to model without correlations.

  • Contribution to proceedings
    49th Annual Meeting on Nuclear Technology (AMNT 2018), 29.-30.05.2018, Berlin, Germany
    49th Annual Meeting on Nuclear Technology

Permalink: https://www.hzdr.de/publications/Publ-27514
Publ.-Id: 27514


Long-term quality of life in inoperable non-small cell lung cancer patients treated with conventionally fractionated compared to hyperfractionated accelerated radiotherapy - Results of the randomized CHARTWEL trial

Hechtner, M.; Krause, M.; Konig, J.; Appold, S.; Hornemann, B.; Singer, S.; Baumann, M.

Background and purpose: To evaluate the quality of life (QoL) of patients with inoperable non-small cell lung cancer treated with conventionally fractionated radiotherapy (CF) vs. continuous hyperfractionated accelerated radiotherapy weekend-less (CHARTWEL).
Material and methods: The largest monocentric subgroup of the phase III CHARTWEL trial was analyzed up to three years after randomization. QoL was assessed with the European Organization for Research and Treatment of Cancer QoL Core Questionnaire (QLQ-C30) and lung cancer module (QLQ-LC13) and compared using linear mixed models. QoL interrelations with recurrence, metastasis, and death were explored by multi-state modeling.
Results: 160 patients (98%) provided at least one QoL assessment.
Average treatment differences of CF vs. CHARTWEL over three years were -5.4 points (95%CI [-13.6,2.8], p = 0.19) in global QoL, 11.9 ([2.8,21.0], p = 0.01) in fatigue, 13.4 ([3.5,23.3], p = 0.009) in pain, 10.5 ([1.3,19.6], p = 0.03) in dyspnea, and 5.2 ([-2.7,13.0], p = 0.19) in dysphagia. At 12 months, the probabilities of being disease-free with good, good or moderate, any global QoL, or alive were 5.1%, 20.3%, 34.2%, 54.4% under CF and 10.4%, 21.0%, 37.5%, 65.3% under CHARTWEL.
Conclusions: Over three years, QoL was similar or more favorable under CHARTWEL compared to CF. Modeling QoL together with disease states provided additional insight into treatment comparisons.

Keywords: Quality of life; Non-small cell lung cancer; Accelerated radiotherapy; Hyperfractionation; Randomized trial; Multi-state model

Permalink: https://www.hzdr.de/publications/Publ-27513
Publ.-Id: 27513


Cognitive deficits following brain tumor radiation therapy

Buthut, M.; Haussmann, R.; Seidlitz, A.; Krause, M.; Donix, M.

Brain radiation is an important treatment option for malignant and benign brain diseases. The possible acute or chronic impact of radiation therapy on cognitive performance is important for daily functioning and quality of life. A detailed evaluation of cognitive impairment is important in the context of how to control disease progression. The susceptibility of the hippocampus to radiation-induced neuronal damage and its important role in memory highlight that therapeutic strategies require precision medicine.

Permalink: https://www.hzdr.de/publications/Publ-27512
Publ.-Id: 27512


Magnetohydrodynamic Simulation: Liquid Metal Batteries, Crystal Growth & Steel Casting

Weber, N.; Beckstein, P.; Galindo, V.; Giesecke, A.; Liu, K.; Pal, J.; Personnettaz, P.; Stefani, F.; Timmel, K.; Weier, T.

Der Vortrag gibt einen Überblick über numerische Simulationen der Abteilung Magnetohydrodynamik am HZDR.

  • Lecture (Conference)
    OpenFOAM Stammtisch United, 24.05.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27511
Publ.-Id: 27511


Instrumentation for Liquid Metal Facilities

Gundrum, T.; Krauter, N.; Wondrak, T.; Richter, T.; Keplinger, O.; Franke, S.; Eckert, S.

Instrumentation for Liquid Metal Facilities an overview and present work

  • Invited lecture (Conferences)
    ESFR-SMART European workshop on Liquid Metal facilities; focus on sodium facilities design & safe operation, 22.-24.05.2018, Rom, Italia

Permalink: https://www.hzdr.de/publications/Publ-27510
Publ.-Id: 27510


Quantum Criticality of an Ising-like Spin-1/2 Antiferromagnetic Chain in a Transverse Magnetic Field

Wang, Z.; Lorenz, T.; Gorbunov, D. I.; Cong, P. T.; Kohama, Y.; Niesen, S.; Breunig, O.; Engelmayer, J.; Herman, A.; Wu, J.; Kindo, K.; Wosnitza, J.; Zherlitsyn, S.; Loidl, A.

We report on magnetization, sound velocity, and magnetocaloric-effect measurements of the Ising-like spin-1/2 quantum antiferromagnetic chain BaCo$_2$V$_2$O$_8$ as a function of temperature down to 1.3~K and applied transverse magnetic field up to 60~T. While across the Ne\'{e}l temperature of $T_N\sim5$~K anomalies in magnetization and sound velocity confirm the antiferromagnetic ordering transition, at the lowest temperature in the field-dependent measurements we find a sharp softening of sound velocity and a clear temperature minimum at $B^{c,3D}_\perp=21.4$~T, indicating suppression of the antiferromagnetic order. At higher fields, magnetocaloric-effect measurements reveal a broad temperature minimum at $B^c_\perp = 40$~T, accompanied by a broad minimum of sound velocity and a saturation-like level-off in magnetization. These features signal a quantum phase transition that is further quantified by the divergent behavior of Gr\"{u}neisen parameter $\Gamma_B \propto (B-B^{c}_\perp)^{-1}$. By contrast, at the critical field the Gr\"{u}neisen parameter converges to a constant as temperature decreases towards zero, which is a distinct characteristics of the one-dimensional transverse-field Ising quantum critical point.

Keywords: Spin chain; quantum critical point; transverse field Ising model; BaCo2V2O8; magnetization; sound velocity; magnetocaloric effects

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Permalink: https://www.hzdr.de/publications/Publ-27509
Publ.-Id: 27509


Magnetic field dependence of antiferromagnetic resonance in NiO

Wang, Z.; Kovalev, S.; Awari, N.; Chen, M.; Germanskiy, S.; Green, B.; Deinert, J.-C.; Kampfrath, T.; Milano, J.; Gensch, M.

We report on measurements of magnetic field and temperature dependence of antiferromagnetic resonances in the prototypical antiferromagnet NiO. The frequencies of the magnetic resonances in the vicinity of 1 THz have been determined in the time-domain via time-resolved Faraday measurements after selective excitation by narrow-band superradiant terahertz (THz) pulses at temperatures down to 3 K and in magnetic fields up to 10 T. The measurements reveal two antiferromagnetic resonance modes, which can be distinguished by their characteristic magnetic field dependencies. The nature of the two modes is discussed by comparison to an eight-sublattice antiferromagnetic model, which includes superexchange between the next-nearest-neighbor Ni spins, magnetic dipolar interactions, cubic magneto-crystalline anisotropy, and Zeeman interaction with the external magnetic field. Our study indicates that a two-sublattice model is insufficient for the description of spin dynamics in NiO, while the magnetic-dipolar interactions and magneto-crystalline anisotropy play important roles.

Keywords: NiO; terahertz spectroscopy; antiferromagnetic resonance; magnetic field

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Permalink: https://www.hzdr.de/publications/Publ-27508
Publ.-Id: 27508


Towards femtosecond-level intrinsic laser synchronization at fourth generation light sources

Chen, M.; Kovalev, S.; Awari, N.; Wang, Z.; Germanskiy, S.; Green, B.; Deinert, J.-C.; Gensch, M.

In this Letter, the proof of principle for a scheme providing intrinsic femtosecond-level synchronization between an external laser system and fourth generation light sources is presented. The scheme is applicable at any accelerator-based light source that is based on the generation of coherent radiation from ultrashort electron bunches such as superradiant terahertz (THz) facilities or X-FELs. It makes use of a superradiant THz pulse generated by the accelerator as an intrinsically synchronized gate signal for electro-optical slicing. We demonstrate that the scheme enables a reduction of the timing instability by more than 2 orders of magnitude. This demonstration experiment thereby proves that intrinsically synchronized time-resolved experiments utilizing laser and accelerator-based radiation pulses on few tens of femtosecond (fs) to few fs timescales are feasible.

Keywords: Synchronization; THz slicing; Spectral Decoding

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Permalink: https://www.hzdr.de/publications/Publ-27507
Publ.-Id: 27507


SRF gun II - status as of April 2018

Arnold, A.; Teichert, J.; Xiang, R.; Murcek, P.

In May 2014 the 1st superconducting photo injector (SRF gun) at HZDR was replaced by a new gun, featuring a new resonator and a new cryostat. The intention for this upgrade was to reach higher beam energy, higher bunch charge and lower emittance at the same time. With the improved parameters user experiments of the superconducting CW accelerator ELBE are to be served, that benefit from an increased average beam current at a given repetition rate of some hundred kHz. Although the cavity performance stays behind its specifications, the SRF gun has been optimized for an operation mode at 200 pC and a repetition rate of 100 kHz to generate four times more THz pulse energy then possible by ELBE's thermionic injector. Because of this significant improvement, the new gun has been recently used for first user shifts at the THz facility at ELBE. In this contribution we will report on first results and operational experiences.

Keywords: SRF gun; superconducting RF injector; ELBE; electron source

  • Lecture (others)
    HOPE II Projekttreffen im Rahmen BMBF Verbundforschungsinitiative, 16.04.2018, Mainz, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27506
Publ.-Id: 27506


Structure of 13Be studied in proton knockout from 14B

Ribeiro, G.; Nacher, E.; Tengblad, O.; Diaz Fernandez, P.; Aksyutina, Y.; Alvarez-Pol, H.; Atar, L.; Aumann, T.; Avdeichikov, V.; Beceiro-Novo, S.; Bemmerer, D.; Benlliure, J.; Bertulani, C. A.; Boillos, J. M.; Boretzky, K.; Borge, M. J. G.; Caamano, M.; Caesar, C.; Casarejos, E.; Catford, W.; Cederkall, J.; Chartier, M.; Chulkov, L.; Cortina-Gil, D.; Cravo, E.; Crespo, R.; Datta Pramanik, U.; Dillmann, I.; Elekes, Z.; Enders, J.; Ershova, O.; Estrade, A.; Farinon, F.; Fraile, L. M.; Freer, M.; Fynbo, H. O. U.; Galaviz, D.; Geissel, H.; Gernhäuser, R.; Golubev, P.; Göbel, K.; Hagdahl, J.; Heftrich, T.; Heil, M.; Heine, M.; Heinz, A.; Henriques, A.; Holl, M.; Hufnagel, A.; Ignatov, A.; Johansson, H. T.; Jonson, B.; Kalantar-Nayestanaki, N.; Kanungo, R.; Kelic-Heil, A.; Kurz, N.; Kröll, T.; Labiche, M.; Langer, C.; Le Bleis, T.; Lemmon, R.; Lindberg, S.; Machado, J.; Marganiec, J.; Movsesyan, A.; Nilsson, T.; Nociforo, C.; Panin, V.; Paschalis, S.; Perea, A.; Petri, M.; Pietri, S.; Plag, R.; Reifarth, R.; Rigollet, C.; Riisager, K.; Rossi, D.; Röder, M.; Savran, D.; Scheit, H.; Simon, H.; Sorlin, O.; Syndikus, I.; Taylor, J. T.; Thies, R.; Velho, P.; Wagner, A.; Wamers, F.; Vandebrouck, M.; Weick, H.; Wheldon, C.; Wilson, G.; Wimmer, C.; Winfield, J. S.; Woods, P.; Zhukov, M. V.; Zilges, A.; Zuber, K.

