Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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35836 Publications

Compact X-ray sources by Traveling-Wave Thomson scattering and All-Optical FELs

Debus, A.; Steiniger, K.; Pausch, R.; Huebl, A.; Widera, R.; Siebold, M.; Loeser, M.; Albach, D.; Roeser, F.; Cowan, T.; Schramm, U.; Bussmann, M.

Compact synchrotron and SASE-FEL sources in the hard X-ray range require both compact electron accelerators and undulators. Traveling-Wave Thomson-Scattering (TWTS) provides an all-optical undulator with hundreds to thousands of undulator periods from high-power, pulse-front tilted lasers pulses. These allow to realize optical free-electron lasers (OFELs) with state-of-the-art technology in electron accelerators and laser systems.

We provide an overview on the applications that become possible with TWTS -- bright Thomson sources with high photon-yields, all-optical FELs and a novel class of laser-plasma accelerators not limited by dephasing and pump depletion. We outline both experimental and computational challenges and present recent results.

Keywords: Laser-produced plasmas; Plasma-based accelerators; Laser-wakefield acceleration; Traveling-wave electron acceleration; TWEAC

  • Lecture (Conference)
    16th International Conference on X-Ray Lasers (ICXRL), 07.-12.10.2018, Prag, Tschechische Republik

Permalink: https://www.hzdr.de/publications/Publ-28518
Publ.-Id: 28518


Off-harmonic optical probing of high intensity laser-matter interaction with a stand-alone probe laser system

Bernert, C.; Kraft, S.; Loeser, M.; Metzkes-Ng, J.; Obst, L.; Rehwald, M.; Schlenvoigt, H.-P.; Siebold, M.; Zeil, K.; Ziegler, T.; Schramm, U.

The development of high-intensity short-pulse lasers in the petawatt regime offers the possibility to design new compact accelerator schemes by utilizing high-density targets to generate proton beams with multiple 10 MeV energy per nucleon. The optimization of the acceleration process calls for a comprehensive exploration of the plasma dynamics involved, for example via spatially and temporally resolved optical probing. Experimental results can then be compared to numerical particle-in-cell simulations, which is particularly well suited in the case of cryogenic hydrogen jet targets [1]. However, strong plasma self-emission and conversion of the plasma’s drive laser wavelength into its harmonics often masks the interaction region and interferes with the data analysis. Recently, the development of a stand-alone and synchronizable probe laser system for off-harmonic probing at the DRACO laser at the Helmholtz-Zentrum Dresden – Rossendorf showed promising performance [2]. Here, we present an updated stand-alone probe laser system applying a compact CPA system based on a synchronized fs mode-locked oscillator (Light Conversion) operating at 1030 nm, far off the plasma’s drive laser wavelength of 800 nm. A chirped volume Bragg grating (Optigrate Corp) is used as a hybrid stretcher and compressor unit. The subsequent diode pumped regenerative Yb:CaF2 laser amplifier includes a spectral shaping element and chirped mirrors for GDD compensation. The system delivers 160 fs pulses with a maximum energy of 0.9 mJ and thus extends the recent developments [3] into the sub 200 fs region. Additionally, we present recent experimental results deploying the upgraded probe laser system and its harmonics in an experiment dedicated to laser-proton acceleration from a renewable cryogenic hydrogen jet at the DRACO laser.

  • Lecture (Conference)
    ICUIL 2018, 09.-14.09.2018, Lindau, Deutschand

Permalink: https://www.hzdr.de/publications/Publ-28517
Publ.-Id: 28517


Probing of laser-plasma experiments at DRACO with a stand-alone probe laser system

Bernert, C.; Brack, F.-E.; Kraft, S.; Kroll, F.; Löser, M.; Metzkes-Ng, J.; Obst, L.; Rehwald, M.; Schlenvoigt, H.-P.; Siebold, M.; Zeil, K.; Ziegler, T.; Schramm, U.

In the last decade the investigation of laser-driven plasmas has gained great importance for the development of compact ion accelerator schemes with the efficient generation of multiple 10 MeV proton beams from TNSA experiments with PW laser systems like the Dresden laser acceleration source (DRACO) at the Helmholtz-Zentrum Dresden - Rossendorf. The exploration of the plasma dynamics and its microscopic parameters is crucial for the optimization of the acceleration process. Optical probing is one technique to investigate the temporal plasma evolution and complements numerical particle-in-cell simulations of the underlying physics. However, strong plasma self-emission at the driver lasers wavelength and its harmonics often masks the laser plasma interaction region and thus complicates the data analysis.
Here, we present the implementation of a stand-alone probe laser system, which is temporally synchronized to the DRACO laser. The probe laser system consisting of a seed laser and one regenerative amplifier is based on Yb:YAG and thus provides a fundamental wavelength of 1030 nm, which is different from the wavelength of the DRACO driver laser (800 nm) and its harmonics. We present the advantages of this probing approach, which was tested during an experimental campaign with wire targets of different materials and diameters in the µm range, and give an inside on the current challenges and developments of the probing system.

  • Lecture (Conference)
    DPG Frühjahrstagung Würzburg, 19.-23.03.2018, Würzburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28516
Publ.-Id: 28516


Froth properties and ist effect on lab-scale flotation of carbonaceous sedimentary apatite ore

Hoang, D. H.; Kupka, N.; Peuker, U. A.; Rudolph, M.

The froth ability, froth stability and the froth structure are strong influences in flotation process i.e. on
water recovery, bubble size, entrainment of gangue particle, flotation rate constants, grade and recovery. The labscale
flotation of rich apatite ore with a high mass pull leads to significant changes in pulp and froth properties over
time. The froth stability decreases with increasing the flotation time. These changes can be related to different solid contents, reagent concentration, froth heights and bubble size distributions. This study presents the results from froth studies and discussions on the particle size of fully liberated silicates and degree of entrainment based on automated mineralogy size-by-size analysis. The change of entrainment in a rich apatite ore batch flotation with time will describe more precisely by measuring froth properties using a Dynamic Foam Analyzer. It is concluded that the degree of entrainment is not only dependent on particle size but also the pulp density due to its effect on particle settling and also froth properties in varying resistance to particle drainage. Furthermore, entrainment models are applied to predict the effect of size, flotation time on entrainment.

Keywords: Froth properties; apatite flotation; Entrainment; automated mineralogy

  • Contribution to proceedings
    29th International Mineral Processing Congress, IMPC 2018, 17.-21.09.2018, Moscow, Russia
    Conference Proceeding: Canadian Institute of Mining, Metallurgy and Petro, 978-703022711-9, 1748-1757

Permalink: https://www.hzdr.de/publications/Publ-28515
Publ.-Id: 28515


Froth properties and entrainment in lab-scale flotation: A case of carbonaceous sedimentary phosphate ore

Hoang, D. H.; Heitkam, S.; Kupka, N.; Hassanzadeh, A.; Peuker, U. A.; Rudolph, M.

In flotation, the froth characteristics strongly influence the separation process as they are linked to water recovery, bubble size, entrainment of gangue particles, flotation rate constants and finally grade and recovery. In the case of a high-grade apatite ore with a high mass pull in lab-scale flotation, significant changes in pulp and froth properties occur, such that the froth stability decreases with increasing flotation time. These changes can be related to different particle and reagent concentrations. We describe the change of entrainment in a rich apatite ore batch flotation with time more precisely by measuring froth properties using a Dynamic Froth Analyzer (DFA). It is concluded that the degree of entrainment is not only dependent on particle size but also the pulp density due to its effect on particle settling and also froth properties in varying resistance to drainage. Through a combination of time-resolved dynamic froth analysis and automated mineralogy, we identify the dynamic effects governing in the froth and compare the entrainment results with existing models. Furthermore, our analyses offer novel support for the extension of the common understanding of the entrainment phenomena.

Keywords: Froth flotation; froth stability; apatite; entrainment; automated mineralogy; dynamic froth analysis (DFA)

Downloads:

Permalink: https://www.hzdr.de/publications/Publ-28514
Publ.-Id: 28514


Importance of understanding structure-property relationships in Feldspar for Radiofluorescence dating

Sharma, S. K.; Fuchs, M.; Heitmann, J.; Gloaguen, R.

Feldspar is a common mineral that has been used efficiently for the past few decades for luminescence dating. The process of separation of Feldspar from rock mineral is a time consuming process, and requires an expertise with different chemical processes. The luminescence properties in Feldspar are controlled by the presence/absence of defect in the host lattice. In the present talk, i will discuss about the different defects, luminescence properties, and their dependence on the crystal structure of Feldspar. The work is carried out on three different samples, currently being used for radio-fluorescence dating.

Keywords: Feldspar; optical properties; luminescence dating; ESR

  • Invited lecture (Conferences)
    3rd IR-RF Workshop 2018, 26.-28.02.2018, Leipzig, Germany

Permalink: https://www.hzdr.de/publications/Publ-28513
Publ.-Id: 28513


Gewinnung und Anreicherung von Molybdän aus niedrig konzentrierten sulfatischen Lösungen mittels Solventextraktion

Helbig, T.; Scharf, C.

Der sogenannte Theisenschlamm, ein Haldenmaterial der einstigen Kupferschieferverhüttung in der Region Mansfeld, besitzt neben den Hauptkomponenten Zink und Blei, auch geringe Konzentrationen von z.B. Molybdän, Rhenium und Germanium. Im r⁴-Projekt „Theisenschlamm“ erfolgt im ersten Schritt die Laugung dieses Materials, wobei Lösungen mit ca. 20 mg/L Molybdän erhalten werden. Zur anschließenden elementselektiven Weiterverarbeitung der Laugungslösung wird u. a. die Solventextraktion untersucht. Für die selektive Gewinnung von Molybdän wurden Organophosphorsäure- sowie Oximverbindungen verglichen und Cyanex 272 als vielversprechendstes Extraktionsmittel ausgewählt. Weiterführende Untersuchungen werden in einer kontinuierlichen Mixer-Settler-Anlage (MEAB MSU-0,5) durchgeführt. Die Einflüsse verschiedener Parameter, wie z.B. die Rückführung der Organik und die Volumenströme der beiden Phasen, auf die selektive Molybdän-Extraktion und Anreicherung sowie die Möglichkeit des Scrubbings und Strippens der organischen Phase werden vorgestellt.

  • Poster
    Jahrestreffen der ProcessNet-Fachgruppe Extraktion & Rohstoffe, 12.-13.03.2018, Frankfurt am Main, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28512
Publ.-Id: 28512


Laser-driven radiobiology experiments at Draco Petawatt

Brack, F.-E.; Kroll, F.; Metzkes, J.; Obst, L.; Kraft, S.; Schlenvoigt, H.-P.; Gaus, L.; Beyreuther, E.; Karsch, L.; Pawelke, J.; Zeil, K.; Schramm, U.

Summary of the current status and carried out experiments of Laser-driven radiobiology experiments at Draco Petawatt

  • Lecture (Conference)
    LIGHT Meeting, 19.-20.04.2018, Darmstadt, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28511
Publ.-Id: 28511


Laser-Based Particle Accelerators at HZDR - Ions

Brack, F.-E.; Kroll, F.; Metzkes, J.; Obst, L.; Kraft, S.; Schlenvoigt, H.-P.; Gaus, L.; Ziegler, T.; Rehwald, M.; Zeil, K.; Schramm, U.

Summary of the current status and carried out experiments of Laser-driven ion experiments at Draco

  • Lecture (Conference)
    Matter and Technology Student Retreat, 11.06.2018, Berlin, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28510
Publ.-Id: 28510


Medical Applications of Laser-driven Particle Sources - An Overview of Activities in Dresden

Kroll, F.; Zeil, K.; Obst, L.; Rehwald, M.; Schlenvoigt, H.-P.; Brack, F.; Metzkes-Ng, J.; Bernert, C.; Gaus, L.; Ziegler, T.; Kluge, T.; Garten, M.; Hübl, A.; Kraft, S.; Schramm, U.; Beyreuther, E.; Karsch, L.; Pawelke, J.; Kunz-Schughart, L.

The talk summarizes activities of HZDR on the topic of laser-driven particle sources for medical applications. The focus lies on a the development and characterization of a pulsed high-field beamline that allows to transport and spacially as well as spectrally shape a laser-driven ion beam and thereby prepare it for irradiation studies, e.g. on radiobiological studies.

  • Lecture (Conference)
    WHELMI Meeting 2018, 28.08.2018, Rehovot, Israel

Permalink: https://www.hzdr.de/publications/Publ-28509
Publ.-Id: 28509


Pulsed High-Field Magnets for a laser-driven Ion Beam shaping and Laboratory Astrophysics

Brack, F.-E.; Kroll, F.; Metzkes-Ng, J.; Gaus, L.; Kraft, S.; Schlenvoigt, H.-P.; Karsch, L.; Pawelke, J.; Zherlitsyn, S.; Herrmansdörfer, T.; Zeil, K.; Schramm, U.

Pulsed high-field magnets have become a common, versatile research tool. We present a pulsed magnet technology platform that opens up new areas of application in the field of laser-driven plasma physics. Compact high-field magnets, generating ms-long magnetic field pulses with amplitudes ranging as high as 20 T, have been developed for operation under high vacuum and in close vicinity to the harsh laser-plasma environment. The combination of the presented magnet technology and portable pulsed power systems paves the way for novel experiments in laboratory astrophysics and enables unique studies on beam optics for laser-driven ion sources.
We implemented a tunable pulsed beamline at the Dresden laser acceleration source (Draco) for radiobiological irradiation studies. It consists of two pulsed solenoids for shaping laser-accelerated ion beams spatially and spectrally for application. We performed experiments with the PW beam of Draco to investigate the feasibility of worldwide first controlled volumetric in vivo tumour irradiations in a dedicated mouse model with laser-accelerated protons. The study shows the reliable generation of homogeneous dose distributions laterally and in depth. Practical issues, like magnet repetition rate and stability, mean dose rate and future radiobiological challenges will be discussed and an outlook on the already performed volumetric tumour irradiation experiments will be given.
Furthermore, a split-pair coil was developed that can be used for the investigation of magnetized plasma in the frame laboratory astrophysical phenomena. The magnet provides optical access to the magnetized laser-driven plasma via two bores perpendicular to the coil axis. These openings enable optical and X-ray probing as well as insertion of obstacles and/or laser targets from solids to gas jets.

  • Lecture (Conference)
    ECLIM 2018, 22.-26.10.2018, Kreta, Griechenland
  • Poster
    Matter & Technology Meeting, 12.-14.06.2018, Berlin, Deutschland
  • Poster
    45th Conference on Plasma Physics EPS, 02.-06.07.2018, Prag, Tschechische Republik

Permalink: https://www.hzdr.de/publications/Publ-28508
Publ.-Id: 28508


Theisenschlamm – Waste of the past, resource of the future: a hydrometallurgical approach

Helbig, T.

A summary of the hydrometallurgical processing approach for "Theisenschlamm" was presented. The proposed approach was developed together with partners of the "Theisenschlamm" project. Limits and Challenges for the recovery of very low concentrated target elements were highlighted with examples of the solvent extraction processes.

  • Lecture (Conference)
    69. Berg- und Hüttenmännischer Tag – Freiberger Universitätsforum 2018, 06.-08.06.2018, Freiberg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28507
Publ.-Id: 28507


Hydrometallurgical recovery of high-tech metals from a complex sulfidic flue dust with focus on the separation of rhenium and molybdenum by solvent extraction

Helbig, T.; Haseneder, R.; Werner, A.; Kelly, N.; Scharf, C.