The neutron-unbound isotope 13Be has been studied in several experiments using different reactions, different projectile energies and different experimental setups. There is, however, no real consensus in the interpretation of the data, in particular concerning the structure of the low-lying excited states. Gathering new experimental information, which may reveal the 13Be structure, is a challenge, in particular in light of its bridging role between 12Be, where the N=8 neutron-shell breaks down, and the Borromean halo nucleus 14Be. The purpose of the present study is to investigate the role of bound excited states in the reaction product 12Be after proton knockout from 14B, by measuring coincidences between 12Be, neutrons, and rays originating from de-excitation of states fed by neutron decay of 13Be. The 13Be isotopes were produced in proton-knockout from a 400 MeV/u 14B beam impinging on a CH2 target. The 12Be-n relative-energy spectrum dsigma=dEfn was obtained from coincidences between 12Be(g.s.) and a neutron, and also as threefold coincidences by adding rays, from the de-excitation of excited states in 12Be. Neutron decay from the first 5=2+ state in 13Be to the 2+ state in 12Be at 2.11 MeV is cofirmed. An energy-independence of the proton-knockout mechanism is found from a comparison with data taken with a 35 MeV/u 14B beam. A low-lying p-wave resonance in 13Be(1/2+) is confirmed by comparing proton- and neutron-knockout data from 14B and 14Be.

Keywords: radioactive beams; nuclear structure; unbound nuclei; 13Be

Permalink: https://www.hzdr.de/publications/Publ-27505
Publ.-Id: 27505


Cm3+/ Eu3+ Induced Structural, Mechanistic and Functional Implications for Calmodulin

Drobot, B.; Schmidt, M.; Mochizuki, Y.; Abe, T.; Okuwaki, K.; Brulfert, F.; Falke, S.; Samsonov, S.; Komeiji, Y.; Betzel, C.; Stumpf, T.; Raff, J.; Tsushima, S.

Trivalent actinides and their lanthanide holmologues are being scrutinized for their potential health risk when ingested through a range of industrial activities such as mining. Importantly, these ions are known to exhibit high affinity towards calmodulin (CaM). In case of their inadvertent uptake, the holoproteins that are occupied by these cations may block signal transduction pathways or increase the concentration of these ions in intact cells, which could lead to accumulation in human organs. Accordingly, this investigation employed spectroscopy, computational chemistry, calorimetry, and biochemistry to study the results of metal ion substitution on the protein structure, enzymatic activity and chemo- and cytotoxicity of An3+/Ln3+ ions. As will be demonstrated herein, our data confirm the higher affinity of Cm3+ and Eu3+ compared to Ca2+ to all 4 binding sites of CaM, with one site differing from the remaining three. This higher-affinity site will complex Eu3+ in an exothermic fashion; in contrast, ion binding to the three lower-affinity EF-hands was found to be endothermic. The overall endothermic binding process is ascribed to the loss of the hydration shells of the trivalent ions upon protein binding. These findings are supported by extensive quantum chemical calculations of full holo-CaM, which were performed at the MP2 level using the fragment molecular orbital method. The exceptional binding site (EF-hand 3) features fewer negatively charged residues compared to the other EF-hands, thereby allowing Eu3+ and Cm3+ to carry one or two additional waters compared to Ca2+-CaM, while also causing the structure of Cm3+ / Eu3+-CaM to become slightly disordered. Moreover, the enzymatic activity decreases somewhat in comparison to Ca2+-CaM. By utilizing a combination of techniques, we were able to generate a comprehensive picture of the CaM-actinide/lanthanide system from the molecular level to its functional impact. Such knowledge could also be applied to other metal-binding proteins.

  • Physical Chemistry Chemical Physics 21(2019)38, 21213-21222
    Online First (2019) DOI: 10.1039/C9CP03750K

Permalink: https://www.hzdr.de/publications/Publ-27504
Publ.-Id: 27504


Pushing the limits of applicability of REBCO coated conductor films through fine chemical tuning and nanoengineering of inclusions

Rizzo, F.; Augieri, A.; Kursumovic, A.; Bianchetti, M.; Opherden, L.; Sieger, M.; Hühne, R.; Hänisch, J.; Meledin, A.; van Tendeloo, G.; Macmanus-Driscol, J. L.; Celentano, G.

An outstanding current carrying performance (namely critical current density, Jc) over a broad temperature range of 10–77 K for magnetic fields up to 12 T is reported for films of YBa2Cu3O7−x with Ba2Y(Nb,Ta)O6 inclusion pinning centres (YBCO-BYNTO) and thicknesses in the range of 220–500 nm. Jc values of 10 MA cm−2 were measured at 30 K – 5 T and 10 K – 9 T with a corresponding maximum of the pinning force density at 10 K close to 1 TN m−3. The system is very flexible regarding properties and microstructure tuning, and the growth window for achieving a particular microstructure is wide, which is very important for industrial processing. Hence, the dependence of Jc on the magnetic field angle was readily controlled by fine tuning the pinning microstructure. Transmission electron microscopy (TEM) analysis highlighted that higher growth rates induce more splayed and denser BYNTO nanocolumns with a matching field as high as 5.2 T. Correspondingly, a strong peak at the B||c-axis is noticed when the density of vortices is lower than the nanocolumn density. YBCO-BYNTO is a very robust and reproducible composite system for high-current coated conductors over an extended range of magnetic fields and temperatures.

Permalink: https://www.hzdr.de/publications/Publ-27503
Publ.-Id: 27503


Anomalous Hall effect in fully compensated half-metallic Mn₂RuₓGa thin films

Fowley, C.; Rode, K.; Lau, Y. C.; Thiyagarajah, N.; Betto, D.; Borisov, K.; Atcheson, G.; Kampert, E.; Wang, Z.; Yuan, Y.; Zhou, S.; Lindner, J.; Stamenov, P.; Coey, J. M. D.; Deac, A. M.

High-field magnetotransport is investigated in thin films of half-metallic ferrimagnet Mn₂RuₓGa. A non-vanishing Hall signal is observed over a broad temperature range, spanning the compensation temperature (155K), where the net magnetic moment is strictly zero, the Hall conductivity is 6673 Ohm⁻¹ m⁻¹ and the coercivity exceeds 9T. Molecular field modelling is used to determine the intra- and inter-sublattice exchange constants and from the spin-flop transition we infer the anisotropy of the electrically active sublattice to be 216 kJm⁻³ and predict the magnetic resonances frequencies. Exchange and anisotropy are comparable and hard-axis applied magnetic fields result in a tilting of the magnetic moments from their collinear ground state. Our analysis is applicable to collinear ferrimagnetic half-metal systems.

Keywords: Ferrimagnetism; Magnetotransport; Half-metals; Anomalous Hall effect; Magnetic anisotropy; Exchange interaction

  • Invited lecture (Conferences)
    Intermag 2018, 23.-27.04.2018, Singapore, Singapore
  • Open Access Logo Physical Review B 98(2018), 220406(R)
    DOI: 10.1103/PhysRevB.98.220406

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Permalink: https://www.hzdr.de/publications/Publ-27502
Publ.-Id: 27502


Features of magnetization behavior in the rare-earth intermetallic compound (Nd0.5Ho0.5)2Fe14B

Kostyuchenko, N. V.; Tereshina, I. S.; Gorbunov, D. I.; Tereshina-Chitrova, E. A.; Andreev, A. V.; Doerr, M.; Politova, G. A.; Zvezdin, A. K.

The crystal-electric field parameters are determined for the (Nd0.5Ho0.5)2Fe14B compound by analyzing experimental magnetization curves obtained in magnetic fields up to 60 T. The values of the crystal-field parameters B2 0, B4 0, B6 0, B4 4, B6 4 are 56.3, −73.2, −10.74, −8.9, 0 cm−1 for Nd3+ ion and 312.38, −176.78, 89.2, −88.43, 0 cm−1 for Ho3+ ion. The transition from the ferri- to the field-induced ferromagnetic state has been studied in detail.

Permalink: https://www.hzdr.de/publications/Publ-27501
Publ.-Id: 27501


Magnetic and magnetocaloric properties of single Crystal (Nd0.5Pr0.5)2Fe14B

Politova, G. A.; Tereshina, I. S.; Gorbunov, D. I.; Paukov, M. A.; Andreev, A. V.; Grechishkin, R. M.; Rogacki, K.

In this work the magnetic and magnetocaloric properties of a (Nd0.5Pr0.5)2Fe14B single crystal have been investigated in a wide range of temperatures and magnetic fields. Magnetic phase transition temperatures (spin-reorientation transition (SRT) at TSR = 73 K and Curie point at Tc = 570 K) were determined together with the values of saturation magnetization Ms and magnetocrystalline anisotropy constants K1 and K2. In the vicinity of a spin-reorientation magnetic phase transition, the value of the magnetocaloric effect was determined as an isothermal magnetic entropy change (DSM). The universal curve of ΔS´(ʘ) around TSR under various magnetic field changes has been constructed by using a phenomenological procedure. It is found that this approach is applicable to materials with a second-order spin-reorientation phase transition.

Permalink: https://www.hzdr.de/publications/Publ-27500
Publ.-Id: 27500


Complex magnetic order in the kagome ferromagnet Pr3Ru4Al12

Henriques, M. S.; Gorbunov, D. I.; Andreev, A. V.; Fabrèges, X.; Gukasov, A.; Uhlarz, M.; Petricek, V.; Ouladdiaf, B.; Wosnitza, J.

In the hexagonal crystal structure of Pr3Ru4Al12, the Pr atoms form a distorted kagome lattice, and their magnetic moments, are subject to competing exchange and anisotropy interactions.We performed magnetization, magnetic-susceptibility, specific-heat, electrical-resistivity, and neutron-scattering measurements. Pr3Ru4Al12 is a uniaxial ferromagnet with TC = 39 K that displays a collinear magnetic structure (in the high-temperature range of the magnetically ordered state) for which the only crystallographic position of Pr is split into two sites carrying different magnetic moments. A spin-reorientation phase transition is found at 7 K. Below this temperature, part of the Pr moments rotate towards the basal plane, resulting in a noncollinear magnetic state with a lower magnetic symmetry. We argue that unequal RKKY exchange interactions competing with the crystal electric field lead to a moment instability and qualitatively explain the observed magnetic phases in Pr3Ru4Al12.

Permalink: https://www.hzdr.de/publications/Publ-27499
Publ.-Id: 27499


CFD Modeling and Simulation of Heat and Mass Transfer in Passive Heat Removal Systems

Moonesi Shabestary, A.; Krepper, E.; Lucas, D.

This paper is presenting the CFD-modelling and simulation of condensation inside passive heat removal systems. Designs of future nuclear boiling water reactor concepts are equipped with emergency cooling systems which are passive systems for heat removal. The emergency cooling system consists of slightly inclined horizontal pipes which are immersed in a tank of subcooled water. At normal operation conditions, the pipes are filled with water and no heat transfer to the secondary side of the condenser occurs. In the case of some accident scenarios the water level may decrease in the core, steam enters the emergency pipes and due to the subcooled water around the pipe, this steam condenses. The emergency condenser acts as a strong heat sink which is responsible for a quick depressurization of the reactor core.
This procedure acts passive i.e. without any additional external measures. The actual project is defined to model the phenomena which are occurring inside the emergency condensers. The focus of the project is on detection of different morphologies such as annular flow, stratified flow, slug flow and plug flow and also modeling of the laminar film which is occurring during the condensation near the wall.

  • atw - International Journal for Nuclear Power 63(2018)4

Permalink: https://www.hzdr.de/publications/Publ-27498
Publ.-Id: 27498


Bethe‐Strings: Exotische Anregungen in Spinsystemen

Wang, Z.; Loidl, A.

Hans Bethe sagte 1931 in einer fundamentalen Arbeit die Existenz von stark gebundenen Zuständen von Quasiteilchen voraus. Nun konnte eine internationale Kooperation erstmals derartige Bethe‐Strings in einem Kristall nachweisen.

Keywords: Spin Kette; Quasiteilchen; String Erregungen; Hans Bethe

Permalink: https://www.hzdr.de/publications/Publ-27497
Publ.-Id: 27497


Stability and instability of hydromagnetic Taylor–Couette flows

Rüdiger, G.; Gellert, M.; Hollerbach, R.; Schultz, M.; Stefani, F.

Decades ago S. Lundquist, S. Chandrasekhar, P. H. Roberts and R. J. Tayler first posed questions about the stability of Taylor–Couette flows of conducting material under the influence of large-scale magnetic fields. These and many new questions can now be answered numerically where the nonlinear simulations even provide the instability-induced values of several transport coefficients. The cylindrical containers are axially unbounded and penetrated by magnetic background fields with axial and/or azimuthal components. The influence of the magnetic Prandtl number Pm on the onset of the instabilities is shown to be substantial. The potential flow subject to axial fields becomes unstable against axisymmetric perturbations for a certain supercritical value of the averaged Reynolds number (with Re the Reynolds number of rotation, Rm its magnetic Reynolds number). Rotation profiles as flat as the quasi-Keplerian rotation law scale similarly but only for Pm >> 1 while for the instability instead sets in for supercritical Rm at an optimal value of the magnetic field. Among the considered instabilities of azimuthal fields, those of the Chandrasekhar-type, where the background field and the background flow have identical radial profiles, are particularly interesting. They are unstable against nonaxisymmetric perturbations if at least one of the diffusivities is non-zero. For Pm << 1the onset of the instability scales with Re while it scales with Rm for Pm >> 1. Even superrotation can be destabilized by azimuthal and current-free magnetic fields; this recently discovered nonaxisymmetric instability is of a double-diffusive character, thus excluding Pm=1 . It scales with Re for Pm -> 0 and with Rm for Pm -> infinity.
The presented results allow the construction of several new experiments with liquid metals as the conducting fluid. Some of them are described here and their results will be discussed together with relevant diversifications of the magnetic instability theory including nonlinear numerical studies of the kinetic and magnetic energies, the azimuthal spectra and the influence of the Hall effect.

Permalink: https://www.hzdr.de/publications/Publ-27496
Publ.-Id: 27496


Experiences with the SRF Gun II for User Operation at the ELBE Radiation Source

Teichert, J.; Arnold, A.; Bawatna, M.; Evtushenko, P. E.; Gensch, M.; Green, B. W.; Kovalev, S.; Lehnert, U.; Lu, P. N.; Michel, P.; Murcek, P.; Vennekate, H.; Xiang, R.

The second version of the superconducting RF photoinjector (SRF Gun II) was successfully commissioned at the ELBE radiation source in 2014. The gun features an improved 3.5-cell niobium cavity combined with a superconducting solenoid integrated in the cryostat. With a Mg photocathode the SRF Gun II is able to generate bunches with up to 200 pC and with sub-ps length in CW mode with 100 kHz pulse frequency for the THz radiation facility at ELBE. In the ELBE linac, the beam is accelerated, gets a proper correlated energy spread, and is compressed in a magnetic chicane. Sub-ps pulses are obtained producing coherent diffraction radiation and superradiant undulator radiation.

Keywords: electron source; SRF gun; superconducting RF; THz radiation; coherent diffration radiation; superradiant radiation; ELBE

  • Poster
    9th International Particle Accelerator Conference IPAC´18, 29.04.-04.05.2018, Vancouver, Canada
  • Open Access Logo Contribution to proceedings
    9th International Particle Accelerator Conference IPAC´18, 29.04.-04.05.2018, Vancouver, Canada
    Proceedings of the 9th International Particle Accelerator Conference IPAC´18, Genf: JACoW, 1247-1250
    DOI: 10.18429/JACoW-IPAC2018-THPMF040

Permalink: https://www.hzdr.de/publications/Publ-27495
Publ.-Id: 27495


Study of Magnesium Photocathodes for Superconducting RF Photoinjectors

Xiang, R.; Arnold, A.; Lu, P. N.; Murcek, P.; Teichert, J.; Vennekate, H.

The superconducting RF photoinjector (SRF Gun II) has successfully served for the ELBE user facility at HZDR. The quality of photocathodes is one of the most critical issues in improving the stability and reliability for its application. Mg has a comparably low work function and shows quantum efficiency up to 0.3% after laser cleaning. But the present cleaning with a high intensity laser beam is time consuming and produces unwanted surface roughness. Thermal treatment and excimer laser cleaning are being investigated as alternative methods.

Keywords: electron source; photocathode; Mg; SRF gun; superconducting RF; laser cleaning

  • Poster
    9th International Particle Accelerator Conference IPAC´18, 29.04.-04.05.2018, Vancouver, Canada
  • Open Access Logo Contribution to proceedings
    9th International Particle Accelerator Conference IPAC´18, 29.04.-04.05.2018, Vancouver, Canada
    Proceedings of the 9th International Particle Accelerator Conference IPAC´18, Genf: JACoW, 4142-4144
    DOI: 10.18429/JACoW-IPAC2018-THPMF039

Permalink: https://www.hzdr.de/publications/Publ-27494
Publ.-Id: 27494


A Cu Photocathode for the Superconducting RF Photoinjector of BERLinPro

Kühn, J.; Bürger, M.; Frahm, A.; Jankowiak, A.; Kamps, T.; Klemz, G.; Kourkafas, G.; Neumann, A.; Ohm, N.; Schmeißer, M.; Schuster, M.; Völker, J.; Murcek, P.; Teichert, J.

The initial commissioning of the Superconducting RF (SRF) photoinjector is achieved with a Cu photocathode due to its robustness with respect to interactions with the SRF cavity of the injector. Here we present the preparation and characterization of a Cu photocathode plug and the diagnostics to insert the photocathode in the back wall of the SRF cavity. A polycrystalline bulk Cu plug was polished, particle free cleaned and characterized by x-ray photoelectron spectroscopy. During the transfer of the photocathode insert into the gun module the whole process was controlled by several diagnostic tools monitoring the insert position as well as RF, vacuum and cryogenic signals. We discuss the challenges of the photocathode transfer into an SRF cavity and how they can be tackled.

Keywords: electron source; photocathode; Cu; SRF gun; superconducting RF

  • Poster
    9th International Particle Accelerator Conference IPAC´18, 29.04.-04.05.2018, Vancouver, Canada
  • Open Access Logo Contribution to proceedings
    9th International Particle Accelerator Conference IPAC´18, 29.04.-04.05.2018, Vancouver, Canada
    Proceedings of the 9th International Particle Accelerator Conference IPAC´18, Genf: JACoW, 1247-1250
    DOI: 10.18429/JACoW-IPAC2018-TUPMF002

Permalink: https://www.hzdr.de/publications/Publ-27493
Publ.-Id: 27493


Reply to “Comment on Methodological accuracy of image-based electron density assessment using dual-energy computed tomography” [Med. Phys. 44, 2429-2437 (2017)]

Möhler, C.; Wohlfahrt, P.; Richter, C.; Greilich, S.

To the editor,
In his recent letter, Dr. Bouchard expressed his concern that our article on electron density (ED) assessment with dual-energy computed tomography (DECT) contained “some errors and speculative arguments”. We are aware that any study — no matter how carefully conducted — can exhibit erroneous aspects. In this case, however, we concluded that most of the statements and additional data provided by Dr. Bouchard in fact support the key findings of our paper, while other points raised can be attributed to a different use of concepts and to occasional overinterpretation. We therefore firmly reject his assertion. In this reply we provide our response to the criticism
raised:

Keywords: dual-energy CT; electron density; proton therapy

Permalink: https://www.hzdr.de/publications/Publ-27492
Publ.-Id: 27492


EOS at cw beam operation at Elbe

Schneider, C.; Gensch, M.; Kuntzsch, M.; Michel, P.; Seidel, W.; Kaya, K.; Al Shemmary, A.; Stojanovic, N.; Evtushenko, P.

The ELBE accelerator is a super conduction electron cw machine located at the Helmholtz Center Dresden Rossendorf Germany with 1 mA current, now tested for up to 2 mA. Besides other important diagnostics for setting up the machine for user beam time and further improvement of the machine – a THz source is momentary under commissioning – a EOS measuring station for bunch length measurements is locate right behind the second super conducting Linac. Measuring with a crystal in the vicinity of an up to 2 mA cw beam implies higher beam loss and also higher radiation exposure of the crystal and hence also a safety risk for the UHV conditions of the super conducting cavities in the case of crystal damage. Therefore the EOS measuring principle is adapted to larger measuring distances and also for beam requirements with lower bunch charge at ELBE. A description of the setup, considerations of special boundary conditions and as well results for 13 MHz cw beam operation are presented.