“Theisenschlamm”, a flue dust of the former copper shale processing in Germany, comprises high amounts of zinc and lead as well as a variety of low concentrated high-tech metals, such as rhenium, molybdenum, cobalt and germanium. A hydrometallurgical process route was investigated to recover the valuable metals with focus on rhenium and molybdenum. However, very low concentrations of some target elements (1 – 15 mg/L) had to be considered. The process includes an innovative combination of membrane filtration and solvent extraction. With the first processing step 95% molybdenum were extracted from the pregnant leach solution in a continuous mixer settler set-up with the extractant Cyanex 272. High selectivity over rhenium was obtained, with a coextraction of only 0.3%. Continuous membrane nanofiltration technology achieved a selective separation and enrichment of 97.3% zinc, 98.5% iron(III), 97.0% copper, 98.3% aluminium and 99.1% cobalt over rhenium (7.2%) and germanium (7.7%). From the permeate solution 98.4% germanium were separated from rhenium (0.1%) by a continuous reverse osmosis membrane process. Extraction of 99.9% rhenium was obtained by continuous solvent extraction with Alamine 336. Considerations for the selective enrichment of very low concentrated target elements by solvent extraction are discussed in detail. Moreover, potential solvent extraction processes are suggested for further processing of the cobalt, germanium, zinc and copper containing membrane process streams.

  • Contribution to proceedings
    Hi-Tech Metals '18, 22.-23.11.2018, Cape Town, South Africa
  • Lecture (Conference)
    Hi-Tech Metals '18, 22.-23.11.2018, Cape Town, South Africa

Permalink: https://www.hzdr.de/publications/Publ-28506
Publ.-Id: 28506


Exploration of Rare Earth Elements and Absorption-Emission Features in Rare Earth (La-Lu) Orthophosphates

Sharma, S. K.; Koehler, T.; Fuchs, M.; Beyer, J.; Seidel, P.; Lorenz, S.; Meyer, D. C.; Gloaguen, R.; Heitmann, J.

Mining of rare earth elements (REEs) followed by application of mined REEs to wide range of application, has been of immense interest for both, geologists and phosphor engineers. In the present contribution, we will focus on a) exploring laser-induced fluorescence (LIF) for REE exploration in our project “inSPECtor”; and b) combining absorption-emission characteristics to understand f-f and f-d transitions in rare earth orthophosphates (La-Lu)PO4. Orthophosphate deposits in nature are important for technological and environmental challenges faced by high-tech industry. It has been shown recently that the phosphorites can be considered as the primary source of REEs to solve the global rare earth supply shortage [1]. The existing technologies in rare earth exploration are based on diffuse-reflectance measurements (for example, Hyperspectral Imaging). However, the spectral features of REEs are due to sharp 4f-4f intraconfigurational transitions, which are sufficiently distinct to enable spectral classification. LIF is an important technique which records REE features in spectral as well as the time domain. Recently, we started a project “inSPECtor” to develop a single sensor system, which combines hyperspectral imaging (or diffuse reflectance spectra) with laser induced fluorescence (for spectral and time resolution from ns to ms). From an application point of view, the Rare earth orthophosphates (REPO4) are important compounds for application in light emitting diodes (LEDs), plasma display panels (PDPs) and fluorescent lamps [2]. The lower atomic number lanthanides (La-Gd) based orthophosphates crystallise with monoclinic structure (P21/n space group) at moderately high temperatures; while the higher atomic number lanthanides based orthophosphates possess tetragonal xenotime-type structure (I41/amd space group). The luminescence properties in a lattice of orthophosphates are expected to be controlled by the type of REEs and their coordination around PO43- tetrahedra. However, PO43- (which forms host valence and conduction band), is transparent itself in visible-UV region and does not absorb, up to approximately 175 nm [3]. Hence, the type of rare earth ion, which increases in ionic radii by approximately 22% from La-Lu, control the electronic structure and optical properties therein. Some of the REPO4, for example-LaPO4, GdPO4, YPO4 and LuPO4; have been explored recently for their charge carrier trapping and relevant applications in storage devices [4]. However, information for other REPO4 is limited and no clear information, relevant to their absorption-emission features, charge storage/release could be found. We present results on our extensive investigation in both these directions; the new sensor and fundamental properties.

References:
[1] P. Emsbo, P.I.McLaughlin, G.N.Breit, E.A.du Bray, A.E.Koenig, Gondwana Res., 27 (2015) 776-785.
[2] J. George, C.Ryan, R.K.Brow, J. Am. Ceram. Soc. 97 (2014) 2249-2255.
[3] P.Melnikov, A.M.Massabni, O.Malta, Phosphorus, Sulfur and Silicon and Related Elements, 1996, pp. 1-1.
[4] T.Lyu, P.Dorenbos, J.Mater.Chem. C, 6 (2018) 369-379.

Keywords: Rare earth orthophosphates; laser induced fluorescence; exploration; diffuse reflectance

  • Lecture (Conference)
    The 5th International Conference on the Physics of Optical Materials and Devices (ICOM-2018), 27.-31.08.2018, Igalo, Montenegro, Montenegro

Downloads:

Permalink: https://www.hzdr.de/publications/Publ-28505
Publ.-Id: 28505


Modeling Hybrid Wakefield Accelerators with PIConGPU

Debus, A.; Pausch, R.; Huebl, A.; Bastrakov, S.; Widera, R.; Martinez De La Ossa, A.; Irman, A.; Couperus, J.; Schramm, U.; Bussmann, M.

Hybrid LWFA-PWFA obtain high-charge beams of several 100pC with comparably large energy spread and divergence from a first LWFA stage. These beams are then used as a driver in a subsequent PWFA stage, where electron beams with less charge, but higher beam brightness are accelerated. Recent experiments at the HZDR, based on a LWFA-PWFA setup that includes an additional metal foil in between the gas jets, have provided promising results. The presence of very different regimes in hybrid LWFA-PWFAs ranging from underdense plasma to overdense plasma of the foil, interspersed with extended vacuum propagation distances is challenging for 3D-PIC simulations with regard to HPC resources, performance, numerical stability and the ability to iteratively compare with experimental results. The poster presents current simulation efforts at HZDR together with DESY collaborators in modeling experimental results using the open-source, 3D-PIC code PIConGPU. This includes simulation results from parameter scans, as well as the numerical techniques used.

Keywords: Laser-wakefield acceleration; Plasma-wakefield acceleration; PIC; PIConGPU; hybrid LPWFA; hybrid LWFA-PWFA; HPC; LWFA. PWFA

  • Poster
    Directions in particle beam-driven plasma wakefield acceleration, 04.-5.6.2018, Chicheley Hall, Großbrittannien

Permalink: https://www.hzdr.de/publications/Publ-28504
Publ.-Id: 28504


Traveling-Wave Electron Acceleration, Optical FELs and Thomson Scattering -- Designing laser pulses with a (pulse-front) tilt

Debus, A.; Steiniger, K.; Siebold, S.; Bussmann, M.; Pausch, R.; Albach, D.; Loeser, M.; Roeser, F.; Huebl, A.; Widera, R.; Cowan, T.; Schramm, U.

Generating and controlling ultrashort, pulse-front tilted laser pulses is essential for Traveling-Wave Electron Acceleration (TWEAC), Traveling-Wave Thomson Scattering (TWTS) and Traveling-Wave Optical FELs (TWTS-OFELs). All these applications require controlling angular and group-delay dispersion, while keeping experimental setups as compact as possible. However, the varying requirements with respect to laser power, extent of focal region, incident angles and laser mode quality lead to differing strategies in designing experimental setups.

In this overview poster we provide answers to the question: What experimental efforts in terms of laser system and optics are necessary in current labs for first proof-of-principle realizations of the different applications of "Traveling-Wave" laser pulses -- ranging from low-bandwidth and yield-enhanced Thomson sources (TWTS), laser-based electron accelerators beyond the LWFA depletion and dephasing limits (TWEAC) and ultimately an optical free-electron laser (TWTS-OFEL)?

Keywords: Laser-produced plasmas; Plasma-based accelerators; Laser-wakefield acceleration; Traveling-wave electron acceleration; TWEAC; optical FEL; traveling-wave; Thomson scattering; pulse-front tilt; out-of-focus interaction

  • Poster
    4. Annual MT Meeting, 12.-14.6.2018, Berlin, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28503
Publ.-Id: 28503


Separation of rare earth elements from contaminants and valuable components by in situ precipitation during hydrometallurgical processing of eudialyte concentrate

Balinski, A.; Wiche, O.; Kelly, N.; Reuter, M. A.; Scharf, C.

Eudialyte - a sodium rich zirconosilicate - is often enriched in relevant amounts of Zr(Hf) as well as other valuable metals such as REE, Mn and Nb. Due to its ready solubility in mineral acids valuable components can be leached in high yields under mild conditions. The separation of individual elements from the resulting highly complex solutions can be very challenging, especially due to the release of silica. This study deals with REE separation by in situ precipitation during leaching of the thermal pre-treated H2SO4/eudialyte concentrate mixture. Contarary to the common procedure the precipitation was done before solid/liquid separation. Moreover, it was shown, that H2SO4 strongly affects the REE solubility and should be considered as a precipitating agent. The best REE precipitation yield of 90% was achieved by the following parameter combination: TP=95 °C, tP=120 min, ϱPD,P=150 kg/m3, βNa2SO4,0=116.4 g/L and βH2SO4,0=463.6 g/L. Not only LREE but also HREE+Y group could be removed from the liquid phase in high yields and separated from Zr(Hf), Mn, Nb, Fe and Al. After the precipitation step REE were transferred into the liquid phase by two different methods. Direct water treatment leads to decrease of the separation factors βSREE/(Zr,Hf,Mn,Nb) and βSREE/(Al,Fe,Th,Ca) with growing solid/liquid ratio due to remaining filtrate in the precipitate enriched in REE, and co-precipitation of Ca and Th. Conversion of precipitated REE into sparingly soluble hydroxides and subsequent HCl treatment improves the purity of the REE solution significantly. At a solid content of 200 kg/m3 the separation factors could be increased from 2.7 and 0.48 to 38.7 and 1.50, respectively. The great advantage of this method is the effective REE separation during leaching process by the use of basics chemicals only, and it is a good alternative for other separation methods such as solvent extraction.

Keywords: Eudialyte concentrate; sulfuric acid leaching; separation of rare earth elements; precipitation; double sulfates

Permalink: https://www.hzdr.de/publications/Publ-28502
Publ.-Id: 28502


Breaking the dephasing and depletion limits of laser-wakefield acceleration with Traveling-Wave Electron Acceleration

Debus, A.; Pausch, R.; Hübl, A.; Steiniger, K.; Widera, R.; Cowan, T.; Schramm, U.; Bussmann, M.

We show how to simultaneously solve several long standing limitations of laser-wakefield acceleration that have thus far prevented laser-plasma electron accelerators (LWFA) to extend into the energy realm beyond 10 GeV. Most prominently, our novel Traveling-Wave Electron Acceleration (TWEAC) approach eliminates both the dephasing and depletion constraints. The wakefield driver is a region of overlap of two obliquely incident, ultrashort laser pulses with tilted pulse-fronts in the line foci of two cylindrical mirrors, aligned to coincide with the trajectory of subsequently accelerated electrons. TWEAC leads to quasistatic acceleration conditions, which do not suffer from laser self-phase modulation, parasitic self-injection or other plasma instabilities. Particularly, and in contrast to LWFA and PWFA, a single TWEAC-stage can arbitrarily be extended in length to higher electron energies without changing the underlying acceleration mechanism. We introduce the new acceleration scheme, show results from 3D particle-in-cell simulations using PIConGPU, discuss energy scalability for both laser and electrons and elaborate on experimental realization requirements.

Keywords: Laser-produced plasmas; Plasma-based accelerators; Laser-wakefield acceleration; Traveling-wave electron acceleration; TWEAC

  • Lecture (Conference)
    DPG-Frühjahrstagung 2018, 19.-23.3.2018, Würzburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28501
Publ.-Id: 28501


Predictive geometallurgy: An interdisciplinary key challenge for mathematical geosciences

van den Boogaart, K. G.; Tolosana-Delgado, R.

Predictive geometallurgy tries to optimize the mineral value chain based on a precise and quantitative understanding of: the geology and mineralogy of the ores, the minerals processing, and the economics of mineral commodities. This chapter describes the state of the art and the mathematical building blocks of a possible solution to this problem. This solution heavily relies on all classical fields of mathematical geosciences and geoinformatics, but requires new mathematical and computational developments. Geometallurgy can thus become a new defining challenge for mathematical geosciences, in the same fashion as geostatistics has been in the first 50 years of the IAMG.

Keywords: Geostatistics; Statistical scales; Microstructure; Computational geometry; Processing optimisation; Value of information; Mineral liberation analyser; QUEMSCAN

  • Open Access Logo Book chapter
    Daya Sagar, B.S.; Cheng, Qiuming; Agterberg, Frits: Handbook of Mathematical Geosciences: Fifty Years of IAMG, Cham: Springer, 2018, 978-3-319-78998-9, 673-686
    DOI: 10.1007/978-3-319-78999-6_33

Permalink: https://www.hzdr.de/publications/Publ-28500
Publ.-Id: 28500


Control concepts for image-based structure tracking with ultrafast electron beam X-ray tomography

Windisch, D.; Bieberle, M.; Bieberle, A.; Hampel, U.

In this paper, a novel approach for tracking moving structures in multiphase flows over larger axial ranges is presented, which at the same time allows imaging the tracked structures and their environment. For this purpose, ultrafast electron beam X-ray computed tomography (UFXCT) is being extended by an image-based position control. Application is scanning and tracking of e.g. bubbles, particles, waves and other features of multiphase flows within vessels and pipes. Therefore, the scanner has to be automatically traversed with the moving structure basing on real-time scanning, image reconstruction and image data processing. In this paper we discuss requirements and different strategies for reliable object tracking. Promising tracking strategies have been numerically implemented and evaluated.

Keywords: Ultrafast X-ray computed tomography; structure tracking; multiphase flow; model predictive control

  • Open Access Logo Transactions of the Institute of Measurement and Control 42(2020)4, 691-703
    Online First (2019) DOI: 10.1177/0142331219858048

Permalink: https://www.hzdr.de/publications/Publ-28499
Publ.-Id: 28499


New Frontiers in Spectral-Spatial Hyperspectral Image Classification: The Latest Advances Based on Mathematical Morphology, Markov Random Fields, Segmentation, Sparse Representation, and Deep Learning

Ghamisi, P.; Maggiori, E.; Li, S.; Souza, R.; Tarabalka, Y.; Moser, G.; de Giorgi, A.; Fang, L.; Chen, Y.; Chi, M.; Serpico, S. B.; Benediktsson, J. A.

Airborne and spaceborne hyperspectral imaging systems have advanced in recent years in terms of spectral and spatial resolution, which makes data sets produced by them a valuable source for land-cover classification. The availability of hyperspectral data with fine spatial resolution has revolutionized hyperspectral image classification techniques by taking advantage of both spectral and spatial information in a single classification framework. The ECHO (Extraction and Classification of Homogeneous Objects) classifier, which was proposed in 1976, might be the first spectral-spatial classification approach of its kind in the remote sensing community. Since then and especially in the latest years, increasing attention has been dedicated to developing sophisticated spectral-spatial classification methods.
There is now a rich literature on this particular topic in the remote sensing community, composing of several fast-growing branches. In this paper, the latest advances in spectral-spatial classification of hyperspectral data are critically reviewed. More than 25 approaches based on mathematical morphology, Markov random fields, segmentation, sparse representation, and deep learning are addressed with an emphasis on discussing their methodological foundations. Examples of experimental results on three benchmark hyperspectral data sets, including both well-known long-used data and a recent data set resulting from an international contest, are also presented. Moreover, the utilized training and test sets for the aforementioned data sets as well as several codes and libraries are also shared online with the community.

Permalink: https://www.hzdr.de/publications/Publ-28498
Publ.-Id: 28498


Oscillating hydrogen bubbles at microelectrodes

Bashkatov, A.; Yang, X.; Hossain, S. S.; Mutschke, G.; Eckert, K.

Hydrogen produced via water electrolysis, which is powered by renewable energy, is an important energy carrier which may contribute to bridge the storage problem. However, the efficiency of alkaline water electrolyzers is not yet satisfying. Major reasons are the blockage of the active electrode area and the increase the ohmic resistance by the gas bubbles produced.
A deeper understanding of the mechanism of hydrogen bubble evolution therefore may provide additional opportunities to control and enhance the process. Microelectrodes which allow the inspection of single hydrogen bubble evolution are an interesting tool for that purpose [1].
Shadowgraphy and micro-PIV techniques, coupled to measurements of the electric current under potentiostatic mode at a 100 µm Pt electrode led to observation of a novel dynamic phenomenon. This consists in an oscillatory behavior of the hydrogen bubbles at the electrode, which depends on the applied potential and the concentration of the acidic electrolyte. With increasing potential a transition from periodic upward and downward movements of the bubble towards bubble shape oscillations is observed. This phenomenon is connected with the formation of a carpet of a small bubbles at the foot of the growing bubble and includes an oscillatory form of the Marangoni convection recently found on hydrogen bubbles [2]. Two possible candidates for the driving mechanism of the oscillations are discussed.
References:
[1] Yang, Xuegeng, et al. Dynamics of single hydrogen bubbles at a platinum microelectrode. Langmuir 31.29 (2015): 8184-8193.
[2] Yang, Xuegeng, et al. Marangoni convection at electrogenerated hydrogen bubbles. Physical Chemistry Chemical Physics 20.17 (2018): 11542-11548.

Keywords: electrolysis; hydrogen bubble; oscillations; electric force

  • Lecture (Conference)
    90th Annual Meeting of the International Association of Applied Mathematics and Mechanics. The International Association of Applied Mathematics and Mechanics (GAMM e.V.), 18.-22.02.2019, Vienna, Austria

Permalink: https://www.hzdr.de/publications/Publ-28496
Publ.-Id: 28496


Airlift Reactor – Experiment and CFD Simulation

Hessenkemper, H.; Ziegenhein, T.

Airlift reactors are modified bubble columns, where internal walls separate the up- and downward flow sections. Since appropriate experiments with locally resolved flow parameters are hardly available, a CFD-grade dataset has been created to validate the HZDR baseline closure model set for an internal airlift reactor. The measurements include many important gas-liquid flow characteristics like gas volume fraction, liquid velocity, turbulence parameters and bubble size distributions for both, the riser and the downcomer. CFD simulations of the test facility were conducted using the URANS concept and compared to the experiments to show strengths and drawbacks of the used closure models. The results reveal that the CFD simulations are capable to predict void fraction in the riser as well as the liquid velocity over the whole cross section quite well. However, the void fraction along the downcomer could not be reproduced in the simulations.

  • Poster
    16th Multiphase Flow Conference and Short Course, 13.-16.11.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28495
Publ.-Id: 28495


Feature Extraction and Selection of Sentinel-1 Dual-Pol Data for Global-Scale Local Climate Zone Classification

Hu, J.; Ghamisi, P.; Zhu, X. X.

The concept of the local climate zone (LCZ) has been recently proposed as a generic land-cover/land-use classification scheme. It divides urban regions into 17 categories based on compositions of man-made structures and natural landscapes. Although it was originally designed for temperature study, the morphological structure concealed in LCZs also reflects economic status and population distribution. To this end, global LCZ classification is of great value for worldwide studies on economy and population. Conventional classification approaches are usually successful for an individual city using optical remote sensing data. This paper, however, attempts for the first time to produce global LCZ classification maps using polarimetric synthetic aperture radar (PolSAR) data. Specifically, we first produce polarimetric features, local statistical features, texture features, and morphological features and compare them, with respect to their classification performance. Here, an ensemble classifier is investigated, which is trained and tested on already separated transcontinental cities. Considering the challenging global scope this work handles, we conclude the classification accuracy is not yet satisfactory. However, Sentinel-1 dual-Pol SAR data could contribute the classification for several LCZ classes. According to our feature studies, the combination of local statistical features and morphological features yields the best classification results with 61.8% overall accuracy (OA), which is 3% higher than the OA produced by the second best features combination. The 3% is considerably large for a global scale. Based on our feature importance analysis, features related to VH polarized data contributed the most to the eventual classification result.

Permalink: https://www.hzdr.de/publications/Publ-28494
Publ.-Id: 28494


Contamination effects on the lift force of ellipsoidal air bubbles rising in saline water solutions

Hessenkemper, H.; Ziegenhein, T.; Lucas, D.

The lift force is known to strongly influence the lateral bubble distribution in bubbly flows and is therefore an important force that has to be modeled in corresponding CFD simulations. For ellipsoidal bubbles, which are mostly present in industrial cases, the strength as well as the direction in which the lift force acts is determined by the bubble deformation. The bubble deformation however, can strongly be reduced when surface-active contaminations like salts are present in the liquid bulk, which implies a change of the lift force by contaminations too. In the present work, lift coefficients for single bubbles rising in aqueous NaCl solutions were determined to investigate the influence of such an inorganic surfactant on the lift force. For this purpose, a recently developed method by Ziegenhein et al. [Int. J. Multiphase Flow, Vol. 108, 11-24 (2018)] is used, which is capable to measure the lift force in low viscous liquids. Besides the lift force, the bubble shape and slip velocity were studied in detail to connect the results to known contamination effects, which showed different behavior in dependence on the salt concentration. The results reveal that the contamination level plays an important role on changes of the lift force in comparison to clean bubbles. Up to a concentration of 1.0 mol/l the salt has only a weak effect on the lift force of larger bubbles. The lift coefficients of smaller bubbles however, clearly show significant changes, which were also reflected in a change of the bubble shape. However, some findings could only be connected to the slip velocity, which implies a connection of the lift force to more than just the shape.

Keywords: Lift coefficient; Bubbly flows; Contaminations; Bubble shape; Slip velocity; Sodium chloride

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Permalink: https://www.hzdr.de/publications/Publ-28493
Publ.-Id: 28493


Radiometric Normalization of Multitemporal and Multisensor Remote Sensing Images Based on a Gaussian Mixture Model and Error Ellipse

Ghanbari, H.; Homayouni, S.; Ghamisi, P.; Safari, A.

Relative radiometric normalization is often required in time series analysis of satellite Earth observations such as land cover change detection. Normalization process reduces the radiometric differences caused by changes in the environmental conditions during the acquisition of multitemporal satellite images. In this paper, we proposed an efficient and automatic method based on Gaussian mixture model (GMM) to find a set of subjectively chosen invariant pixels. A linear model, based on Error Ellipse, was then adjusted to normalize the subject image. The proposed method involves two main steps; in the first step, invariant pixels, which are known as most probable unchanged pixels, were obtained by analyzing image differences estimated by GMMs. Then, these pixels were used to model the relationship between two multitemporal images. To evaluate the proposed method in real analysis scenarios, three multitemporal datasets acquired by different satellite sensors such as Ikonos, Quickbird, SuperView-1, and Worldview-2 were analyzed. These images were collected before and after the 2011's Japan and the 2004's Indonesia Tsunamis, and the 2017's Iran–Iraq earthquake. Experimental results demonstrated that the proposed method can considerably improve the radiometric variations between temporal images for change detection applications.

  • IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing 11(2018)11, 4526-4533
    DOI: 10.1109/JSTARS.2018.2871373

Permalink: https://www.hzdr.de/publications/Publ-28491
Publ.-Id: 28491


Feature importance analysis for Local Climate Zone classification using a residual convolutional neural network with multi-source datasets

Qiu, C.; Schmitt, M.; Mou, L.; Ghamisi, P.; Zhu, X. X.

Global Local Climate Zone (LCZ) maps, indicating urban structures and land use, are crucial for Urban Heat Island (UHI) studies and also as starting points to better understand the spatio-temporal dynamics of cities worldwide. However, reliable LCZ maps are not available on a global scale, hindering scientific progress across a range of disciplines that study the functionality of sustainable cities. As a first step towards large-scale LCZ mapping, this paper tries to provide guidance about data/feature choice. To this end, we evaluate the spectral reflectance and spectral indices of the globally available Sentinel-2 and Landsat-8 imagery, as well as the Global Urban Footprint (GUF) dataset, the OpenStreetMap layers buildings and land use and the Visible Infrared Imager Radiometer Suite (VIIRS)-based Nighttime Light (NTL) data, regarding their relevance for discriminating different Local Climate Zones (LCZs). Using a Residual convolutional neural Network (ResNet), a systematic analysis of feature importance is performed with a manually-labeled dataset containing nine cities located in Europe. Based on the investigation of the data and feature choice, we propose a framework to fully exploit the available datasets. The results show that GUF, OSM and NTL can contribute to the classification accuracy of some LCZs with relatively few samples, and it is suggested that Landsat-8 and Sentinel-2 spectral reflectances should be jointly used, for example in a majority voting manner, as proven by the improvement from the proposed framework, for large-scale LCZ mapping.

Permalink: https://www.hzdr.de/publications/Publ-28490
Publ.-Id: 28490


Nonlinear plasmonic response of doped nanowires observed by infrared nanospectroscopy

Lang, D.; Balaghi, L.; Winnerl, S.; Schneider, H.; Hübner, R.; Kehr, S. C.; Eng, L. M.; Helm, M.; Dimakis, E.; Pashkin, A.

We report a strong shift of the plasma resonance in highly doped GaAs/InGaAs core/shell nanowires for intense infrared excitation observed by scattering-type scanning near-field infrared microscopy. The studied nanowires show a sharp plasma resonance at a photon energy of about 125 meV in the case of continuous-wave excitation by a CO₂ laser. Probing the same nanowires with the pulsed free-electron laser with peak electric field strengths up to several 10 kV/cm reveals a power-dependent redshift to about 95 meV and broadening of the plasmonic resonance. We assign this effect to a substantial heating of the electrons in the conduction band and subsequent increase of the effective mass in the nonparabolic Γ-valley.

Keywords: nonlinear plasmonics; infrared nanospectroscopy; s-SNIM; free-electron laser; nanowires; InGaAs

Permalink: https://www.hzdr.de/publications/Publ-28489
Publ.-Id: 28489


Hyperspectral and LiDAR Fusion Using Deep Three-Stream Convolutional Neural Networks

Li, H.; Ghamisi, P.; Soergel, U.; Zhu, X. X.

Recently, convolutional neural networks (CNN) have been intensively investigated for the classification of remote sensing data by extracting invariant and abstract features suitable for classification. In this paper, a novel framework is proposed for the fusion of hyperspectral images and LiDAR-derived elevation data based on CNN and composite kernels. First, extinction profiles are applied to both data sources in order to extract spatial and elevation features from hyperspectral and LiDAR-derived data, respectively. Second, a three-stream CNN is designed to extract informative spectral, spatial, and elevation features individually from both available sources. The combination of extinction profiles and CNN features enables us to jointly benefit from low-level and high-level features to improve classification performance. To fuse the heterogeneous spectral, spatial, and elevation features extracted by CNN, instead of a simple stacking strategy, a multi-sensor composite kernels (MCK) scheme is designed. This scheme helps us to achieve higher spectral, spatial, and elevation separability of the extracted features and effectively perform multi-sensor data fusion in kernel space. In this context, a support vector machine and extreme learning machine with their composite kernels version are employed to produce the final classification result. The proposed framework is carried out on two widely used data sets with different characteristics: an urban data set captured over Houston, USA, and a rural data set captured over Trento, Italy. The proposed framework yields the highest OA of 92.57% and 97.91% for Houston and Trento data sets. Experimental results confirm that the proposed fusion framework can produce competitive results in both urban and rural areas in terms of classification accuracy, and significantly mitigate the salt and pepper noise in classification maps.

Permalink: https://www.hzdr.de/publications/Publ-28488
Publ.-Id: 28488


A Flow Pattern Adaptive Multi-field Two-fluid Concept for turbulent two-phase flows

Schlegel, F.; Meller, R.; Oertel, R.

Industrial applications feature a huge variety of different flow patterns, such as bubbly flow, slug flow or annular flow. Thereby the issue of a big range of different physical scales is involved. With the objective of reproduction of occurring phenomena with one single multifluid solver, we present an Euler-Euler-approach, which combines a number of different methods for treatment of the partial aspects. The implementation into OpenFOAM is always with focus on sustainable research, including a state-of-the-art IT concept. A segregated approach is used for treatment of the phase momentum equations, phase fraction equations and the pressure equation, featuring a consistent momentum interpolation scheme (Cubero et al., 2014). To fulfill the kinematic condition at resolved interfaces between different continuous phases, the latter may be coupled either by an isotropic (Strubelj and Tiselj, 2011) or by an anisotropic drag. In both cases, the immensely strong phase coupling requires an adapted numerical method. State and evolution of bubble size distribution in disperse phase context is solved with either class or moment methods. The overall objective is to take interactions between the all different aspects, such as disperse phases, resolved interfaces and turbulence with effects on momentum and mass transfer into account.

  • Poster
    16th Multiphase Flow Conference and Short Course, 13.-16.11.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28487
Publ.-Id: 28487


Magnetoacoustic Relaxation by Cr2-+ Jahn–Teller Centers Revealed from Elastic Moduli

Gudkov, V. V.; Bersuker, I. B.; Zhevstovskikh, I. V.; Sarychev, M. N.; Zherlitsyn, S.; Yasin, S.; Korostelin, Y. V.

Magnetoacoustic investigations of the ZnSe:Cr2+ crystal with sphalerite structure, performed in Faraday geometry, show that there is a new channel of relaxation by the Cr2+ Jahn–Teller (JT) centers, induced by the magnetic field. A new method is worked out that allows to extract the relaxation time, either from the temperature changes of the elastic modulus in fixed magnetic field or from the magnetic field dependences at fixed temperatures. Application of both approaches to the imaginary part of the elastic modulus prove their efficiency and indicate that the magnetic field dependent relaxation rate reaches the magnitude of about 106s-1 at T = 1.3 K.

Permalink: https://www.hzdr.de/publications/Publ-28486
Publ.-Id: 28486


Technical note: Co-localized (colloidal probe) atomic force microscopy / Raman spectroscopy measurements for floatability characterization

Babel, B.; Rudolph, M.