  • Open Access Logo Contribution to proceedings
    IPAC2014 - 5th International Particle Accelerator Conference, 15.-20.06.2014, Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-27491
Publ.-Id: 27491


Microresonator-ferromagnetic resonance investigation of thermal spin-transfer torque in Co2FeAl/MgO/CoFeB magnetic tunnel junctions

Cansever, H.; Narkowicz, R.; Lenz, K.; Fowley, C.; Ramasubramanian, L.; Yildirim, O.; Niesen, A.; Huebner, T.; Reiss, G.; Lindner, J.; Fassbender, J.; Deac, A. M.

Similar to electrical currents flowing through magnetic multilayers [1,2], thermal gradients applied across the barrier of a magnetic tunnel junction may induce pure spin currents and generate ‘thermal’ spin-transfer torques large enough to induce magnetization dynamics on the free layer [3, 4]. The relation of spin current, charge current and heat current was theoretically described by Bauer et al. using Onsager’s reciprocity rule [5]. According to Onsager’s law, spin currents can be produced by bias voltages or thermal gradients and investigated in terms of spin-Seebeck effect in magnetic multilayers.
First, Hatami et al. theoretically studied the spin-Seebeck effect in spin-valves and introduced the concept of thermal spin-transfer torques. They predicted that the thermally induced spin current creates an imbalance on the interface between non-magnetic and ferromagnetic layers due to collisions (electron-electron and electron-phonon interactions) [3]. Thermal spin-transfer torques were studied experimentally within asymmetric Co/Cu/Co nanowire spin-valves which exhibit switching field changes under varying a.c. currents causing Joule heating [6]. In magnetic tunnel junctions, it was theoretically predicted that temperature differences of around 10 K over an ultrathin barrier (1 nm) can create magnetization dynamics in Fe/MgO/Fe magnetic tunnel junctions [4]. The spin-Seebeck effect has been studied on CoFeB/MgO/CoFeB magnetic tunnel junctions using different heating methods such as Joule heating, heating with Peltier elements, as well as laser heating [8-14]. Recently, it was shown that using Co2FeAl as a reference layer improves tunneling magneto-Seebeck (TMS) in magnetic tunnel junctions [7].
Here, we describe a novel experimental approach and setup to observe effects of thermal gradients within magnetic tunnel junctions with Heusler compounds by using the microresonator ferromagnetic resonance (µR-FMR) method under laser heating. Initially, microresonators (shown in figure 1) were introduced by Narkowicz et al. for electron paramagnetic resonance (EPR) experiments to achieve optimal sensitivity for small objects [8]. Detecting the FMR signal of nano- to micron-sized samples in conventional cavities (cm3) is not possible, due to the too small ferromagnetic volume, and therefore low filling factor. A planar microresonator, by definition, is a two-dimensional structure, its diameter can be tailored to match the order of the sample’s size (shown as a black ellipse in the microresonator loop in figure 1). Two stubs are attached to the inductive loop. The capacitive radial stub in first approximation may be viewed as an element to tune the loop to the operation frequency, while the rectangular stub matches the structure to the 50 Ω impedance of the microstrip feedline.

Figure 1: Layout of a planar microresonator with simulated electric field distribution at the resonance frequency. The inset shows the current and magnetic field distribution (out-of-plane direction) in the loop containing a sample (black ellipse).
We investigated magnetic tunnel junctions (MTJs) fabricated out of Co2FeAl/MgO/CoFeB stacks. The sample and microresonator fabrication consist of multiple steps of lithography, ion etching and lift-off processes. The sample is finally patterned into a 6x9 µm2 elliptical shape using electron beam lithography (EBL) and ion beam etching is used to etch down the sample to the substrate. Microresonators are then fabricated around the sample using UV lithography. For laser heating, a continuous-wave (CW) laser at 532 nm wavelength and with tunable power up to 33 mW is focused on the sample.
“Hot-FMR” measurements were performed on unpatterned multilayers between 300 K and 450 K (figure 2) to understand the effect of global heating. It is clearly seen that the FMR signal of Co2FeAl exhibits a shift with increasing temperature. As seen in the inset graph, it is difficult to quantify the changes for the CoFeB signal, due to its small intensity. Subsequent, measurements in the presence of a thermal gradient were performed on 6x9 µm2 MTJs, integrated into microresonator loops with an inner diameter of 20 µm. The MTJs were submitted to laser irradiation, up to a maximum power of 33 mW. Unlike the Hot-FMR measurements, the resonance field and linewidth did not show clear changes with increasing laser power. The results suggest that the laser power is neither sufficient to induce magnetization dynamics via thermal gradients across the barrier, nor lead to significant changes of the magnetic parameters due to global heating of the sample.
Figure 2: FMR spectra of the extended films of Co2FeAl / MgO / CoFeB measured in the in-plane direction at different temperatures
As a conclusion, the effect of a global temperature change on the resonance frequency and linewidth of Co2FeAl was analyzed. With regards to the µR-FMR results, higher laser power is needed to induce magnetization dynamics. Moreover, the lateral heat transport might reduce the vertical thermal gradients, thus similar measurements on smaller structures are required.
This study was funded by the German Research Foundation (DFG) via priority program SpinCaT (SPP 1538). We thank H. Schultheiss for helping with the optical part of the experimental setup and S. Zhou for giving the access to the VSM setup.
[1] J.C. Slonczewski, J. Magn. Magn. Mater. 159, L1, (1996).
[2] L. Berger, Phys. Rev. B 54, 9353, (1996).
[3] M. Hatami, G.E.W. Bauer, Q. Zhang and P.J. Kelly, Phys. Rev. Lett. 99, 066603 (2007).
[4] X. Jia, K. Xia and G.E.W. Bauer, Phys. Rev. Lett. 107, 176603 (2011).
[5] G.E.W. Bauer, E. Saitoh and B.J. van Wees, Nature Mater. 11, 391, (2012).
[6] H. Yu, S. Granville, D.P. Yu and J.-Ph. Ansermet, Phys. Rev. Lett. 104, 146601 (2010).
[7] A. Boehnke, U. Martens, C. Sterwerf, A. Niesen, T. Huebner, M. von der Ehe, M. Meinert, T. Kuschel, A. Thomas, C. Heiliger, M. Münzenberg M, Nature Communications 8,(1),1626, (2017).
[8] R. Narkowicz, D. Suter and R. Stonies, J. Magn. Reson.175, 275 (2005).

Keywords: thermal spin transfer torque; ferromagnetic resonance; microresonator; magnetic tunnel junctions

  • Lecture (Conference)
    INTERMAG 2018 Singapore, 23.-27.04.2018, Singapore, Singapore

Permalink: https://www.hzdr.de/publications/Publ-27490
Publ.-Id: 27490


Radiation Tests Of Aerospace Components At Elbe

Schneider, C.; Bemmerer, D.; Michel, P.; Stach, D.

The cw electron accelerator ELBE operates mainly in the beam energy range 6 to 32 MeV and beam current range 1μA to 1mA. For most experiments a thermionic gun is used as electron source. The cw electron pulse structure so as the pulse charge is realized by applying electrical pulses with specific amplitudes and frequencies on the grid of the gun. The standard cw operation frequency is 13 MHz but can be divided sequentially by the factor 2 down to 101 kHz. For very special pulse structures a so called single pulser module exist performing different patterns also with dark current suppression via a macro pulser gate. For evaluating the performance and hardness under irradiation of e.g. aerospace components much lower doses resp. currents lower than the μA range are required. Furthermore reproducible and stable doses in a specific area for consecutively radiation of samples are necessary. In the presentation the investigations and concepts used at ELBE for the irradiation of different aerospace components are described.

  • Open Access Logo Contribution to proceedings
    IPAC2017 - 8th International Particle Accelerator Conference, 14.-19.05.2017, Copenhagen, Denmark

Permalink: https://www.hzdr.de/publications/Publ-27489
Publ.-Id: 27489


Unmixing-based feature extraction for mineral mapping

Contreras, C.; Khodadadzadeh, M.; Tusa, L.; Gloaguen, R.

Hyperspectral imaging is a well-accepted technology for mineral mapping. However, the advantage of using hyperspectral data for this purpose depends on the applied techniques. Spectral unmixing and classification algorithms have been widely applied in the literature to map and determine different minerals composition.
Generally, these two algorithms are used independently, however, in the scientific community dedicated to the field of land cover classification, new techniques have been developed in which, both classification and spectral unmixing are used complementarily. For example, spectral unmixing techniques have been used for feature extraction prior to a supervised classification. This strategy has been explored to address the problem of mixed pixels, which are dominant in hyperspectral images. Previous studies concluded that using unmixing-based features do not particularly improve classification accuracies in comparison to applying the extracted features by a classic algorithm such as the Minimum Noise Fraction (MNF). However, the advantage over this is that features extracted from spectral unmixing techniques have physical meaning since they can be interpreted as the abundances of the materials present in the scene, and they do not relegate variations of features with less significant signal-to-noise ratio, therefore, small classes are better characterized. Nevertheless, in geological remote sensing applications, the use of spectral unmixing as a feature extraction technique prior to a supervised classification has not been previously applied.
In this context, this work proposes the use of an automatic endmember extraction algorithm (e.g., Vertex Component Analysis – VCA) to further obtain the mineral abundances at a sub-pixel scale with a linear unmixing process. These features are subsequently used as inputs to a standard supervised classification technique (e.g., Support Vector Machine – SVM). The experiments are carried out on a hyperspectral VNIR/SWIR dataset of core samples. With this technique, we introduce a novel supervised approach, which, based on preliminary attempts, is expected to deliver both qualitative and quantitative improvements in the final classification accuracies.

  • Poster
    European Geosciences Union General Assembly 2018 (EGU), 08.-13.04.2018, Vienna, Austria

Permalink: https://www.hzdr.de/publications/Publ-27488
Publ.-Id: 27488


Design Of A Stripline Kicker For The Elbe Accelerator

Schneider, C.; Arnold, A.; Hauser, J.; Michel, P.; Staats, G.