Atomic force microscopy measurements are chemically blind towards the underlying sample surface. On chemically heterogeneous samples e.g. ores the identification of regions of interest relies on the optical microscopic image and previous sample characterizations e.g. by a SEM + EDX combination. In this paper, we demonstrate for the first time the application of co-localized colloidal probe atomic force microscopy / Raman (CP-AFM-Raman) measurements, combining the wettability information of a cassiterite in a quartz matrix with the identification of the mineral phases by their Raman spectra at a high spatial resolution of only 1 µm. Additional topography measurements are performed highlighting the selective adsorption of sulfosuccinamate molecules, resulting in a nano-structuring of the cassiterite surface by collector molecules.

Keywords: Atomic force microscopy; hydrophobic interactions; Raman spectroscopy; flotation research; adsorption; cassiterite

Permalink: https://www.hzdr.de/publications/Publ-28485
Publ.-Id: 28485


Fast preparation and recycling method for colloidal probe cantilevers in hydrophobic mapping applications

Babel, B.; Rudolph, M.

Probe contamination of atomic force microscope (AFM) tips with colloidal probes is limiting the lifetime of the probe and the reproducibility in force interaction measurements, rendering cantilevers useless. Earlier proposed cleaning methods like mechanical scrubbing, UV, plasma and solvent cleaning procedures have limitations especially for inorganic particulate contaminations. In this paper we demonstrate a fast procedure to recycle contaminated colloidal probe cantilevers and reequip them with pristine colloids without affecting the mechanical and structural properties of the cantilever. The proposed procedure reduces the total time for probe preparation and allows extended experimental test work with singular cantilevers reducing the deviations by cantilever calibration.

Keywords: Atomic force microcopy; recyclable cantilevers; fast colloidal probe preparation; adhesion imaging; contaminations

Permalink: https://www.hzdr.de/publications/Publ-28484
Publ.-Id: 28484


Investigating reagent-mineral interactions by colloidal probe atomic force microscopy

Babel, B.; Rudolph, M.

The characterization of reagent-mineral interactions in flotation systems of finely intergrown ores holds difficult challenges for the applicability of standard techniques like Hallimond tube tests and contact angle experiments or renders them impossible due to a lack of sufficient samples in terms of quality and quantity. This disadvantage may not apply to more sophisticated techniques, but these often do not work in an aqueous environment.
We present the utilization of an atomic force microscope with a hydrophobic colloidal probe to characterize the wettabilities of individual mineral domains of an ore sample, while additional spectral information is gathered by Raman spectroscopy. The exemplary ore sample investigated is mainly containing cassiterite and quartz, therefore the reference measurements like Hallimond tube tests and contact angle experiments were carried out with this binary system as a comparison.
The focus of the study lies in the correlation of data gathered by the atomic force microscope and the Raman spectrometer with data from standard techniques. Finally the applicability of the colloidal probe atomic force microcopy technique for reagent-mineral investigations is critically evaluated.

Keywords: Atomic force microscope; colloidal probe; hydrophobic interactions; Raman spectroscopy; cassiterite

  • Contribution to proceedings
    International Mineral Processing Congress, 17.-21.09.2018, Moskau, Russland
    International Mineral Processing Congress (IMPC 2018)
  • Lecture (Conference)
    International Mineral Processing Congress 2018, 19.09.2018, Moskau, Russland

Permalink: https://www.hzdr.de/publications/Publ-28483
Publ.-Id: 28483


Physical model of the Czochralski crystal growth in a horizontal magnetic field

Pal, J.; Grants, I.; Eckert, S.; Gerbeth, G.

The horizontal magnetic field (HMF) may improve conditions in the melt during large silicon single crystal growth by the Czochralski technique. This observation is counter-intuitive as the HMF evidently breaks the rotational symmetry. A previous study has shown that the HMF is not able to
significantly delay the Rayleigh-Bénard instability in a rotating cylinder [1]. It has been observed [2] that an oscillating flow sets in soon after the linear onset. Can we expect a stabilizing effect of the HMF in the Czochralski growth? Why the symmetry breaking by the HMF is eventually not
so relevant? These are two central questions for our primarily experimental study using the room-temperature eutectic alloy GaInSn for dedicated model experiments, allowing an almost complete measurement of the velocity field inside the melt [3]. Besides, it is also meant as a benchmark for comparison with the numerical codes. To serve the latter purpose the boundary conditions should be preferably well defined. Having this in mind the temperature boundary conditions are defined as follows. An isothermal heating is applied at the bottom of a cylindrical cell filled with GaInSn
alloy. The side wall is thermally insulated. An optionally rotating isothermal cooler models the growing crystal. A water-cooled layer of an alkaline solution keeps the rest of the metal surface free from oxides and models the radiation heat loss. The maximum HMF strength is 0.3 T that
corresponds to a Hartmann number of about 1200. Velocity profiles are measured by ultrasound Doppler velocimetry. Temperatures are monitored in the vicinity of the triple point at the rim of the cooler, at the rim of the cell, inside of the cooler and of the heater. The Nusselt-Grashof number
dependency is obtained by controlling the total heat flux injected at the bottom and measuring the temperature difference between the bottom plate and the cooler. The critical cooler rotation rate is determined at which the rotation introduces a significant variation of the velocity field dominated by the HMF-aligned convection rolls.

Keywords: Czochralski; Physical model; horizontal magnetic field

  • Open Access Logo Contribution to proceedings
    International Workshop on Modeling in Crystal Growth, 21.-24.10.2018, Kailua-Kona, Hawaii, USA
    Program of the 9 th International Workshop on Modeling in Crystal Growth
  • Lecture (Conference)
    International Workshop on Modeling in Crystal Growth, 21.-24.10.2018, Kailua-Kona, Hawaii, USA

Permalink: https://www.hzdr.de/publications/Publ-28481
Publ.-Id: 28481


Electroforming-free resistive switching in polycrystalline YMnO3 thin films

Rayapati, V. R.; Du, N.; Bürger, D.; Patra, R.; Skorupa, I.; Matthes, P.; Stöcker, H.; Schulz, S. E.; Schmidt, H.

Polycrystalline YMnO3 thin films sandwiched between an un-patterned bottom electrode (Pt or Pt/Ti) and a circular top electrode (Au or Al) reveal an electroforming-free, unipolar resistive switching. We report YMnO3 resistive switching devices endurance depending on the bottom electrode and the top electrode. The number of loading cycles of the Al/YMnO3/Pt resistive switch is larger than 103. The resistance ratio between the high resistance (OFF) and the low resistance (ON) state is larger than 104, which can be further increased to 105 by decreasing the diameter of the Al top electrode.

Permalink: https://www.hzdr.de/publications/Publ-28480
Publ.-Id: 28480


Dissipation-Induced Instabilities in Magnetized Flows

Kirillov, O. N.

We study local instabilities of a differentially rotating viscous flow of electrically conducting incompressible fluid subject to an external azimuthal magnetic field. A hydrodynamically stable flow can be destabilized by the magnetic field both in an ideal and a viscous and resistive system giving rise to the azimuthal magnetorotational instability. A special solution to the equations of ideal magnetohydrodynamics characterized by the constant total pressure, the fluid velocity parallel to the direction of the magnetic field, and by the magnetic and kinetic energies that are finite and equal—the Chandrasekhar equipartition solution—is marginally stable in the absence of viscosity and resistivity. Performing a local stability analysis, we find the conditions under which the azimuthal magnetorotational instability can be interpreted as a dissipation-induced instability of the Chandrasekhar equipartition solution.

Permalink: https://www.hzdr.de/publications/Publ-28479
Publ.-Id: 28479


A Flow Pattern Adaptive Multi-Field Two-Fluid Concept for Turbulent Two-Phase Flows

Meller, R.; Schlegel, F.; Lucas, D.

Industrial applications feature a huge variety of different flow patterns, such as bubbly flow, slug flow or annular flow. Thereby the issue of a big range of different physical scales is involved. With the objective of reproduction of occurring phenomena with one single multifluid solver, we present an Euler-Euler-approach, which combines a number of different methods for treatment of the partial aspects. The implementation into OpenFOAM is always with focus on sustainable research. A segregated approach is used for treatment of the phase momentum equations, phase fraction equations and the pressure equation, featuring a consistent momentum interpolation scheme (Cubero et al., 2014). To fulfill the kinematic condition at resolved interfaces between different continuous phases, the latter may be coupled by an isotropic drag (Strubelj and Tiselj, 2011). In this case, the immensely strong phase coupling requires an adapted numerical method. The overall objective is to take interactions between the all different aspects, such as disperse phases, resolved interfaces and turbulence with effects on momentum and mass transfer into account.

Keywords: computational fluid dynamics; two-fluid model; multiphase; numerical method

  • Lecture (others)
    Seminar des Instituts für Mathematik und Rechneranwendungen der Universität der Bundeswehr München, 09.02.2018, München, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28478
Publ.-Id: 28478


On machine learning algorithms and compositional data

Tolosana-Delgado, R.; Talebi, H.; van den Boogaart, K. G.

Predictive methods such as Lasso regression, partition trees and random forests (RF), artificial neural networks (ANN) and deep learning, or support-vector machines (SVM) and other kernel methods have become in the last years increasingly popular, also in the compositional data community. However, most of the contributions using machine learning algorithms on compositional data just applied the relevant method to an additive, centered or isometric log-ratio (alr, clr, ilr) transformed version of the training data, without caring about the properties of the construct. In this contribution we briefly review the fundamental construction of these methods, and check in which way can they be tweaked or adapted to account for the compositional scale of the data.

As an example, a binary partition tree aims at constructing a hierarchy of classification, where each branch splits the data in two subgroups according to the one single covariable that provides highest purity of the two resulting subgroups; at the end of the hierarchy, all branches contain only data from one pure group. Random Forests (Breiman, 2001) were introduced to deal with the obvious over-fitting of partition trees, with a double randomisation strategy: first bootstrapping the number of observations, creating B different trees that form the forest; second, each branching of each tree is based not on the whole set of variables, but on a different random subset of them. The fact that at each branching only one variable is actively used makes the method non-invariant under the choice of possible log-ratio transformations. A way to allow for this one feature selection while keeping the relative nature of compositional information would be to build the trees on the set of pairwise log-ratios (pwlr). This applies to all kinds of tree-based methods with compositional covariables.

Keywords: affine equivariance; subcompositional coherence; variable selection

  • Open Access Logo Contribution to proceedings
    8th International Workshop on Compositional Data Analysis, 03.-08.06.2019, Terrassa, Spanien

Permalink: https://www.hzdr.de/publications/Publ-28476
Publ.-Id: 28476


In vivo confirmation of altered hepatic glucose metabolism in patients with liver fibrosis/cirrhosis by 18F-FDG PET/CT

Verloh, N.; Einspieler, I.; Utpatel, K.; Menhart, K.; Brunner, S.; Hofheinz, F.; van den Hoff, J.; Wiggermann, P.; Evert, M.; Stroszczynski, C.; Hellwig, D.; Grosse, J.

Objective: The aim of this study was to assess the value of 18F-FDG PET/CT for quantitative assessment of hepatic metabolism in patients with different stages of liver fibrosis/cirrhosis. Materials and methods: 18F-FDG PET/CT scans of 37 patients either with or without liver fibrosis/cirrhosis, classified according to the METAVIR score (F0-F4) obtained from histopathological analysis of liver specimen, were analyzed retrospectively and classified as follows: no liver fibrosis (F0, n = 6), mild liver fibrosis (F1, n = 11), advanced liver fibrosis (F2, n = 6), severe liver fibrosis (F3, n = 5), and liver cirrhosis (F4, n = 11). The liver-to-blood ratio (LBR, scan time corrected for a reference time of 75 min) was compared between patient groups. Results: Patients with liver fibrosis or cirrhosis (≥ F1; LBR 1.53 ± 0.35) showed a significant higher LBR than patients with normal liver parenchyma (F0, 1.08 ± 0.23; P = 0.004). In direct comparison, LBR increased up to the advanced stage of liver fibrosis (F2; 2.00 ± 0.40) and decreased until liver cirrhosis is reached (F4, 1.32 ± 0.14). Conclusion: Functional changes in liver parenchyma during liver fibrosis/cirrhosis affect hepatic glucose metabolism and significantly differ between stages of liver fibrosis/cirrhosis, classified according to the METAVIR scoring system, as demonstrated by LBR quantification by 18F-FDG PET/CT.

Keywords: 18F-FDG PET/CT; FDG kinetics; Hepatic metabolism; Liver cirrhosis; Liver fibrosis; METAVIR score

Permalink: https://www.hzdr.de/publications/Publ-28475
Publ.-Id: 28475


U(VI) sorption on Ca-bentonite at (hyper)alkaline conditions – Spectroscopic investigations of retention mechanisms

Philipp, T.; Shams Aldin Azzam, S.; Rossberg, A.; Huittinen, N.; Schmeide, K.; Stumpf, T.

Environmental conditions in deep geological repositories for radioactive waste may involve high pH values due to the degradation of concrete. However, the U(VI) sorption at such (hyper)alkaline conditions is still poorly understood. In this study, batch sorption experiments with Ca-bentonite in the pH range 8–13 at different carbonate concentrations were combined with spectroscopic investigations in order to gain insight into the underlying retention mechanisms. It was found that U(VI) sorption strongly correlates with the aqueous U(VI) speciation determined by time-resolved laser-induced luminescence spectroscopy (TRLFS). Increasing retention with increasing pH was accompanied by a change in aqueous speciation from uranyl carbonates to uranyl hydroxides. The occurrence of luminescence line -narrowing and a decreased frequency of the symmetric stretch vibration, deduced from site-selective TRLFS, indicate the presence of adsorbed U(VI) surface complexes. X-ray absorption fine structure (EXAFS) spectroscopy confirms that surface precipitation does not contribute significantly to the removal of U(VI) from solution but that retention occurs through the formation of two non-equivalent U(VI)-complexes on the bentonite surface. The present study demonstrates that in alkaline environments, where often only precipitation processes are considered, adsorption can provide effective retention of U(VI), despite the anionic character of prevailing aqueous species.

Keywords: uranium; Ca-bentonite; sorption; (hyper)alkaline; site-selective TRLFS; EXAFS; speciation; surface complexation

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Permalink: https://www.hzdr.de/publications/Publ-28474
Publ.-Id: 28474


Eulerian multiphase flow modelling: bubbly flow with phase change

Liao, Y.; Krepper, E.; Ding, W.

Phase change phenomena such as evaporation and condensation are encountered frequently in daily life and technical applications. However, reliable numerical simulation of these processes is still challenging mainly due to insufficient knowledge on the mechanism of interfacial mass, momentum and energy exchanges. In the context of two-fluid model, developing and applying general closures for the representation of interfacial structures and exchanging processes is of great significance. In the presentation the HZDR baseline modelling approach for poly-dispersed bubbly flow with details on bubble size, interfacial area density, sub-cooled wall boiling as well as interphase heat transfer coefficient will be introduced. Application examples for condensing, flash evaporating and wall boiling flows will be presented.

  • Invited lecture (Conferences)
    Lectures on multiphase CFD at Central South University, 06.-08.06.2018, Changsha, China

Permalink: https://www.hzdr.de/publications/Publ-28473
Publ.-Id: 28473


Turbulence-Interface Interaction in Large-Eddy Simulations with a Two-Fluid Model

Meller, R.; Klein, M.; Lucas, D.; Schlegel, F.