ELBE is a linac based cw electron accelerator serving different secondary beams one at a time. Depending on the user demand the bunch repetition rate may vary from single pulse up to 13 MHz. For the future different end stations should be served simultaneously, hence specific bunch patterns have to be kicked into different beam-lines. To use e.g. one bunch out of the bunch train very short kicking durations have to be realized. The variabil-ity of the bunch pattern and the frequency resp. switching time are one of the main arguments for a stripline-kicker combined with high voltage (HV)-switches as basic con-cept. A nearly homogenous field in the kicker has to be realized for uniform deflection of the electron bunch and keep the emittance growth of the bunch as low as possi-ble. Furthermore the fast switching ability of the kicker demands for a fast decay of the HV-pulse resp. its reflec-tions in the structure implying a specific design of the kicker elements. For this reason a design with two tapered active electrodes and two ground fenders was optimized in time and frequency domain with the software package CST. Additionally a first prototype was manufactured for laboratory and first beam-line tests.

  • Open Access Logo Contribution to proceedings
    IPAC2017 - 8th International Particle Accelerator Conference, 14.-19.05.2017, Copenhagen, Denmark

Permalink: https://www.hzdr.de/publications/Publ-27487
Publ.-Id: 27487


Effect of DTPA on adsorption of Eu(III) onto quartz sand as a function of pH

Karimzadeh, L.; Lippold, H.

Organic ligands are known to affect radionuclide adsorption onto mineral surfaces. Quantitative description of these ternary systems requires appropriate modelling of the constituent interaction processes, which are not yet fully understood. In this study, the effect of the decontamination agent DTPA on adsorption of Eu(III) (as an analogue of trivalent actinides) onto quartz sand was investigated in radiotracer studies with 152Eu, at a pH range from 3 to 9. The experimental results show that DTPA strongly reduces adsorption of Eu(III) and thus promotes its mobility by formation of aqueous Eu-DTPA complexes over the whole studied pH range. This behavior was successfully described by generalized two-layer surface complexation model based on the aqueous speciation of Eu(III) / DTPA as a function of pH.

Keywords: DTPA; Surface complexation modeling; Europium; Quartz sand

  • Poster
    10th International Symposium on Nano and Supramolecular chemistry, 09.-12.07.2018, Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-27486
Publ.-Id: 27486


Recent Developments of the Liquid Metal Taylor Couette Experiment PROMISE

Seilmayer, M.; Stefani, F.; Gundrum, T.

In the beginning of the 20th century Taylor-Couette (TC) experiments were carried out with transparent liquids like water or air, which are electrical no-conducting. With the first experiments of Donnelly [1] in the sixties, a more general approach with liquid metal experiments started to investigate the interaction between magnetic fields and the TC flows of electrically conducting fluids. Two challenges of opaque liquid metal experiments are the measurement technique to investigate the flow structure inside the liquid and the precision and strength of the magnetic field.
We like to report recent results carried out with a quasi coaxial return path, which was introduced to the PROMIS experiment in the last years. Instead of the former frame coil an axial-symmetric return path closes the electrical circuit, which improves the field symmetry inside the experiment and minimizes the stray field outside the setup. Since this arrangement consists of an electrical parallel connection of the return conductors and the parallel connection of the hydraulic cooling circuit, it must be checked whether stability problems can occur in the current distribution in the return conductors. It turned out that the current return design can be controlled by simple and cheap proportional heater valves [2].

[1] R. J. Donnelly and M. Ozima, Phys. Rev. Lett., 4(10), 497--498, 1960
[2] M. Seilmayer and N. Krauter, IEEE Sensors Journal, 18(3), 1256--1264, 201

Keywords: DRESDYN; PROMISE; MRI; AMRI; Taylor Couette; Liquid Metal

  • Lecture (Conference)
    ICTW 20: 20th International Couette-Taylor Workshop, 11.-13.07.2018, Marseille, France

Permalink: https://www.hzdr.de/publications/Publ-27485
Publ.-Id: 27485


Successfully estimating tensile strength by small punch testing

Holmström, S.; Simonovski, I.; Baraldi, D.; Bruchhausen, M.; Altstadt, E.; Delville, R.

The Small Punch (SP) test is a relatively simple test well suited for material ranking and material property estimation in situations where standard testing is not possible or considered too material consuming. The material tensile properties, e.g. the ultimate tensile strength (UTS) and the proof strength are usually linearly correlated to the force-deflection behaviour of a SP test. However, if the test samples and test set-up dimensions are not according to standardized dimensions or the material ductility does not allow the SP sample to deform to the pre-defined displacements used in these correlations the standard formulations can naturally not be used. Also, in cases where no supporting UTS data is available the applied correlation factors cannot be verified. In this paper a formulation is proposed that enables estimation of UTS without supporting uniaxial tensile strength data for a range of materials, both for standard type and for curved (tube section) samples. The proposed equation was originally developed for estimating the equivalent stress in small punch creep but is now shown to also found to robustly estimate the UTS of several ductile ferritic, ferritic/martensitic and austenitic steels. It is also shown that the methodology can be further applied on non-standard test samples and test set-ups and to estimate the properties of less ductile materials such as 46% cold worked 1515Ti cladding steel tubes. In the case of curved samples the UTS estimates have to be corrected for curvature to equal the corresponding flat specimen behaviour. The geometrical correction factors are dependent on tube diameters and wall thicknesses and were solved by finite element simulations. The outcome of the testing and simulation work shows that the UTS can be robustly estimated both for flat samples as well as on thin walled tube samples. The usability of the SP testing and assessment method for estimating tensile strength of engineering steels in general and for nuclear claddings in specific has been verified.

Keywords: small punch test; tensile strength

  • Contribution to proceedings
    5th International Small Sample Test Techniques (SSTT) Conference 2018, 10.-12.07.2018, Swansea, United Kingdom
    Conference Proceedings of 5th International Small Sample Test Techniques Conference SSTT 2018, Swansea

Permalink: https://www.hzdr.de/publications/Publ-27484
Publ.-Id: 27484


European standard on small punch testing of metallic materials

Bruchhausen, M.; Altstadt, E.; Austin, T.; Dymacek, P.; Holmström, S.; Jeffs, S.; Lacalle, R.; Lancaster, R.; Matocha, K.; Petzova, J.

In the 1980s, studying the effect of neutron irradiation and temper embrittlement on structural materials for the fusion and fission programmes was a major challenge. In this context the development of small specimen test techniques began, allowing the characterization of structural materials for nuclear applications with small amounts of material. The small punch technique is of one these small specimen test approaches. It is widely used for the development and monitoring of structural materials, however there is currently no comprehensive international standard for small punch testing.
An EN standard on small punch testing is currently being developed under the auspices of ECISS/TC101/WG1. Besides describing the apparatus, procedures, and specimens, it will include recommendations for the estimation of tensile, fracture and creep properties from small punch testing as well as machine readable formats for representing and transferring test data.
This paper describes the current status of the standard and highlights some of the changes with regard to the current CWA 15672 (2007).

Keywords: small punch test; standard

  • Contribution to proceedings
    5th International Small Sample Test Techniques (SSTT) Conference 2018, 10.-12.07.2018, Swansea, United Kingdom
    Conference Proceedings of 5th International Small Sample Test Techniques Conference SSTT 2018, Swansea

Permalink: https://www.hzdr.de/publications/Publ-27483
Publ.-Id: 27483


Effect of anisotropic microstructure of ODS steels on small punch test results

Altstadt, E.; Houska, M.; Das, A.

Oxide dispersed strengthened (ODS) steels can exhibit a strongly anisotropic microstructure leading to anisotropic mechanical properties. The ductile to brittle transition temperature in the small punch (SP) test is therefore dependent on the specimen orientation. Three ODS steels with 13-14 mass percent Cr, manufactured through hot extrusion and hot rolling respectively, were investigated by means of SPT in different orientations. Existing microstructural data (EBSD) are used to discuss the anisotropic fracture behavior observed in the SPT. In addition, the SPT results are compared with those from existing fracture mechanics tests based on sub-sized C(T) samples. The applicability of the empirical conversion of SPT based transition temperatures into Charpy transition temperatures – well established for isotropic homogeneous metals – is investigated for materials with anisotropic microstructure.

Keywords: small punch test; ductile-to-brittle transition temperature; oxide dispersion strengthened steel

  • Contribution to proceedings
    5th International Small Sample Test Techniques (SSTT) Conference 2018, 10.-12.07.2018, Swansea, United Kingdom
    Conference Proceedings of 5th International Small Sample Test Techniques Conference SSTT 2018, Swansea

Permalink: https://www.hzdr.de/publications/Publ-27482
Publ.-Id: 27482


Two-scale CFD analysis of a spent fuel pool involving partially uncovered fuel storage racks

Oertel, R.; Hanisch, T.; Krepper, E.; Lucas, D.; Rüdiger, F.; Fröhlich, J.

The thermal-hydraulic conditions in a storage pool for spent nuclear fuel were studied for a loss of cooling accident leading to partially uncovered fuel racks. While under normal operating conditions, the fuel is cooled by means of single-phase natural convection in liquid water, the heat transfer rate into the gaseous pool atmosphere for the above scenario is comprised of comparably relevant portions of heat convection, thermal radiation and heat conduction. These mechanisms were analyzed with the aid of computational Fluid Dynamics using two complementary models that address different length scales. The models emulate the conditions at reactor unit 4 of the former Fukushima Daiichi nuclear power plant at the time of the accident, as it is a case example for a loss of cooling scenario and sufficient material for adequate modeling is available in the literature. A large-scale model served for the purpose of analyzing the developing flow patterns. It includes the fuel represented as porous medium as well as the pool and reactor building atmosphere. It was found that a characteristic flow field forms in the pool atmosphere that prevails for all studied water levels and decay heat rate distributions, while the temperature of the fuel can be reduced significantly by means of a checkerboard storage. However, the boundary conditions in the head region of a fuel assembly are clearly a function of its storage location in the pool. Representative conditions were extracted and applied to a second model that represents a single geometry-resolved fuel assembly with a portion of the atmosphere above it. With the corresponding simulations it was determined that, in terms of cooling efficiency, the conditions near the pool wall are favorable compared to a location close to the pool center. In conclusion, the study indicates that a beneficial storage solution combines checkerboarding with a tendency of storing fuel that exhibits a higher decay heat rate near the wall.

Keywords: Spent Fuel Pool Accidents; Flow Patterns; Fukushima; CFD Simulation; Partially Uncovered Fuel

  • Nuclear Engineering and Design 341(2019), 432-450
    Online First (2018) DOI: 10.1016/j.nucengdes.2018.10.014
  • Lecture (others)
    KompOst Doktorandenseminar 2018, 13.12.2018, Hochschule Zittau/Görlitz, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27481
Publ.-Id: 27481


The response of a halophilic microbial isolate from rock salt to repository relevant conditions

Bachran, M.; Hilpmann, S.; Kluge, S.; Cherkouk, A.

Next to crystalline rock and clay, rock salt formations are considered as potential host rock systems for the long-term storage of highly radioactive waste in a deep geological repository in Germany. To date, little is known about the habitat rock salt and the way of life of the microorganisms occurring there. Due to the high salinity and lack of nutrients, only adapted microorganisms such as extremely halophilic archaea can survive under these extreme conditions.[1] It is of interest to know what kind of extreme halophilic archaea are living there, how active they are under repository relevant conditions, and how these microorganisms can influence the safe storage of the waste. In this study an Halobacterium isolate was retrieved from a German rock salt sample. This Halobacterium sp. GP5 1-1 was investigated in detail with regard to its interaction with uranium, one of the major radionuclides in highly radioactive wastes. In comparison to Halobacterium noricense DSM 15987T the studied species showed only the involvement of carboxylate groups in the interaction with uranium by in situ attenuated total reflection fourier-transform infrared spectroscopy.[2] In addition, information about the activity and possible metabolism under repository relevant conditions of Halobacterium sp. GP5 1-1 were gain via proteomic analysis. Finally, microbial diversity studies based on the isolation of high-molecular weight genomic DNA from German rock salt samples and the subsequent high-throughput sequencing of the V4 region of the 16S rRNA gene were performed.

  • Poster
    12th Edition of the International Congress on Extremophiles, 16.-20.09.2018, Ischia, Italien

Permalink: https://www.hzdr.de/publications/Publ-27480
Publ.-Id: 27480


Increasing apparent affinity of EGFR-directed target modules results in enhanced anti-tumor and diagnostic properties of the UniCAR system

Albert, S.; Arndt, C.; Koristka, S.; Berndt, N.; Bergmann, R.; Feldmann, A.; Schmitz, M.; Pietzsch, J.; Steinbach, J.; Bachmann, M.

Immunotherapy with CAR-modified T cells has recently entered into the clinical routine. Nonetheless, until now most concerning side effects associated with CAR T cell therapies are cytokine release syndrome and “on-target, off-tumor” reactions. In order to improve CAR technology regarding safety, we developed a novel switchable platform termed UniCAR. It relies on the separation of the functional domains of conventional CARs. Thus, the UniCAR system is composed of (I) T cells modified to express an universal CAR (UniCAR) and (II) tumor-specific target modules (TM). UniCAR T cell activity can be easily controlled: While they are inert in the absence of TMs, their anti-tumor reactivity can be only switched on in the presence of TMs.
For redirection of UniCAR T cells to EGFR+ epithelial tumors, we recently established a monovalent nanobody-based α-EGFR TM, either expressed in bacterial or eukaryotic cells. In spite of the identical primary sequence the eukaryotic α-EGFR TM showed a reduced killing capability and affinity. This observation encouraged us, to elucidate whether TM functionality can be further improved by an increase in affinity. Consequently, we here constructed a novel bivalent α-EGFR-EGFR TM, expressed it in eukaryotic cells and compared its anti-tumor reactivity and pharmacokinetic properties with the monovalent α-EGFR TM. As expected, the avidity of the bivalent TM is higher than that of its monovalent counterpart. By raising the number of binding sites, the resulting bivalent α-EGFR-EGFR TM shows also an improved killing efficacy and capability in vitro and in vivo. While the monovalent α-EGFR TM could only mediate the killing of tumor cells expressing high levels of EGFR, the bivalent α-EGFR-EGFR TM could also redirect UniCAR T cells to tumor cells expressing lower levels of EGFR. According to in vivo PET experiments, the increased molecular weight of the bivalent α-EGFR-EGFR TM delays its elimination and thereby improves the enrichment at the tumor site. Consequently, the bivalent TM seems to be more suitable for PET imaging approaches and tumor eradication.

  • Poster
    Tumorimmunology meets Oncology TIMO XIV (Workshop), 24.05.2018, Halle, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27479
Publ.-Id: 27479


Strain and order-parameter coupling in Ni-Mn-Ga Heusler alloys from resonant ultrasound spectroscopy

Salazar Mejia, C.; Born, N.-O.; Schiemer, J. A.; Felser, C.; Carpenter, M. A.; Nicklas, M.

Resonant ultrasound spectroscopy and magnetic susceptibility experiments have been used to characterize strain coupling phenomena associated with structural and magnetic properties of the shape-memory Heusler alloy series Ni50+xMn25−xGa25 (x=0, 2.5, 5.0, and 7.5). All samples exhibit a martensitic transformation at temperature TM and ferromagnetic ordering at temperature TC, while the pure end member (x=0) also has a premartensitic transition at TPM, giving four different scenarios:
Tc > TPM > TM, TC > TM without premartensitic transition, TC ≈ TM, and TC < TM. Fundamental differences in elastic properties, i.e., stiffening versus softening, are explained in terms of coupling of shear strains with three discrete order parameters relating to magnetic ordering, a soft mode, and the electronic instability responsible for the large strains typical of martensitic transitions. Linear-quadratic or biquadratic coupling between these order parameters, either directly or indirectly via the common strains, is then used to explain the stabilities of the different structures. Acoustic losses are attributed to critical slowing down at the premartensite transition, to the mobility of interphases between coexisting phases at the martensitic transition, and to mobility of some aspect of the twin walls under applied stress down to the lowest temperatures at which measurements were made.

Permalink: https://www.hzdr.de/publications/Publ-27478
Publ.-Id: 27478


Investigating spin-transfer torques induced by thermal gradients in magnetic tunnel junctions by using micro-cavity ferromagnetic resonance

Cansever, H.; Narkowicz, R.; Lenz, K.; Fowley, C.; Ramasubramanian, L.; Yildirim, O.; Niesen, A.; Huebner, T.; Reiss, G.; Lindner, J.; Fassbender, J.; Deac, A. M.

Similar to electrical currents flowing through magnetic multilayers, thermal gradients applied across the barrier of a magnetic tunnel junction may induce pure spin-currents and generate ‘ thermal’ spin-transfer torques large enough to induce magnetization dynamics in the free layer. In this study, we describe a novel experimental approach to observe spin-transfer torques induced by thermal gradients in magnetic multilayers by studying their ferromagnetic resonance response in microwave cavities. Utilizing this approach allows for measuring the magnetization dynamics on micron/nano-sized samples in open-circuit conditions, i.e. without the need of electrical contacts. We performed first experiments on magnetic tunnel junctions patterned into 6×9μm2 ellipses from Co2FeAl/MgO/CoFeB stacks. We conducted microresonator ferromagnetic resonance (FMR) under focused laser illumination to induce thermal gradients in the layer stack and compared them to measurements in which the sample was globally heated from the backside of the substrate. Moreover, we carried out broadband FMR measurements under global heating conditions on the same extended films the microstructures were later on prepared from. The results clearly demonstrate the effect of thermal spin-torque on the FMR response and thus show that the microresonator approach is well suited to investigate thermal spin-transfer-driven processes for small temperatures gradients, far below the gradients required for magnetic switching.

Keywords: thermal spin transfer torque; microresonator; ferromagnetic resonance; magnetic tunnel junction

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Permalink: https://www.hzdr.de/publications/Publ-27477
Publ.-Id: 27477


Magnetocaloric materials for refrigeration near room temperature

Waske, A.; Gruner, M. E.; Gottschall, T.; Gutfleisch, O.

This article overviews the current status of magnetocaloric materials for room-temperature refrigeration. We discuss the underlying mechanism of the magnetocaloric effect and illustrate differences between fi rst- and second-order type materials starting with gadolinium as a reference system. Beyond the key functional properties of magnetocaloric materials, the adiabatic temperature, and entropy change, we briefl y address the criticality of the most promising materials in terms of their supply risk. Looking at practical applications, suitable geometries and processing routes for magnetocaloric heat exchangers for device implementation are introduced.

Permalink: https://www.hzdr.de/publications/Publ-27476
Publ.-Id: 27476


Spatially Nonuniform Superconductivity in Quasi-Two-Dimensional Organic Charge-Transfer Salts

Wosnitza, J.

In the following, a brief overview on the recently found robust experimental evidence for the existence of the Fulde–Ferrell–Larkin–Ovchinnikov (FFLO) state in layered organic superconductors is given. These electronically quasi-two-dimensional (2D) clean-limit superconductors are ideally suited for observing FFLO states. Applying a magnetic field parallel to the layers suppresses orbital effects and superconductivity is observed beyond the Pauli paramagnetic limit. Both, thermodynamic as well as microscopic experimental data show the existence of an additional high-field low-temperature superconducting state having a one-dimensionally modulated order parameter.

Permalink: https://www.hzdr.de/publications/Publ-27475
Publ.-Id: 27475


Fermi-surface topology of the heavy-fermion system Ce2PtIn8

Klotz, J.; Götze, K.; Green, E. L.; Demuer, A.; Shishido, H.; Ishida, T.; Harima, H.; Wosnitza, J.; Sheikin, I.

Ce2PtIn8 is a recently discovered heavy-fermion system structurally related to the well-studied superconductor CeCoIn. Here we report on low-temperature de Haas–van Alphen-effect measurements in high magnetic fields in Ce2PtIn8 and Pr2PtIn8. In addition, we performed band-structure calculations for localized and itinerant Ce-4f electrons in Ce2PtIn8. Comparison with the experimental data of Ce2PtIn8 and of the 4f -localized Pr2PtIn8 suggests the itinerant character of the Ce-4f electrons. This conclusion is further supported by the observation of effective masses in CePtIn8, which are strongly enhanced with up to 26 bare electron masses.

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Permalink: https://www.hzdr.de/publications/Publ-27474
Publ.-Id: 27474


Crystal-field effects in the kagome antiferromagnet Ho3Ru4Al12

Gorbunov, D. I.; Nomura, T.; Ishii, I.; Henriques, M. S.; Andreev, A. V.; Doerr, M.; Stöter, T.; Suzuki, T.; Zherlitsyn, S.; Wosnitza, J.

In Ho3Ru4Al12, the Ho atoms form a distorted kagome lattice. We performed magnetization, magnetic-susceptibility, specific-heat, and ultrasound measurements on a single crystal. We find that the magnetic and magnetoelastic properties of Ho3Ru4Al12 result from an interplay between geometric frustration and crystalelectric-field (CEF) effects. The Ho atoms order antiferromagnetically at TN = 4.5 K with reduced magnetic moments. In applied field, the magnetization shows anomalies that can be explained by CEF level crossings. We propose a CEF level scheme for which the ground-state doublet and the first two excited singlets at about 2.7 K form a quasiquartet. Indirect interlevel transitions allow for a quadrupolar interaction. This interaction explains well changes in the elastic shear modulus C44 as a function of temperature and magnetic field.