With the aim of a generalized model framework for two-phase flows, cases with large scale interfaces are modeled by means of a two-fluid model in the manner of large-eddy simulations. In this context a number of unclosed terms due to the filtering operation arise. One of them is the classical convective sub-grid scale turbulence stress term. Different closure models for the convective sub-grid scale term are adapted to the presented model framework and a-posteriori investigations are carried out in order to compare the influence of the different modeling approaches.

Keywords: computational fluid dynamics; two-fluid model; large-eddy simulation; multiphase; rising bubble

Related publications

  • Contribution to proceedings
    12th International ERCOFTAC Symposium on Engineering Turbulence Modelling and Measurements, 26.-28.09.2018, Montpellier, Frankreich
  • Lecture (Conference)
    12th International ERCOFTAC Symposium on Engineering Turbulence Modelling and Measurements, 26.-28.09.2018, Montpellier, Frankreich

Permalink: https://www.hzdr.de/publications/Publ-28472
Publ.-Id: 28472


On numerical simulation of flashing flows

Liao, Y.; Lucas, D.

Flashing of water into steam due to decompression or pressure loss is a familiar scenario during the LOCA accident of Light Water Reactors. Because of its relevance to the safety analysis there have been many research activities since the mid of last century. Nevertheless, the understanding of nucleation characteristics, bubble dynamics, as well as interphase exchanges remains insufficient, which makes it quite difficult to define the problem precisely in numerical simulations. As a result, a broad consensus on numerical methods for flashing flows is not available, and various models have been used even for the same case. For example, the critical flashing flow in a converging-diverging nozzle has been studied either with cavitation models or thermal phase change models, and there is little discussion on the contribution of mechanical and thermal effects under given temperature and pressure conditions. A guideline for selecting an appropriate model is desirable, which is clearly not an easy task due to complex physics and missing insights. Under the guidance of a baseline model concept presented in our previous work the present work will focus on the evaluation of existing numerical methods for flashing flows, and aim to discover the underlying laws with help of computational fluid dynamics and experimental data. The temporal and spatial distribution of evaporated steam will be reproduced numerically, and the effect of closure models for interphase exchanging rates as well as bubble dynamics will be discussed.

Keywords: closure model; computational fluid dynamics; flashing flow; numerical methods; phase change

  • Contribution to proceedings
    The 18th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-18), 18.-22.08.2019, Portland, USA
  • Lecture (Conference)
    The 18th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-18), 18.-22.08.2019, Portland, USA

Permalink: https://www.hzdr.de/publications/Publ-28464
Publ.-Id: 28464


Euler-Euler Simulation of Fluid Dynamics and Mass Transfer in Bubbly Flows

Rzehak, R.; Kappelt, C.

CFD simulations of dispersed bubbly flow on the scale of technical equipment are feasible within the Eulerian two-fluid framework of interpenetrating continua. However, accurate numerical predictions rely on suitable closure models. To achieve predictive capability, all details of the closure models have to be fixed in advance without reference to any measured data.
Concerning the fluid dynamics of bubbly flows a baseline model has recently been proposed to this end and shown to work for a range of different applications in a unified manner1,2. This provides a reliable background which is well suited to add more complex physics. Concerning mass transfer in bubbly flows only few studies have been performed to date3. For the mass transfer coefficient, a variety of entirely different closures have been applied in rather similar situations. To facilitate predictive applications, a standard model which is validated for a broad range of conditions yet has to be developed.
The present contribution considers two test cases from the literature, where mass transfer takes place during the absorption of oxygen into water. The first case is a bubbly mixing layer4, the second is concerned with co-current bubble column flow5. The above mentioned baseline model is used for the fluid dynamical part of the simulation model. Two different correlations for the mass transfer coefficient are considered6, which had been used in previous work. Sources of uncertainty in both, models and data, are discussed. Taking into account possible measurement errors, reasonable agreement between simulations and measurements is found for the present situations. Needs for further experimental data to facilitate qualification of a generally applicable model are specified.

Keywords: Euler-Euler simulation; dispersed gas-liquid multiphase flow; mass-transfer

  • Lecture (Conference)
    12th European Fluid Mechanics Conference, 09.-13.09.2018, Wien, Österreich

Permalink: https://www.hzdr.de/publications/Publ-28463
Publ.-Id: 28463


Euler-Euler modelling of bubble dynamics in flashing flows

Liao, Y.; Lucas, D.

A poly-disperse multiple-size-group approach, which is a class method of population balance, is developed for two-fluid modelling of the evolution of gas-liquid mixture during flash evaporation. Special efforts are dedicated to the development and validation of sub models for describing bubble nucleation, coalescence and breakup as well as interfacial heat transfer rates. The baseline model with a fixed set of closures for interphase momentum transfer and bubble-induced turbulence, which was proposed in the previous work and validated for isothermal cases, is extended by a mechanistic model for the overall heat transfer coefficient from liquid to gas-liquid interface, and the model for bubble growth and shrinkage due to phase change. The poly-disperse approach is applied to simulate evaporating pipe flow under pressure release transients, which is controlled by the operation of a blow-off valve. CFD-grade experimental data including local bubble size and void fraction as well as velocity distributions are available for model validation. The comparison demonstrates that the model is effective in capturing the temporal course of vapour bubbles’ generation and growth as well as their spatial distribution. The agreement between measured and simulated cross-section averaged flow parameters such as void fraction, liquid temperature and bubble size distribution is satisfying.

  • Contribution to proceedings
    10th International Conference on Multiphase Flow, ICMF2019, 19.-24.05.2019, Rio de Janeiro, Brazil
  • Lecture (Conference)
    10th International Conference on Multiphase Flow, ICMF2019, 19.-24.05.2019, Rio de Janeiro, Brazil

Permalink: https://www.hzdr.de/publications/Publ-28462
Publ.-Id: 28462


Euler-Euler Closure for Bubbly Flows with Full Reynolds Stress Model and Anisotropic Bubble-induced Turbulence

Rzehak, R.; Parekh, J.

In the present work, Euler-Euler modeling of bubbly flows is combined with a full Reynolds stress model for the turbulence in the liquid carrier phase. Reynolds stress models have only rarely been explored in this context, although effects requiring this level of description are frequently encountered in industrial applications towards which the Euler-Euler approach is geared. In particular, source terms describing the additional bubble-induced contribution to the liquid phase turbulence with proper account for its anisotropy have not firmly been established yet. A formulation based on the direction of bubble motion relative to the liquid is given here. Two well-known variants of Reynolds stress models due to Launder, Reece and Rodi and Speziale, Sarkar and Gatski are compared. Closure relations for the bubble forces are applied that have been shown previously to work well over a range of conditions. The model is validated by comparison with a set of pipe flow data that contains variations of liquid and gas flow rates as well as different pipe diameters. An important criterion for the selection of the data was to provide measurements of individual components of the Reynolds stress tensor.

Keywords: Euler-Euler simulation; dispersed gas-liquid multiphase flow; turbulence modeling; Reynolds-strss model; bubble-induced turbulence

  • Poster
    Jahrestreffen der ProcessNet-Fachgruppe CFD, 06.-07.03.2018, Bremen, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28461
Publ.-Id: 28461


The year-long development of microorganisms in uncompacted Bavarian bentonite slurries at 30 °C and 60 °C

Matschiavelli, N.; Kluge, S.; Podlech, C.; Standhaft, D.; Grathoff, G.; Ikeda-Ohno, A.; Warr, L.; Chukharkina, A.; Arnold, T.; Cherkouk, A.

In the multi-barrier concept for the deep geological disposal of high-level radioactive waste (HLW), bentonite is proposed as a potential barrier and buffer material for sealing the space between the steel-canister containing the HLW and the surrounding host rock. In order to broaden the spectra of appropriate bentonites, we investigated the metabolic activity and diversity of naturally occurring microorganisms as well as their time-dependent evolution within the industrial B25 Bavarian bentonite under repository-relevant conditions. We conducted anaerobic microcosm-experiments containing the B25 bentonite and a synthetic Opalinus Clay pore water solution, which were incubated for one year at 30 °C and 60 °C. Metabolic activity was only stimulated by the addition of lactate, acetate or H2. The majority of lactate- and H2-containing microcosms at 30 °C were dominated by strictly anaerobic, sulfate-reducing and spore-forming microorganisms. The subsequent generation of hydrogen sulfide led to the formation of iron-sulfur precipitations. Independent from the availability of substrates, thermophilic bacteria dominated microcosms that were incubated at 60 °C. However, in the respective microcosms, no significant metabolic activity occurred and there was no change in the analyzed bio-geochemical parameters.

Keywords: high-level radioactive waste repository; sulfate-reduction; spores; thermophiles

Permalink: https://www.hzdr.de/publications/Publ-28460
Publ.-Id: 28460


Bio-Angeln zum Recycling von Elektroschrott

Lederer, F.

Bio-Angeln zum Recycling von Elektroschrott

  • Lecture (others)
    Geissinger Technikerstammtisch am HZDR, 7.11.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28459
Publ.-Id: 28459


Effect of pH on the Formation of Gibbsite-Layer Films at the Muscovite (001)−Water Interface

Lee, S. S.; Schmidt, M.; Sturchio, N. C.; Nagy, K. L.; Fenter, P.

Aluminum (oxy)hydroxide films play an important role as sorbents of toxic elements in aqueous environments, where their heterogeneous nucleation and growth can be controlled by the speciation of dissolved Al species and the charge and structure of underlying mineral surfaces. The structure of gibbsite films nucleated at the interface between the muscovite (001) surface and 1 mM AlCl3 solutions was investigated as a function of pH using in situ X-ray reflectivity. Growth of well-ordered gibbsite films was observed at pH 3–4, even when the solutions were undersaturated with respect to gibbsite. The ordering of these gibbsite films likely resulted from the structural similarity (i.e., epitaxy) between the basal planes of gibbsite and muscovite. In contrast, no film growth was observed at pH 9–12 where the solutions were supersaturated with respect to gibbsite. These results indicate that adsorption and accumulation of aqueous Al(III) species (i.e., Al3+ and AlOH2+ at acidic pH) is a critical step for the formation of secondary minerals on the negatively-charged muscovite surface.

Keywords: Mica, Nucleation, Epitaxy; AFM; CTR/RAXR; X-ray Reflectivity

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Permalink: https://www.hzdr.de/publications/Publ-28458
Publ.-Id: 28458


Transport properties of Cu-doped bismuth selenide single crystals at high magnetic fields up to 60 Tesla: Shubnikov–de Haas oscillations and π-Berry phase

Romanova, T. A.; Knyazev, D. A.; Wang, Z.; Sadakov, A. V.; Prudkoglyad, V. A.

We report Shubnikov-de Haas (SdH) and Hall oscillations in Cu-doped high quality bismuth selenide single crystals. To increase the accuracy of Berry phase determination by means of the of the SdH oscillations phase analysis we present a study of n-type samples with bulk carrier density n ∼ 1019 − 1020 cm−3 at high magnetic field up to 60 Tesla. In particular, Landau level fan diagram starting from the value of the Landau index N = 4 was plotted. Thus, from our data we found π-Berry phase that directly indicates the Dirac nature of the carriers in three-dimensional topological insulator (3D TI) based on Cu-doped bismuth selenide. We argued that in our samples the magnetotransport is determined by a general group of carriers that exhibit quasi-two-dimensional (2D) behaviour and are characterized by topological π-Berry phase. Along with the main contribution to the conductivity the presence of a small group of bulk carriers was registered. For 3D-pocket Berry phase was identified as zero, which is a characteristic of trivial metallic states.

Permalink: https://www.hzdr.de/publications/Publ-28457
Publ.-Id: 28457


High-Field Magnetization Study of R2Fe17N2 (R = Ho and Er) Nitrides

Tereshina, I. S.; Tereshina-Chitrova, E. A.; Pelevin, I. A.; Doerr, M.; Law, J. M.; Verbetski, V. N.; Salamova, A. A.

The structure and magnetic properties of the nitrided compounds R2Fe17N2 (R = Ho and Er) are studied. The type of crystal structure Th2Ni17 is preserved upon nitrogenation, and the relative unit cell volume ΔV/V increase exceeds 6%. Magnetic studies are performed in fields up to 60 T at 4.2 K on aligned powder samples. Field-induced spin-reorientation (SR) transitions are observed in the M(H) curves of R2Fe17N2. Unlike the parent R2Fe17 compounds, where the magnetization increases in steps as the field grows stronger, 2Fe17N2 demonstrate a gradual increase in magnetization. It is indicative of the change of the SR transition from first to the second type. Extrapolation of magnetization curves to the theoretical value of magnetization in the forced ferromagnetic state yields the coefficient of the inter-sublattice R–Fe exchange interaction. The inter-sublattice exchange is found to decrease upon nitrogenation.

Permalink: https://www.hzdr.de/publications/Publ-28456
Publ.-Id: 28456


MsRi-CCF: Multi-Scale and Rotation-Insensitive Convolutional Channel Features for Geospatial Object Detection

Wu, X.; Hong, D.; Ghamisi, P.; Li, W.; Tao, R.

Geospatial object detection is a fundamental but challenging problem in the remote sensing community. Although deep learning has shown its power in extracting discriminative features, there is still room for improvement in its detection performance, particularly for objects with large ranges of variations in scale and direction. To this end, a novel approach, entitled multi-scale and rotation-insensitive convolutional channel features (MsRi-CCF), is proposed for geospatial object detection by integrating robust low-level feature generation, classifier generation with outlier removal, and detection with a power law. The low-level feature generation step consists of rotation-insensitive and multi-scale convolutional channel features, which were obtained by learning a regularized convolutional neural network (CNN) and integrating multi-scaled convolutional feature maps, followed by the fine-tuning of high-level connections in the CNN, respectively. Then, these generated features were fed into AdaBoost (chosen due to its lower computation and storage costs) with outlier removal to construct an object detection framework that facilitates robust classifier training. In the test phase, we adopted a log-space sampling approach instead of fine-scale sampling by using the fast feature pyramid strategy based on a computable power law. Extensive experimental results demonstrate that compared with several state-of-the-art baselines, the proposed MsRi-CCF approach yields better detection results, with 90.19% precision with the satellite dataset and 81.44% average precision with the NWPU VHR-10 datasets. Importantly, MsRi-CCF incurs no additional computational cost, which is only 0.92 s and 0.7 s per test image on the two datasets. Furthermore, we determined that most previous methods fail to gain an acceptable detection performance, particularly when they face several obstacles, such as deformations in objects (e.g., rotation, illumination, and scaling). Yet, these factors are effectively addressed by MsRi-CCF, yielding a robust geospatial object detection method.

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Permalink: https://www.hzdr.de/publications/Publ-28455
Publ.-Id: 28455


Element Selectivity in Second-Harmonic Generation of GaFeO3 by a Soft-X-Ray Free-Electron Laser

Yamamoto, S.; Omi, T.; Akai, H.; Kubota, Y.; Takahashi, Y.; Suzuki, Y.; Hirata, Y.; Yamamoto, K.; Yukawa, R.; Horiba, K.; Yumoto, H.; Koyama, T.; Ohashi, H.; Owada, S.; Tono, K.; Yabashi, M.; Shigemasa, E.; Yamamoto, S.; Kotsugi, M.; Wadati, H.; Kumigashira, H.; Arima, T.; Shin, S.; Matsuda, I.

Nonlinear optical frequency conversion has been challenged to move down to the extreme ultraviolet and x-ray region. However, the extremely low signals have allowed researchers to only perform transmission experiments of the gas phase or ultrathin films. Here, we report second harmonic generation (SHG) of the reflected beam of a soft x-ray free-electron laser from a solid, which is enhanced by the resonant effect. The observation revealed that the double resonance condition can be met by absorption edges for transition metal oxides in the soft x-ray range, and this suggests that the resonant SHG technique can be applicable to a wide range of materials.We discuss the possibility of element-selective SHG spectroscopy measurements in the soft x-ray range.

Permalink: https://www.hzdr.de/publications/Publ-28454
Publ.-Id: 28454


Ultra-fast annealing manipulated spinodal nano-decomposition in Mn-implanted Ge

Liu, C.; Hübner, R.; Xie, Y.; Wang, M.; Xu, C.; Jiang, Z.; Yuan, Y.; Li, X.; Yang, J.; Li, L.; Weschke, E.; Prucnal, S.; Helm, M.; Zhou, S.

In the present work, millisecond-range flash lamp annealing is used to recrystallize Mnimplanted Ge. Through systematic investigations of structural and magnetic properties, we find that the flash lamp annealing produces a phase mixture consisting of spinodally decomposed Mn-rich ferromagnetic clusters within a paramagnetic-like matrix with randomly distributed Mn atoms. Increasing the annealing energy density from 46, via 50, to 56 J cm−2 causes the segregation of Mn atoms into clusters, as proven by transmission electron microscopy analysis and quantitatively confirmed by magnetization measurements. According to x-ray absorption spectroscopy, the dilute Mn ions within Ge are in d5 electronic configuration. This Mn-doped Ge shows paramagnetism, as evidenced by the unsaturated magnetic-field-dependent x-ray magnetic circular dichroism signal. Our study reveals how spinodal decomposition occurs and influences the formation of ferromagnetic Mn-rich Ge–Mn nanoclusters.

Keywords: ion implantation; flash lamp annealing; spinodal decomposition; Ge–Mn nanoclusters

Permalink: https://www.hzdr.de/publications/Publ-28453
Publ.-Id: 28453


Femtosecond resonant magneto-optical Kerr effect measurement on an ultrathin magnetic film in a soft X-ray free electron laser

Yamamoto, S.; Kubota, Y.; Yamamoto, K.; Takahashi, Y.; Maruyama, K.; Suzuki, Y.; Hobara, R.; Fujisawa, M.; Oshima, D.; Owada, S.; Togashi, T.; Tono, K.; Yabashi, M.; Hirata, Y.; Yamamoto, S.; Kotsugi, M.; Wadati, H.; Kato, T.; Iwata, S.; Shin, S.; Matsuda, I.

Time-resolved magneto-optical Kerr effect (MOKE) measurement was demonstrated on a sample of the Au/Fe/Au heterostructure with the Fe layer of 0.35nm thickness under Fe M-edge resonance condition. An ultrabrilliant free electron laser (FEL) in the soft X-ray range was facilitated for the detection of transient signals of resonant MOKE from the ultrathin Fe film. A variation in the Kerr rotation angle was successfully observed on the femtosecond timescale. This technique enables us to reveal the transient magnetization dynamics of such a-few-monolayer magnetic films, which promote the development of spintronic devices.

Permalink: https://www.hzdr.de/publications/Publ-28452
Publ.-Id: 28452


Neugier trifft Know-how: Erfahrungsaustausch für Wissenschaftlerinnen zu ERC und Marie-Sklodowska-Curie Maßnahmen

Lederer, F.

Neugier trifft Know-How:
Erfahrungsaustusch für Wissenschaftlerinnen zu ERC und Marie-Sklodowska-Curie-Maßnahmen

  • Invited lecture (Conferences)
    Neugier trifft Know-how: Erfahrungsaustausch für Wissenschaftlerinnen zu ERC und Marie-Sklodowska-Curie-Maßnahmen, 12.11.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28451
Publ.-Id: 28451


Stochastic Modeling of Multidimensional Particle Properties Using Parametric Copulas

Furat, O.; Leißner, T.; Bachmann, K.; Gutzmer, J.; Peuker, U.; Schmidt, V.

In this paper, a prediction model is proposed which allows the mineralogical characterization of particle systems observed by X-ray micro tomography (XMT). The model is calibrated using 2D image data obtained by a combination of scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS) in a planar cross-section of the XMT data. To reliably distinguish between different minerals the model is based on multidimensional distributions of certain particle characteristics describing, e.g., their size, shape and texture. These multidimensional distributions are modeled using parametric Archimedean copulas, since other approaches like kernel density estimation require much larger sample sizes and are thus less practical. Parametric copulas have the advantage of describing the correlation structure of complex multidimensional distributions with only a few parameters. With the help of such distributions the proposed prediction model is able to distinguish between different types of particles among the entire XMT image.

Keywords: X-ray micro tomography (XMT); mineral liberation analyzer (MLA); stereology; multidimensional particle characterization; parametric copula

Permalink: https://www.hzdr.de/publications/Publ-28450
Publ.-Id: 28450


Chromatopanning for the identification of gallium binding peptides

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

This study is concerned with a chromatography-based approach for the recovery of gallium binding peptide sequences from a recombinant phage display library.
The phage display technology is a promising tool for the identification of highly specific peptide biosorbents for the recognition and binding of gallium in aqueous solutions. However, the success of the peptide selection strongly depends on the chosen biopanning method. Stable target immobilization, as well as low unspecific interactions is a prerequisite for the enrichment of strong binding peptides. The underlying procedure of phage clone selection is sophisticated but has many advantages for biopanning experiments using metal ions as a target, such as an enhanced monitoring of process conditions and fractionation of eluates.
Here we report about the development of chromatography-based biopanning methods for gallium as target ion and the enrichment of putative gallium binding clone types.
The methods meet the requirements for stable immobilization of the target metal ions during the entire biopanning process and complete recovery of well interacting bacteriophage clones.
Phage clones expressing the peptide sequences TMHHAAIAHPPH, SQALSTSRQDLR and HTQHIQSDDHLA were identified and characterized to bind >10 fold better to a target that presents immobilized gallium ions, thus being promising sequence motifs for the development of peptide-based biosorbents.

Keywords: Phage display; gallium; peptides; chromatopanning

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Permalink: https://www.hzdr.de/publications/Publ-28449
Publ.-Id: 28449


The role of functional imaging in lung cancer

Bütof, R.; Troost, E. G. C.

Over the past decade, functional imaging by means of 18F-fluorodeoxyglucose positron emission tomography (FDG-PET/CT) has improved tumor staging and treatment planning leading to somewhat higher survival rates, in particular in NSCLC patients. This review focuses on the recent insight gained and at current challenges encountered while pursuing improved outcome in patients suffering from NSCLC or SCLC. © 2018, Italian Association of Nuclear Medicine and Molecular Imaging.

Keywords: NSCLC; Positron emission tomography; Radiotherapy; SCLC; Selective nodal irradiation

Permalink: https://www.hzdr.de/publications/Publ-28448
Publ.-Id: 28448


Transition from antiferromagnetic ground state to robust ferrimagnetic order with Curie temperatures above 420 K in manganese-based antiperovskite-type structures

Zhang, X.; Yuan, Q.; Gao, T.; Ren, Y.; Wu, H.; Huang, Q.; Zhao, J.; Wang, X.; Yuan, Y.; Xu, C.; Hu, Y.; Dynes, J. J.; Zhou, J.; Zhou, S.; Liu, Y.; Song, B.

Manganese (Mn)-based antiperovskite structures (Mn3AX, where A and X represent the 3d transition-metal elements and N or C atoms, respectively) have attracted growing attention because of their novel electronic and magnetic properties. However, the lack of an effective approach to regulate the magnetic coupling in Mn3AX crystal structure, particularly in antiferromagnetic ground states, hinders their further design and applications. Herein, robust high-temperature ferrimagnetic order with a Curie temperature (TC) in the range of B390–420 K was successfully achieved in Mn3GaxNx (x = 0.5, 0.6, and 0.7) via composition-deficient engineering. A systematic investigation, including synchrotron X-ray diffraction, neutron powder diffraction, pair distribution function, X-ray absorption near-edge structure, magnetic characterization, and first-principles calculations, convincingly indicated that the redistribution of partial atoms in the antiferromagnetic ground state was responsible for the observed long-range magnetic order. These results not only provide a new perspective into the design and construction of high-temperature ferrimagnets based on the Mn3AX structure, but also open up a promising avenue for the further design of Mn3AX-based spintronic or other multifunctional devices.

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Permalink: https://www.hzdr.de/publications/Publ-28447
Publ.-Id: 28447


Systematic study of multipactor suppression techniques for a superconducting rf gun

Tulu, E. T.; van Rienen, U.; Arnold, A.

Future light sources such as synchrotron radiation sources driven by an energy recovery linac, free electron lasers, or THz radiation sources have in common that they require injectors, which provide high-brilliance, high-current electron beams in almost continuous operation. Thus, the development of appropriate highly brilliant electron sources is of key importance. With its superconducting radio-frequency photo-injector (SRF gun) the Helmholtz-Zentrum Dresden-Rossendorf provided a promising approach for this key component, which has since been adopted in other laboratories. Nevertheless, some limitations occur caused by electron multipacting, which should be suppressed in order to further improve the gun. In this contribution, we present a detailed analysis of multipacting in the critical area of the SRF gun and different suppression techniques for it. The analytical predictions on the threshold for multipacting are qualitatively comparable with numerical simulation results and experimental data. Finally, we present specific surface structuring as an effective method to mitigate the multipacting phenomenon from the photocathode channel.

Keywords: superconducting RF; electron source; SRF gun; multipacting

Permalink: https://www.hzdr.de/publications/Publ-28446
Publ.-Id: 28446


Convection-Caused Symmetry Breaking of Azimuthal Magnetorotational Instability in a Liquid Metal Taylor-Couette Flow

Stefani, F.; Seilmayer, M.

In the laboratory, the magnetorotational instability (MRI) can be observed in azimuthal (AMRI) or helical (HMRI) magnetic field configurations. In both variants, the shear flow between the two cylinders is operating in the hydrodynamically stable regime (Ωo∕Ωi >0.25). AMRI occurs then as an m=1 -symmetric wave with a characteristic drift and spatial frequency. First evidence of AMRI was obtained some years ago by Seilmayer et al. [1]. A Taylor Couette (TC) setup, filled with liquid metal (GaInSn), was exposed to a magnetic field Bφ∝r^(-1), which lead to instability of the flow. In that previous setup, the necessary current was supplied by a large frame of copper rods which also caused a residual m=1 magnetic field disturbance producing a stationary dominant background flow. Since then, several changes took place to circumvent external asymmetries and influences.
The main improvement was the symmetric current return path which eliminates the m=1 background flow and reduces stray fields. This optimized magnetic field system leads to a symmetric B_φ distribution. However, remaining mechanical misalignments of each axis (two cylinder axes, central rod axis) still impose a weak residual m=1 modulation of magnetic field with respect to the liquid metal flow. Nevertheless, the field displacement could be minimized to a value in the order of 1 mm by the present installation.
We observe a reasonable energy dependence of the dominant m=1 mode on the Hartmann number. But drift and spatial distribution differ from theory [2] and may depend on current and/or B_φ. The main feature is a symmetry breaking, which leads to an AMRI wave which is mainly located at the top of the cylinder. This is surprising since the theoretical prediction point to a symmetric wave with m=± 1 configuration. However, the wave component in the lower half of the cylindrical volume remained missing until now. The measured velocity in the range of v=O(1 mm/s) is inferred from an Ultrasound Doppler Velocimetry (UDV) system.
Recent observations indicate that thermal convection could be a possible source of symmetry breaking. It turns out that a minimal radial heat flux q ̇≈0.1 W⋅m^(-2) or a temperature difference of about Δϑ≈10^(-2) K across the cylindrical gap can cause a significant convection flow in the present TC-setup. Here, significant Rayleigh numbers Ra≈10^(4…5) can be achieved right from the beginning because of the liquid metal properties with a typically low Prandtl number of Pr=0.033 in conjunction with the low viscosity ν=3.4⋅10^(-7) m^2⋅s^(-1). As the driving heat source the radiation of the inner current carrying rod could be identified.
Figure 2 (left) summarizes different convective flow regimes, which occur for a hydrodynamic stable TC configuration with Ωi=0, Ωo≈0 and Irod=20 kA driving the convection due to radiation from the central rod. The thermal boundary condition is then defined by the vacuum insulation (Fig. 1 (1)) and the inner boundary of the vessel (Fig. 1 (8)) forming a small cylindrical gap with 3 mm in width and 0.4 m in height. The combinations of different insulation schemes (top/bottom/open chimney) indicate a connection between heat transport features and thermal convection. The solid line in Figure 2 (left) is the result of an axisymmetric MHD-simulation to verify the “convective” flow pattern, which was gained experimentally by UDV. Figure 2 (right) illustrates an ARMI run with Ω_o⁄Ω_i =0.26 and I=12.87 kA (Ha=100) when the yellow coil (see Fig. 1) heated the fluid to ϑ_Fluid≈30°C prior which also corresponds to a heat flux pointing radially inward. The AMRI wave then travels upwards as seen in the left part. Right after the switch off event at t=0 the hot copper coil starts to cool down. In the moment the heat flux points radially outwards again at t≈3000 s, the wave at the bottom is suppressed and the wave in the upper half starts to evolve as usual. Here convection reverses to normal operation which corresponds to a heated-from-inside regime.
We like to present experimental results giving evidence of the dependence of AMRI mode on thermal boundary conditions which affect the symmetry breaking of AMRI in a TC-setup.

[1] M. Seilmayer, V. Galindo, G. Gerbeth, T. Gundrum, F. Stefani, M. Gellert, G. Rüdiger, M. Schultz, and R. Hollerbach, Phys. Rev. Lett. 113, 024505 (2014).
[2] G. Rüdiger, R. Hollerbach, M. Gellert, and M. Schultz, Astron. Nachrichten 328, 1158 (2007).

Keywords: AMRI; magnetorotational instability; Taylor Couette

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  • Contribution to proceedings
    11th pamir International Conference Fundamental and Applied MHD, 01.-05.07.2019, Reims, République française
    Proceedings on the 11th pamir International Conference Fundamental and Applied MHD
  • Magnetohydrodynamics 56(2020)2-3, 225-235
    DOI: 10.22364/mhd.56.2-3.14

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  • Secondary publication expected from 16.12.2021

Permalink: https://www.hzdr.de/publications/Publ-28445
Publ.-Id: 28445


Ab-initio study of electronic and magneto-optical properties of InAs:Mn

Gan’Shina, E.; Kulatov, E.; Golik, L.; Kun’Kova, Z.; Uspenskii, Y.; Zykov, G.; Yuan, Y.; Zhou, S.

Energy difference between the ferromagnetic and antiferromagnetic collinear orderings has been calculated for the uniform and dimer Mn-pair geometries in order to find the ground state distribution of the Mn atoms in InAs host. We find the preference of the dimer ferromagnetic configuration of Mn dopants and an importance of optimizing the atomic site positions. The frequency-dependent optical and magneto-optical properties, namely the dielectric tensor (on-and off-diagonal components), the electron energy loss spectra, and the transversal Kerr effect (TKE), are calculated. Calculated TKE resonance in In1-xMnxAs (x=0.0625) is found to be in good agreement with corresponding experimental magneto-optical spectra. The origin of the large TKE is discussed.