Permalink: https://www.hzdr.de/publications/Publ-27473
Publ.-Id: 27473


Search for multipolar instability in URu2Si2 studied by ultrasonic measurements under pulsed magnetic field

Yanagisawa, T.; Mombetsu, S.; Hidaka, H.; Amitsuka, H.; Cong, P. T.; Yasin, S.; Zherlitsyn, S.; Wosnitza, J.; Huang, K.; Kanchanavatee, N.; Janoschek, M.; Maple, M. B.; Aoki, D.

The elastic properties of URu2Si2 in the high magnetic field region above 40 T, over a wide temperature range from 1.5 to 120 K, were systematically investigated by means of high-frequency ultrasonic measurements. The investigation was performed at high magnetic fields to better investigate the innate bare 5f -electron properties, since the unidentified electronic thermodynamic phase of unknown origin, the so-called “hidden order” (HO), and associated hybridization of conduction and f electrons (c-f hybridization) are suppressed at high magnetic fields. From the three different transverse modes we find contrasting results; both the Γ4(B2g) and Γ5(Eg) symmetry modes C66 and C44 show elastic softening that is enhanced above 30 T, while the characteristic softening of the Γ3/B1g) symmetry mode (C11 - C12)/2 is suppressed in high magnetic fields. These results underscore the presence of a hybridization-driven Γ3(B1g) lattice instability in URu2Si2. However, the results from this work cannot be explained by using existing crystalline electric field schemes applied to the quadrupolar susceptibility in a local 5f2 configuration. Instead, we present an analysis based on a band Jahn-Teller effect.

Permalink: https://www.hzdr.de/publications/Publ-27472
Publ.-Id: 27472


Feldspar flotation as a quartz-purification method in cosmogenic nuclide dating: A case study of fluvial sediments from the Pamir

Sulaymonova, V. A.; Fuchs, M. C.; Gloaguen, R.; Möckel, R.; Merchel, S.; Rudolph, M.; Krbetschek, M. R.

Cosmogenic nuclide (CN) dating relies on specific target minerals such as quartz as markers to identify various geological events including the timing of landscape evolution. The presence of feldspar in the analysed sediment samples poses a challenge to the separation of quartz and affects the chemical procedures for extracting the radioactive CNs ¹⁰Be and ²⁶Al. Additionally, feldspar contaminations also reduce the ²⁶Al/²⁷Al ratio, thus, hindering the accurate determination of ²⁶Al by accelerator mass spectrometry (AMS). Using our samples from Central Asia, the standard physical separation and chemical cleaning-up procedure for quartz-enrichment was not sufficient to quantitatively remove the feldspar. A modified froth flotation mineral-separation technique is presented that overcomes previous global challenges and enables sufficient quartz-enrichment before CN chemistry. We exemplify the need for feldspar flotation as part of the sample preparation procedure using fluvial sediment samples, which contain 16-50 weight percent (wt.%) of feldspar and which still show 9-47 wt.% of feldspar after chemical cleaning without flotation.

Keywords: mineral separation; quartz; feldspar; accelerator mass spectrometry; cosmogenic nuclide dating

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Permalink: https://www.hzdr.de/publications/Publ-27471
Publ.-Id: 27471


LISEL@DREAMS – The future of Accelerator Mass Spectrometry

Forstner, O.; von Borany, J.; Merchel, S.; Rugel, G.; Wendt, K.

LISEL (Low-energy Isobar SEparation by Lasers) is a future project at the DREAMS (DREsden Accelerator Mass Spectrometry) facility to widen the applications of AMS by extending the range of measurable (radio-)nuclides.

AMS has proven to be a versatile tool capable of detecting a large number of long-lived radionuclides at the ultra-trace level – i.e. isotope ratios down to 10-16. However, being a mass spectrometric method, it is limited by the presence of strong isobaric background. To overcome this limitation, we propose to remove the isobars already at the low-energy side by laser photodetachment. This method allows to selectively neutralize isobars by laser radiation, leaving the ions of interest intact. First studies were performed at the University of Vienna and gave promising results [1,2] for the easier to be measured low-mass AMS isotopes Al-26 and Cl-36.

Within the LISEL project this method will be for the first time applied to an AMS facility based on a 6 MV tandem accelerator. The first isotopes to be addressed with the new method will be Mn-53 and Fe-60. Both are currently only measurable at AMS facilities with more than 10 MV terminal voltage (currently available only at the ANU in Canberra or the LMU/TU Munich in Garching). Further on, we foresee to apply this method to other rare isotopes, making LISEL@DREAMS a versatile machine for “all” isotopes. This will subsequently widen the applications and also the user community.

[1] Forstner, O. et al., Nucl. Instr. Meth. B 361 (2015) 217-221.
[2] Martschini, M. et al., Int. J. Mass Spectrom. 415 (2017) 9-17.

Keywords: AMS; laser; photodetachment

  • Lecture (Conference)
    Deutsche Tagung für Forschung mit Synchrotronstrahlung, Neutronen und Ionenstrahlen an Großgeräten (SNI2018), 17.-19.09.2018, Garching, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27470
Publ.-Id: 27470


Neutron activation analysis (NAA) reveals “fingerprint” of materials: From microchips to meteorites

Li, X.; Lierse Von Gostomski, C.; Merchel, S.; Rugel, G.

With its very pure thermal neutron flux, the reactor FRM II at Garching offers very good opportunities for studies of chemical composition in samples. The advantages of the instrumental NAA (INAA) are simple sample preparation without chemical handlings, high sensitivity, multi-element capability at all concentration levels (main, minor & trace) and almost non-destructiveness. The so-called “fingerprint” method, especially analysing rare earth elements (REEs), can give us e.g. more details of the provenance of the samples.
INAA is applied in material science e.g. quality assurance of semi-conductor materials. Impurities in the sub-ppb-level (1:10⁹) can be detected after long-time irradiation with high neutron flux (> 1014 cm-2 s-1).
One of the interesting interdisciplinary projects is the bulk analysis of meteorites. Among them is the stony meteorite “Cloppenburg”, which was found in 2017 as the 49th German meteorite [1]. More than 45 elements could be determined by INAA [2]. The INAA data is mandatory for the interpretation of cosmogenic radionuclide data determined by accelerator mass spectrometry (AMS) [3] to reconstruct the history of the meteorite(s) such as irradiation and terrestrial age, and preatmospheric size.
Ref.:
[1] Meteoritical Bulletin, no. 106, in prep. (2018).
[2] X. Li et al., Proc. of Paneth-Kolloquium (2017).
[3] S. Merchel et al., this meeting.

Keywords: INAA; neutron activation analysis; AMS; REE

  • Lecture (Conference)
    Deutsche Tagung für Forschung mit Synchrotronstrahlung, Neutronen und Ionenstrahlen an Großgeräten (SNI2018), 17.-19.09.2018, Garching, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27469
Publ.-Id: 27469


Description of Ore Particles from X-Ray Microtomography (XMT) Images, Supported by Scanning Electron Microscope (SEM)-Based Image Analysis

Furat, O.; Leißner, T.; Ditscherlein, R.; Šedivý, O.; Weber, M.; Bachmann, K.; Gutzmer, J.; Peuker, U.; Schmidt, V.

In this paper, 3D image data of ore particle systems is investigated. By combining X-ray micro tomography (XMT) with scanning electron microscope (SEM) based image analysis additional information about the mineralogical composition from certain planar sections can be gained. For the analysis of tomographic images of particle systems the extraction of single particles is essential. This is performed with a marker-based watershed algorithm and a post-processing step utilizing a neural network to reduce oversegmentation. The results are validated by comparing the 3D particle-wise segmentation empirically with 2D SEM images which have been obtained with a different imaging process and segmentation algorithm. Finally, a stereological application is shown, in which planar SEM images are embedded into the tomographic 3D image. This allows the estimation of local X-ray attenuation coefficients, which are material-specific quantities, in the entire tomographic image.

Keywords: X-ray micro tomography (XMT); mineral liberation analyzer (MLA); segmentation; stereology; attenuation coefficient

Permalink: https://www.hzdr.de/publications/Publ-27468
Publ.-Id: 27468


Running out of patience for radionuclide decay: Accelerator mass spectrometry (AMS) counts faster

Rugel, G.; Merchel, S.; Llovera, R.; Scharf, A.; Dreams-Users

Accelerator mass spectrometry (AMS) is the most sensitive analytical method to measure long-lived radionuclides. Several AMS system has been recently established in Europe, however, most of them exclusively detecting carbon-14. At Dresden a 6 MV tandem accelerator is used for AMS since 2011: The DREAMS (DREsden AMS) facility [1-3] is part of the Ion Beam Center, a large-scale user facility, where users apply for measurements via a proposal system.
Radionuclides, which are routinely measured at DREAMS, are ¹⁰Be, ²⁶Al, ³⁶Cl, ⁴¹Ca, and ¹²⁹I. We recently also focussed on nuclides with shorter half-lives such as ⁷Be or ⁴⁴Ti. The detection limits are generally several orders of magnitude better than any other mass spectrometry or decay counting method. AMS needs smaller sample sizes and measurements are finished within a few minutes to hours; though after performing chemical separation of the radionuclide from the sample matrix (ice, snow, rain, ground water, marine sediments, soil, meteorites, deep-sea nodules, lava, rocks).
DREAMS users apply AMS to most diverse interdisciplinary projects. Prominent examples are the proof and dating of multiple supernovae during the last 10 Ma [4] and dating of a boulder from a rock fall triggered by a medieval Earthquake in in the Nepal Himalaya [5].
Ref.: [1] Akhmadaliev et al., NIMB 294 (2013) 5. [2] Rugel et al., NIMB 370 (2016) 94. [3] www.dresden-ams.de. [4] Wallner et al., Nature 532 (2016) 69. [5] Schwanghart et al., Science 351 (2016) 147.

Keywords: AMS; radionuclide

  • Lecture (Conference)
    Deutsche Tagung für Forschung mit Synchrotronstrahlung, Neutronen und Ionenstrahlen an Großgeräten (SNI2018), 17.-19.09.2018, Garching, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27467
Publ.-Id: 27467


Short-Lived DREAMS of Be-7

Rugel, G.; Merchel, S.; Scharf, A.; Querfeld, R.; Steinhauser, G.; Tiessen, C.

Routine AMS (Accelerator Mass Spectrometry) nuclide half-lives range from a few thousand to a few million years. In contrast to this, we measured short-lived ⁷Be (T1/2 = 53.2 d) at the DREsden AMS-facility (DREAMS) [1]. The possibly troublesome isobar ⁷Li in mass spectrometry is easily separated by passing an additional silicon nitride foil as it does not exist in charge state 4+. The ⁷Be-sample data has been normalized to a proton-activated normalization material (produced by ⁷Li(p,n)⁷Be) that was measured by 𝛾-counting and chemically processed by adding stable ⁹Be carrier to BeO (⁷Be/⁹Be ≈ 10¹²).