  • Open Access Logo Contribution to proceedings
    Moscow International Symposium on Magnetism 2017, 01.-05.07.2017, Moscow, Russia
    Moscow International Symposium on Magnetism (MISM 2017): EPJ Web of Conferences, 185, 06008
    DOI: 10.1051/epjconf/201818506008

Permalink: https://www.hzdr.de/publications/Publ-28444
Publ.-Id: 28444


Bacillus safensis JG-B5T affects the fate of selenium

Fischer, S.; Jordan, N.; Krause, T.; Lederer, F.; Merroun, M. L.; Shevchenko, A.; Hübner, R.; Jain, R.

Selenium is toxic to aquatic organisms even at µg L−1 range concentration. Further, the toxicity of selenium not only depends on its concentration but also on speciation. Thus, understanding the fate of the selenium in the environment is important. Micro-organisms are known to affect the speciation and hence mobility of selenium. This study, for the first time, evaluated the interaction of selenium oxyanions and strain Bacillus safensis JG-B5T, which was isolated from the Haberland uranium waste pile in Johanngeorgenstadt (Saxony) in 1997. The study showed that the B. safensis JG-B5T can reduce selenite, but not selenate, to selenium nanoparticles. Further, the growth of B. safensis JG-B5T is not affected by the presence of 2.5 mM of selenate and observed a lag of 8 h in presence of 2.5 mM selenite. The high resolution time-dependent TEM images has suggested that the extracellular production of Se NPs. The genomic data has pointed to the role of membrane associated reductases or extracellular reducing mechanism for the reduction of selenite. The high mobility, due to the presence of protein corona and negative zeta potential, and extracellular origin of Se NPs make them mobile. Thus, B. safensis JG-B5T can change the speciation and mobility of dissolved selenite and affect the fate of selenium in the environment.

Keywords: Selenium; speciation; availability; transformation

  • Invited lecture (Conferences)
    Research frontiers in chalcogen cycles science and technology, 06.-07.12.2018, Naples, Italy

Permalink: https://www.hzdr.de/publications/Publ-28443
Publ.-Id: 28443


Ion implantation + sub-second annealing: a route towards hyperdoped semiconductors

Zhou, S.

Doping allows us to modify semiconductor materials for desired electrical, optical and magnetic properties. The solubility limit is a fundamental barrier for dopants incorporated into a specific semiconductor. Hyperdoping refers to doping a semiconductor much beyond the corresponding solid solubility limit and often results in exotic properties. For example, Ga hyperdoped Ge reveals superconductivity and Mn hyperdoped GaAs represents a typical ferromagnetic semiconductor. Ion implantation followed by annealing is a well-established method to dope Si and Ge. This approach has been maturely integrated with the IC industry production line. However, being applied to hyperdoping, the annealing duration has to be shortenedto millisecond or even nanosecond. The intrinsic physical parameters related to dopants and semiconductors (e.g. Solubility, diffusivity, melting point and thermal conductivity) have to be considered to choose the right annealing time regime. In this talk, we propose that ion implantation combined with flash lamp annealing in millisecond and pulsed laser melting in nanosecond can be a versatile approach to fabricate hyperdoped semiconductors. The examples include magnetic semiconductors [1-5], highly mismatched semiconductor alloys (Ge1-xSnx [6] and GaAs1-xNx [7]), n++ Ge [8, 9] and chalcogen doped Si [10-12].

[1] M. Khalid, et al., Phys. Rev. B 89, 121301(R) (2014).
[2] S. Zhou, J. Phys. D: Appl. Phys. 48, 263001(2015).
[3] S. Prucnal, et al., Phys. Rev. B 92, 222407 (2015).
[4] Y. Yuan, et al., ACS Appl. Mater. Interfaces, 8, 3912 (2016).
[5] Y. Yuan, et al., Phys. Rev. Mater. 1, 054401 (2017).
[6] K. Gao, et al., Appl. Phys. Lett.,105, 042107 (2014).
[7] K. Gao, et al., Appl. Phys. Lett.,105, 012107 (2014).
[8] S. Prucnal, et al., Sci.Reports 6, 27643(2016).
[9] S. Prucnal, et al., Semicond. Sci. Technol. 32 115006 (2017).
[10] S. Zhou, et al., Sci. Reports 5, 8329(2015).
[11] Y. Berencén, et al., Adv. Mater. Inter. 5, 1800101 (2018).
[12] M. Wang, et al., Phys. Rev. Applied. 10, 024054 (2018).

  • Invited lecture (Conferences)
    International Conference on Radiation and Emission in Materials, 20.-23.11.2018, Chiang Mai, Thailand
  • Invited lecture (Conferences)
    Seminar at Hongkong University, 15.11.2018, Hong Kong, China
  • Lecture (Conference)
    Seminar at University Leipzig, 05.12.2018, Leipzig, Germany

Permalink: https://www.hzdr.de/publications/Publ-28442
Publ.-Id: 28442


Anomalous Hall-like transverse magnetoresistance in Au thin films on Y3Fe5O12

Kosub, T.; Velez, S.; Gomez-Perez, J. M.; Hueso, L. E.; Fassbender, J.; Casanova, F.; Makarov, D.

Anomalous Hall-like signals in platinum in contact with magnetic insulators are common observations that could be explained by either proximity magnetization or spin Hall magnetoresistance (SMR). In this work, longitudinal and transverse magnetoresistances are measured in a pure gold thin film on the ferrimagnetic insulator Y3Fe5O12 (Yttrium Iron Garnet, YIG). We show that both the longitudinal and transverse magnetoresistances have quantitatively consistent scaling in YIG/Au and in a YIG/Pt reference system when applying the SMR framework. No contribution of an anomalous Hall effect due to the magnetic proximity effect is evident. Published by AIP Publishing.

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Permalink: https://www.hzdr.de/publications/Publ-28440
Publ.-Id: 28440


Efficient ion-slicing of InP thin film for Si-based hetero-integration

Lin, J.; You, T.; Wang, M.; Huang, K.; Zhang, S.; Jia, Q.; Zhou, M.; Yu, W.; Zhou, S.; Wang, X.; Ou, X.

Integration of high quality single crystalline InP thin film on Si substrate has potential applications in Si-based photonics and high-speed electronics. In this work, the exfoliation of a 634 nm crystalline InP layer from the bulk substrate was achieved by sequential implantation of He ions and H ions at room temperature. It was found that the sequence of He and H ion implantations has a decisive influence on the InP surface blistering and exfoliation, which only occur in the InP pre-implanted with He ions. The exfoliation efficiency first increases and then decreases as a function of H ion implantation fluence. A kinetics analysis of the thermally activated blistering process suggests that the sequential implantation of He and H ions can reduce the InP thin film splitting thermal budget dramatically. Finally, a high quality 2 inch InP-on-Si(100) hetero-integration wafer was fabricated by He and H ion sequential implantation at room temperature in combination with direct wafer bonding.

Keywords: InP-on-Si; hetero-integration; ion-slicing; wafer bonding

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Permalink: https://www.hzdr.de/publications/Publ-28439
Publ.-Id: 28439


Development of a Refined RTD-Based Efficiency Prediction Model for Cross-flow Trays

Vishwakarma, V.; Schubert, M.; Hampel, U.

The present work describes the mathematical formulation of a new tray efficiency model through refinement of the conventional residence time distribution (RTD) approach [Foss et al. AIChE J. 1958, 4(2), 231−239]. Geometrical partitioning of a tray into compartments along the main liquid flow direction is a prerequisite in the new model. This partitioning allows computation of the tray efficiency through quantification of the efficiency of the individual compartments. The new model ensures that the fluid dynamics of each compartment contributes toward the overall tray efficiency. This breaks the previous black-box convention of the existing models, which only refer to flow profiles at the tray boundaries. The tray segmentation further aids in analyzing the impact of vapor flow maldistribution on the tray efficiency. The capabilities of the new model are demonstrated in two separate case studies after the model validation for perfectly mixed liquid flow in the compartments and biphasic plug flow on the tray.

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Permalink: https://www.hzdr.de/publications/Publ-28438
Publ.-Id: 28438


Effect of flow non-idealities and vapor-liquid equilibrium characteristics on tray column efficiency: a case study

Vishwakarma, V.; Rigos, N.; Schubert, M.; Hampel, U.

Distillation columns are energy-intensive process equipments as they account for 10 to 15% of the global energy consumption.(1) According to a recent estimate, 50% of the existing columns in the world are equipped with cross-flow trays.(2) Such columns are cascades of trays with similar geometry and function. Thus, trays are considered as the fundamental unit in distillation columns.(3) This generalization has led to numerous experimental and numerical studies on hydrodynamics and separation efficiency of individual trays. The methods for integrating individual tray performances in a column with the overall column efficiency have been largely unexplored. Reasonable estimates of the column efficiency based on vapor-liquid equilibrium (VLE) characteristics and flow non-idealities on tray internals are possible to obtain during the column design phase. This can reduce column’s cost and energy consumption through design modification and process optimization.
In this work, two separate case studies are formulated for displaying the approach of the overall column efficiency prediction based on flow non-idealities and VLE characteristics of binary mixtures on column trays. Basically, the axial dispersion model is firstly used to assign non-idealities to the liquid flow on column trays. The VLE data for binary mixtures are then generated using the Soave-Redlich-Kwong (SRK) model and the Non-Random Two-Liquid (NRTL) model inbuilt in Aspen Plus. Thereafter, the mathematical models(3) are employed to obtain the tray efficiency based on given liquid dispersion and VLE data using an iterative procedure for the presumed point efficiencies. In the first study, this procedure is employed for different binary mixtures getting distilled in a theoretical column operating under total reflux condition as shown in Fig. 1.

Fig. 1. McCabe-Thiele diagram for Benzene-Toluene mixture in total reflux column at 1 atm with pseudo-VLE curves for tray Péclet number as 2 and 40 and EOV = 0.5.

In the second study, the same procedure is used to analyze real column data of binary mixtures taken from the literature. For both studies, the graphical stepping procedure of equilibrium and non-equilibrium trays in the McCabe-Thiele diagram is shown (Fig. 1) in this work. The relocation of the pseudo-VLE curve in this diagram with respect to liquid dispersion on trays signifies their impact on the overall column efficiency. This work also motivates for the formulation of better tray efficiency models in the future, as they are a key aspect of column efficiency calculations.

(1) D. S. Sholl, R. P. Lively. Seven chemical separations to change the world. Nature News, 532(7600), 435, 2016.
(2) A. Górak, Z. Olujić. Distillation: equipment and processes, Academic Press. 2014.
(3) V. Vishwakarma, M. Schubert, U. Hampel. Assessment of separation efficiency modeling and visualization approaches pertaining to flow and mixing patterns on distillation trays, Chemical Engineering Science, 185, 182-208, 2018.

  • Lecture (Conference)
    Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik und Membrantechnik, 27.-29.03.2019, Potsdam, Germany

Permalink: https://www.hzdr.de/publications/Publ-28437
Publ.-Id: 28437


A novel RTD compartment model for tray efficiency predictions

Vishwakarma, V.; Schubert, M.; Hampel, U.

In the present work, a new model built through refinement of the existing residence time distribution model [Foss, PhD Thesis, University of Delaware, 1957] is proposed. In this new model, the tray is imaginarily partitioned into compartments along the liquid flow direction between tray inlet and outlet. This partitioning allows computing the tray efficiency through quantification of the efficiencies of the individual compartments. Therefore, the fluid dynamics of each compartment contribute towards the evolving tray efficiency, thereby breaking the tray’s black-box convention. The tray segmentation further supports in studying the effects of vapor maldistribution as well as flow path length on the tray efficiency. This indicates the versatility and advantage of the new model over the existing ones. In particular, the mathematical formulation of this model along with its theoretical validation and application through analysis of suitable case studies are presented.

  • Open Access Logo Chemical Engineering Transactions 69(2018), 331-336
    DOI: 10.3303/CET1869056
  • Poster
    Distillation and Absorption 2018, 16.-19.09.2018, Florence, Italy

Permalink: https://www.hzdr.de/publications/Publ-28435
Publ.-Id: 28435


Advancement in tray efficiency modeling through RTD chambers

Vishwakarma, V.; Schubert, M.; Hampel, U.

Cross-flow trays are widely favored vapor-liquid contacting devices in the process industry. It is approximated that distillation columns consume 3% of the worldwide energy, while half of them are equipped with trays. An accurate quantification of column performance is a prerequisite prior to process optimization through external measures. Since a column is a cascade of trays with more or less same function, it is appropriate to consider the trays as a fundamental unit of the column, and thus focus on understanding of their operation and performance.
Flow and mixing patterns on these trays strongly affect their separation efficiency. Mathematical models have been formulated in the literature to relate these patterns with the tray efficiency. Recent advances in imaging and simulation techniques have revealed the biphasic non-idealities existing on the trays. The available efficiency models, recently reviewed by Vishwakarma et al.(1), however, usually consider flow conditions at the tray boundaries only, and assume uniform homogenous vapor load on the tray. Such efficiency assessment conveys the impression of trays as a black-box.
A significant improvement in tray efficiency modeling can be achieved by mathematically segmenting the tray into an arbitrary number of chambers amidst inlet and outlet. A new model built upon the available residence time distribution (RTD) approach(2) is proposed in the present work, where the tray efficiency is computed through contribution of the RTD efficiencies of the individual chambers. This segmentation further complements in studying the impacts of vapor maldistribution and flow path length on the tray efficiency, thereby signifying the advantage of this new model over the existing ones. The mathematical construction of the proposed model along with its theoretical validation and analyses through case studies will be highlighted in this work. The cases studies will further attempt to break the black-box convention of the trays.

(1) V. Vishwakarma, M. Schubert and U. Hampel. ‘Distillation tray efficiency modelling: a forgotten chapter’, Jahrestreffen der ProcessNet-Fachgruppe Fluidverfahrenstechnik, 16-17 March 2016, Garmisch-Partenkirchen (Germany).

(2) A. S. Foss, J. A. Gerster and R. L. Pigford. ‘Effect of liquid mixing on the performance of bubble trays’, AIChE Journal, 4(2):231-239, 1958.

  • Poster
    Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik, Membrantechnik und Mischvorgänge, 27.-28.02.2018, Munich, Germany

Permalink: https://www.hzdr.de/publications/Publ-28434
Publ.-Id: 28434


Speciation of U(IV) sulfate in aqueous solution – spectroscopic characterization and thermodynamic modelling

Lehmann, S.; Steudtner, R.; Gerber, U.; Zimmermann, T.; Brendler, V.

For a high level radioactive waste disposal as well as former uranium mining sites after sealing U(IV) is expected to be the stable oxidation state due to reducing conditions. Thermodynamic data on U(IV) in aqueous solution is needed for a reliable safety assessment but still sparse by reason of its low solubility and a lack of appropriate measuring systems. By employing a combination of absorption- and fluorescence spectroscopy to study U(IV) sulfate complexation in acidic aqueous solution we gained complex formation constants, extinction coefficients and single component absorption spectra of U4+, UOH3+, U(SO4)2+ and U(SO4)2.