This way, at DREAMS ⁷Be could be quantified as low as of 90 mBq, which is a challenge for conventional 𝛾-counting in a timely manner. Additionally, the measurement of ⁷Be and ¹⁰Be (T1/2 = 1.387 Ma) within the same sample is advantageous for investigating the production, transport, and deposition of atmospherically produced ⁷¹⁰Be [2]. Combined with a very good blank ratio of 5 × 10¹⁶ ⁷Be/⁹Be (corresponding to 0.8 mBq), it allows rainwater samples as small as 10 ml to be prepared with simple and fast chemistry (< 7 h for a batch of ten samples) and measured with AMS (< 11 h for a batch of ten samples) [3,4].

DREAMS [1,5] is part of the HZDR Ion Beam Center, a large-scale user facility, where external users apply for free AMS measurements of ⁷Be and other radionuclides (¹⁰Be, ²⁶Al, ³⁶Cl, ⁴¹Ca, ¹²⁹I,…) via a proposal system.

Acknow.: Thanks to D. Bemmerer (HZDR) and G. György (ATOMKI, Hungary) for help with the production and 𝛾-counting of the ⁷Be normalization material. Parts of this research were carried out at the Ion Beam Centre (IBC) at the Helmholtz-Zentrum Dresden-Rossendorf e. V., a member of the Helmholtz Association. We would like to thank the DREAMS operator team for their assistance with AMS measurements. Funding by a DAAD RISE-Pro Grant (HZDR-PH-456) is highly appreciated.

Literature:
[1] Rugel, G., et al.: The first four years of the AMS-facility DREAMS: Status and developments for more accurate radionuclide data. Nucl. Instr. Meth. Phys. Res. B (2016) Issue 370, pp. 94-100. [2] Smith, A.M., et al.: A new capability for ANTARES: ⁷Be by AMS for ice samples. Nucl. Instr. Meth. Phys. Res. B (2013) Issue 294, pp. 59-66. [3] Querfeld, R., et al.: Low-cost production of a beryllium-7 tracer from rainwater and purification: preliminary results. J. Radioanal. Nucl. Chem. (2017) Issue 314, pp. 521-527. [4] Tiessen, C., et al.: Optimising accelerator mass spectrometry (AMS) for beryllium-7 measurements in smallest rain samples. J. Radioanal. Nucl. Chem. (in preparation). [5] www.hzdr.de/ibc.

Keywords: AMS; radionuclide

  • Lecture (Conference)
    8. RCA-Workshop, 12.-14.06.2018, Dresden-Rossendorf, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27466
Publ.-Id: 27466


Data for publication

Kluge, T.; Rödel, M.; Metzkes, J.; Pelka, A.; Garcia, A. L.; Prencipe, I.; Rehwald, M.; Nakatsutsumi, M.; McBride, E. E.; Schönherr, T.; Garten, M.; Hartley, N. J.; Zacharias, M.; Erbe, A.; Georgiev, Y. M.; Galtier, E.; Nam, I.; Lee, H. J.; Glenzer, S.; Bussmann, M.; Gutt, C.; Zeil, K.; Rödel, C.; Hübner, U.; Schramm, U.; Cowan, T. E.

Raw data, lineouts and fits for the publication

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2018-05-09
    DOI: 10.14278/rodare.23
    License: CC-BY-SA-4.0

Downloads:

Permalink: https://www.hzdr.de/publications/Publ-27465
Publ.-Id: 27465


Die Potentialsonde, Entwicklung am HZDR im ersten Jahrzehnt dieses Jahrtausends

Cramer, A.

Die Idee, die durch ein in einem Magnetfeld strömendes elektrisch leitfähiges Medium zwischen zwei eingetauchten Elektroden induzierte Spannung als Repräsentant der Strömungsgeschwindigkeit zu messen, ist Michael Faraday, der als Begründer des Elektromagnetismus angesehen werden kann, zuzusprechen. Der Abstand der Elektroden war riesig, dafür war das Magnetfeld, Faraday benutzte das Erdfeld, klein.

Als die Potentialsonde miniaturisiert wurde, hat sich an dem Verhältnis Spannung pro Geschwindigkeitseinheit nichts wesentlich geändert. Th. von Weissenfluh konnte in den 90er Jahren die Sensitivität merklich verbessern. Er sagte eine Nichtlinearität von Spannnung und Geschwindigkeit voraus wenn die lokale Reynoldszahl, gebildet mit dem Elektrodenabstand, gegen 1 oder darunter geht, konnte dies aber nicht messen.

Eine grobe Abschätzung der auflösbaren mittleren Geschwindigkeit liegt bei etwa einem mm/s. Sind Turbulenzmessungen gefragt, kommen zwei Erschwernisse hinzu. Die Fluktuationen sind oft noch einmal deutlich kleiner als die mittlere Geschwindigkeit, und damit die Sonde nicht als Tiefpassfilter arbeitet sind nur vergleichsweise kleine Elektrodenabstände erlaubt.

Dies ist als Grund dafür anzusehen, dass in der Literatur mit der Potentialsonde durchgeführte Turbulenzmessungen nur für relativ schnelle Strömungen vorliegen. Für viele Anwendungen aus der Metallurgie ist das ausreichend, nicht jedoch für Problemstellungen aus der Kristallzucht. Das war die Motivation dafür, sich mit der Auflösung, möglichst für schnelle transiente Messungen, zu beschäftigen.

Im Seminar wird ein System vorgestellt, mit dem die von von Weissenfluh erwartete Nichtlinearität mit guter Reproduzierbarkeit und Genauigkeit vermessen wurde. Die induzierten Spannungen lagen im Falle einer stationären Strömung bis deutlich unter 1 nV.

Das zweite Beispiel wird sich mit Turbulenzmessungen beschäftigen, speziell mit dem Kompromiss zwischen Geschwindigkeitsauflösung und Messfrequenz.

  • Invited lecture (Conferences)
    Seminar über Nukleare Energieerzeugung, 07.05.2018, Eggenstein-Leopoldshafen, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27464
Publ.-Id: 27464


Radiumdotierte Bariumsulfat-Nanopartikel für die radiotherapeutische Anwendung

Reissig, F.; Pietzsch, H.-J.; Steinbach, J.; Mamat, C.

Durch fortschreitende Alterung der Bevölkerung ist eine kontinuierliche Zunahme von Tumorerkrankungen zu verzeichnen. Die Optimierung bestehender sowie die Entwicklung neuer Therapiekonzepte ist daher unabdingbar. Ein aktuell intensiv diskutierter Ansatz ist die nuklearmedizinische Therapie mit Alphastrahler-markierten Radiopharmaka. Radionuklide wie 223/224Ra oder 225Ac sind in der Lage, Tumorgewebe aufgrund ihres vergleichsweise hohen, linearen Energietransfers infolge einer Kaskade von Alpha-Zerfällen effizient zu zerstören. Ein theragnostischer Ansatz könnte mit dem „Matched Pair“ 131Ba/223/224Ra verfolgt werden. Die Herausforderung der stabilen Fixierung von Barium- und Radiumionen könnte durch Kofällung radiomarkierter [131/133Ba/223/224Ra]Ba(Ra)SO4-Nanopartikel (NP) erfolgen.

  • Lecture (Conference)
    8. RCA Workshop, 12.-14.06.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27463
Publ.-Id: 27463


Sulfonated calix-baskets for complexation of Barium and Radium

Mamat, C.; Reissig, F.; Bauer, D.; Pietzsch, H.-J.; Steinbach, J.

Understanding the coordination chemistry of heavy group 2 metals, especially of barium as surrogate for radium, is mandatory not only for radiopharmaceutical applications of radium. This is from high importance since radium-223 is the only approved therapeutic alpha-emitter (by EMA and FDA). Unfortunately, the applications are limited. To date, radium-223 is only in use as RaCl2 for the treatment of bone cancer metastases. To overcome this limitation, which is also true for other group 2 metals, special cage-like compounds have to be developed as ligands like sulfonated calix[4]crowns to stably bind the Ba2+ and Ra2+ to avoid a release in vivo. This will be the basis for a future application of heavy group 2 metals and not only of radium to treat other cancer entities than bone metastases. Ra2+ can then be included in radiopharmaceuticals which contain a chelator and a biologically active molecule part to find the tumor cell.
For this purpose, a series of modified calix[4]crown-6 derivatives was synthesized to chelate barium, which serves as non-radioactive surrogate for radium-223/-224. These calixcrowns were functionalized sulfonate moieties including deprotonable groups and the corresponding barium complexes were synthesized. Stability constants of these complexes were measured using UV/Vis titration experiments to determine logK values. Further extraction studies were performed with [133Ba]Ba2+ and [224Ra]Ra2+ to further characterize the binding affinity of calixcrowns.

  • Lecture (Conference)
    RadChem - 18th Radiochemical Conference, 13.-18.05.2018, Mariánské Lázně, Czech Republic
  • Open Access Logo Contribution to proceedings
    RadChem - 18th Radiochemical Conference, 13.-18.05.2018, Mariánské Lázne, Czech Republic
    Czech Chemical Society Symposium Series, Praha: Czech Chemical Society (CCS), 228-229

Permalink: https://www.hzdr.de/publications/Publ-27462
Publ.-Id: 27462


Super-SIMS at HZDR - first steps

Rugel, G.; Renno, A. D.; Akhmadaliev, S.; Belokonov, G.; Böttger, R.; von Borany, J.; Gutzmer, J.; Kaever, P.; Meyer, M.; Noga, P.; Tiessen, C. J.; Voigtländer, J.; Wagner, N.; Wiedenbeck, M.; Winter, A.; Wu, H.; Ziegenrücker, R.

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. A dedicated ion optical unit has been constructed and installed to match the SIMS ion beam to the maximum acceptance of the accelerator.
We will present measurements of the performance parameters of the instrument as well as first results of halogen (F, Cl, Br, and I) determinations in galena, sphalerite and pyrrhotite.
[1] 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] Maden, PhD thesis, ETH Zurich 2003. [6] Fahey et al. Analytical Chemistry 88(14), 2016, 7145. [7] Akhmadaliev et al., NIMB 294 (2013) 5. [8] Rugel et al. NIMB 370 (2016) 94.

Keywords: Super-SIMS; SIMS

  • Poster
    Deutsche Tagung für Forschung mit Synchrotronstrahlung, Neutronen und Ionenstrahlen an Großgeräten (SNI2018), 17.-19.09.2018, München, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-27461
Publ.-Id: 27461


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