  • Lecture (others)
    Workshop of Doctoral Candidates (PhD student seminar), 13.12.2018, Zittau, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28432
Publ.-Id: 28432


Integration of VNIR-SWIR hyperspectral core scanning in predictive geometallurgical modelling

Tusa, L.; Andreani, L.; Gilbricht, S.; Ivascanu, P.; Gloaguen, R.; Gutzmer, J.

Traditionally during exploration campaigns, geochemical and conventional drill-core logging data is acquired in order to understand the formation and zonality of mineral deposits. The zonality and variability of the mineralization are most commonly linked to the changes in alteration assemblages and therefore the development of a detailed alteration model would allow a better understanding of the distribution and mode of occurrence of mineralization – and provides important, early clues to processing characteristics. Here, we introduce a methodology for rapid extraction of mineralogical, textural and structural features from exploration core. Data obtained can be easily integrated into 3D numerical models and linked to other exploration data (e.g. grade). Mineralogical and structural information is acquired using innovative image classification and segmentation techniques on hyperspectral VNIR-SWIR core scans. Scanning electron microscopy (SEM)-based analyses performed on representative samples allow for thorough investigations of the modal mineralogy and microfabric attributes of specific mineralization styles – with samples selected based on the results of hyperspectral core scans. The methodology is applied to the Bolcana copper-gold porphyry deposit (Romania), where extensive drilling has been performed by Eldorado Gold. The system shows complex transitions between lithological and alteration assemblages thus representing a particularly suitable case study. Results obtained illustrate that the integration of hyperspectral data with conventional core logs and structural data (Reflex IQ-logger) provided by Eldorado Gold offers insight into the spatial and directional distribution of vein types and associated alteration assemblages. The integration of SEM-data permits unique insight into processing characteristics – thus enabling the construction of a predictive geometallurgical model to outline limits and opportunities of metallurgical testing already during the early exploration stage.

  • Contribution to proceedings
    Resources for future generations, 16.-21.06.2018, Vancouver, Canada
    Proceedings of Resources for future generations

Permalink: https://www.hzdr.de/publications/Publ-28431
Publ.-Id: 28431


Extraction of structural and mineralogical features from hyperspectral drill-core scans

Tusa, L.; Andreani, L.; Pohl, E.; Contreras, I. C.; Khodadadzadeh, M.; Gloaguen, R.; Gutzmer, J.

For vein hosted mineralization such as encountered in porphyry systems, the documentation of the main alteration assemblages associated with specific vein generations is essential in understanding the geometry of the mineralized body. Hence, mineralogical and structural information are highly relevant for characterizing the mineralization. In this paper, we present an approach for the extraction of both mineralogical and structural information from hyperspectral scans. We propose a parallel framework which includes a typical mineral mapping technique for the extraction of mineralogical information as well as a ridge detection method for the extraction of veins applied on mineral abundance maps. In the proposed framework, the abundance maps are obtained from hyperspectral VNIR-SWIR drill-core scans using a linear spectral unmixing technique. Drill cores hosting porphyry stockwork type mineralization are used for the evaluation of the proposed technique and the experimental results show that the method offers a tool for accurately characterizing the mineralized body.

Keywords: core scanning; hyperspectral imaging; image segmentation; feature extraction; mineral mapping

  • Contribution to proceedings
    IGARSS 2018 - 2018 IEEE International Geoscience and Remote Sensing Symposium, 23.-27.07.2018, Valencia, Spain
    Proceedings of IGARSS 2018
    DOI: 10.1109/IGARSS.2018.8517786

Permalink: https://www.hzdr.de/publications/Publ-28429
Publ.-Id: 28429


Robust intensity-modulated proton therapy with simultaneous integrated boost reduces the low-dose to surrounding tissues in pancreatic cancer patients

Stefanowicz, S.; Zschaeck, S.; Troost, E. G. C.

Purpose or Objective
Neoadjuvant or primary radiochemotherapy (RCT) are treatment options for patients with borderline resectable or unresectable locally advanced non-metastatic pancreatic cancer, respectively. Currently, the potential of RCT is hampered by an insufficient dose prescription to the target, limited by the close-by radiosensitive organs at risk (OAR). Dose-escalation to the gross tumor volume (GTV) along with the current standard dose to the elective volume using a simultaneous integrated boost approach (SIB) may lead to improved therapeutic outcome. In this in-silico feasibility study on SIB dose-escalation, we compared volumetric modulated arc therapy (VMAT) using photons with robust intensity-modulated proton therapy (IMPT).

Material and Methods
For each of five locally advanced pancreatic cancer patients, a VMAT and a robust multi-field optimized IMPT treatment plan were optimized on free-breathing treatment planning CTs using the RayStation treatment planning system (V5.99, RaySearch Laboratories AB, Sweden). For the photon treatment plan, the doses prescribed to 95% of the GTV and of the planning target volume (PTV: clinical target volume, CTV, plus a 5 mm margin) were to be at least 95% of 66Gy and 51Gy respectively, both in 30 fractions. For the proton plan, robust optimization to the CTV (instead of the PTV) with a setup uncertainty of 5mm and a density uncertainty of 3.5% was chosen, thus prescribing the dose of 51Gy(RBE) to 95% of the CTV (GTV with a margin and elective volume). The OAR dose constraints adhered to local guidelines and QUANTEC. For each treatment plan, doses to GTV, CTV, and OARs as well as the volume of normal tissue outside the CTV receiving a dose of ≥ 20Gy(RBE) (V20Gy) were compared.

Results
All treatment plans reached the prescribed doses to the GTV and CTV/PTV, irrespective of the technique. In some patients, doses to the bowel, stomach and liver exceeded the constraints since that OARs were next to or within the target volume. While the VMAT technique reduced the V50Gy of the bowel (median V50Gy: VMAT 20.4ccm vs. IMPT 23.3ccm) and stomach (median V50Gy: VMAT 1.2ccm vs. IMPT 4.5ccm), the radiation doses to the remaining gastrointestinal organs were lower for IMPT, e.g. liver (median V30Gy: VMAT 93.6ccm vs. IMPT 39.2ccm) and kidneys (median V20Gy of left/right kidney: VMAT 21.0ccm/16.1ccm vs. IMPT 13.8ccm/12.1ccm). Overall, the IMPT technique showed a lower dose deposition outside the targets for the surrounding normal tissue (median V20Gy: VMAT 1483.4ccm vs. IMPT 756.2ccm).

Conclusion
Disregarding the inter- and intra-fractional organ motion, dose escalation is possible for both treatment techniques. In comparison to VMAT, IMPT reduced the dose to the surrounding normal tissue, including relevant organs at risk. However, robust optimization increased the high-dose level to OARs overlapping with the target volume. Further patients will be included in this study and presented during the DKFK 2019.

  • Poster
    1. Deutscher KrebsForschungsKongress (DKFK), 04.-05.02.2019, Heidelberg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28428
Publ.-Id: 28428


First-principles study of the electronic structure and dielectric response function of diamond and other relevant high pressure phases of carbon up to 15 Mbar

Ramakrishna, K.; Vorberger, J.

The electronic structure and dielectric properties of the diamond, body centered cubic diamond (bc8), and hexagonal diamond (lonsdaleite) phases of carbon are computed using density functional theory and many-body perturbation theory up to 15 Mbar with the emphasis on the excitonic picture of the solid phases relevant in the regimes of high-pressure physics and warm dense matter (WDM). We also discuss the capabilities of reproducing the inelastic x-ray scattering spectra in comparison with the existing models.

Keywords: warm dense matter; high pressure; solid carbon; diamond; lonsdaleite; bc8; dynamic structure factor; GW; BSE; TDDFT; DFT

Permalink: https://www.hzdr.de/publications/Publ-28427
Publ.-Id: 28427


Status of the Digital Low Level RF at ELBE

Gümüş, Ç.; Hierholzer, M.; Kuntzsch, M.; Pfeiffer, S.; Schmidt, C.; Steinbrück, R.; Zenker, K.

Status of the Digital Low Level RF at ELBE is presented.

Keywords: ELBE; MicroTCA.4; LLRF; OPC UA; ChimeraTK

  • Lecture (others)
    6th ARD ST3 Workshop, 27.09.2018, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28426
Publ.-Id: 28426


Ab Initio Path Integral Monte Carlo Results for the Dynamic Structure Factor of Correlated Electrons: From the Electron Liquid to Warm Dense Matter

Dornheim, T.; Groth, S.; Vorberger, J.; Bonitz, M.

The accurate description of electrons at extreme density and temperature is of paramount importance for, e.g., the understanding of astrophysical objects and inertial confinement fusion. In this context, the dynamic structure factor S(q,w) constitutes a key quantity as it is directly measured in X-ray Thomson (XRTS) scattering experiments and governs transport properties like the dynamic conductivity. In this work, we present the first ab initio results for S(q,w) by carrying out extensive path integral Monte Carlo simulations and developing a new method for the required analytic continuation, which is based on the stochastic sampling of the dynamic local field correction G(q,w).
In addition, we find that the so-called static approximation constitutes a promising opportunity to obtain high-quality data for S(q; !) over substantial parts of the warm dense matter regime.

Keywords: warm dense matter; quantum Monte Carlo; electron gas; dynamic structure factor; local field correction

Permalink: https://www.hzdr.de/publications/Publ-28425
Publ.-Id: 28425


Digital Low Level RF at ELBE

Gümüş, Ç.; Hierholzer, M.; Kuntzsch, M.; Pfeiffer, S.; Schmidt, C.; Steinbrück, R.; Zenker, K.

The upgrade of the Low Level RF (LLRF) system of the Electron Linac for beams with high Brilliance and low Emittance (ELBE) at Helmholtz-Zentrum Dresden-Rossendorf (HZDR) is ongoing. A digital system based on MTCA.4 will replace the analogue system, which is operated since almost 20 years.The digital LLRF controller is implemented on a FPGA. The parametrisation and monitoring of the controller is performed by a ChimeraTK server application. ChimeraTK is a control system and hardware interface tool kit, which among others can provide an OPC-Unified Architecture (OPC-UA) interface. On the one hand, this interface is used to integrate the digital LLRF into the existing ELBE control and machine protection system, that is based on a Siemens PLC (S7) infrastructure. On the other hand, it is used to implement different additional clients of the ChimeraTK server application, such as the ELBE human machine interface used by the operators (WinCC, SCADA) or expert panels (e.g. LabView or Python). An overview of the new system including hardware as well as software components is given. In addition, first results of the full integration test including LLRF controller optimization and amplitude and phase noise measurements are presented.

Keywords: ELBE; MicroTCA.4; LLRF; OPC UA; ChimeraTK

  • Invited lecture (Conferences)
    MAMI Seminar, 08.11.2018, Mainz, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28424
Publ.-Id: 28424


Upgrade of the LLRF system at ELBE

Gümüş, Ç.; Hierholzer, M.; Kuntzsch, M.; Pfeiffer, S.; Schmidt, C.; Steinbrück, R.; Zenker, K.

The upgrade of the Low Level Radio Frequency (LLRF) system at the superconducting linear accelerator ELBE is about to being finished. A digital system based on MTCA.4 has been implemented and is going to replace the analogue system which is in operation since 20 years by the end of 2018. The digital system is capable for continuous wave (CW) operation and single cavity control. The server application uses the open source project ChimeraTK and its OPC-UA adapter, that is based on the open source project open62541. This allows to integrate the digital LLRF into the existing ELBE control and machine protection system, that is based on a Siemens PLC (S7) infrastructure. Furthermore, the OPC-UA adapter of ChimeraTK allows to implement different additional clients of the ChimeraTK server application, such as the ELBE human machine interface used by the operators (WinCC, SCADA) or expert panels (e.g. LabView or Python). The talk summarizes first results of the full integration test including LLRF controller optimization and amplitude and phase noise measurements. Furthermore, latest developments of the OPC-UA adapter and contributions to ChimeraTK are presented.

Keywords: ELBE; MicroTCA.4; LLRF; OPC UA; ChimeraTK

  • Lecture (others)
    7th MicroTCA Workshop for Industry and Research, 05.-06.12.2018, Hamburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28423
Publ.-Id: 28423


Development of a dedicated system for Scanning Transmission Helium Ion Microscopy

Serralta, E.; Klingner, N.; Hlawacek, G.

The helium ion microscope has already proven its value for high-resolution imaging, compositional analyses, nanofabrication, and materials modification. However, imaging in transmission mode remains not fully explored. A Gas Field Ion Source Microscope (GFISM) is being modified for studying scanning transmission helium ion images at the 10 to 30 keV energy range with a nanometer-sized probe. Employing a new position-sensitive and time-resolved detector will enable the exploration of several imaging modes, such as bright- and dark-field, channeling, and possibly diffraction. Ion-energy loss spectrometry (IELS) using time-of-flight can also be performed by combining an ultra-fast beam blanker system with time-resolved detection. Details about the setup and results of SRIM simulations revealing the properties of the transmitted particles will be presented.
This work has been supported by the H2020 Project npSCOPE under grant number 720964 and the FNR STHIM project under grant number 17748.

  • Lecture (Conference)
    Advances in Gas-Ion Microscopy - The Second International Meeting of The PicoFIB Network, 13.02.2019, London, United Kingdom

Permalink: https://www.hzdr.de/publications/Publ-28422
Publ.-Id: 28422


Preparation of animal irradiation experiments with laser-accelerated protons and pulsed high-field magnets

Brack, F.-E.; Kroll, F.; Metzkes, J.; Obst, L.; Kraft, S.; Schlenvoigt, H.-P.; Beyreuthe, E.; Karsch, L.; Pawelke, J.; Enghardt, W.; Zeil, K.; Schramm, U.

Laser-driven ion acceleration has been considered a potential alternative for conventional accelerators like cyclotrons or synchrotrons and thus could provide a more compact and cost-efficient particle therapy solution in the future. Instead of continuous ion beams, laser-driven ions exhibit fs to ps bunch length, carrying up to 1013 particles with broad energy spectrum and are highly divergent. Pulsed high-field magnets are a versatile and efficient way of shaping those bunches both spatially and spectrally for application, while preserving the short pulse lengths and high intensities leading to high dose rates when stopped in matter.
We performed experiments with the PW beam of the Dresden laser acceleration source Draco to investigate the feasibility of worldwide first controlled volumetric tumour irradiations with laser-accelerated protons. Therefore, a setup of up to two solenoid magnets was used to efficiently capture and shape the proton beam, matching the radiobiological demands, which was then analysed by means of a Thomson parabola spectrometer, scintillator, ionization chamber and radiochromic film.

  • Lecture (Conference)
    DPG Frühjahrstagung 2018, 19.-23.03.2018, Würzburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28421
Publ.-Id: 28421


Structural and magnetic susceptibility characterization of Pu(V) aqua ion using sonochemistry as a facile synthesis method

Dalodiere, E.; Virot, M.; Dumas, T.; Guillaumont, D.; Illy, M.; Berthon, C.; Guerin, L.; Rossberg, A.; Venault, L.; Moisy, P.; Nikitenko, S.

Since the past few years, Pu(V) has gained much attention due to its potential contribution to the environmental migration of actinides. However, the preparation of concentrated (up to mM) and pure Pu(V) solutions is quite difficult and often hindered by its great instability towards disproportionation, thus limiting the accessibility to physical and chemical property data. This work describes the rapid and facile sonochemical preparation of relatively stable Pu(V) solutions in the millimolar range free from the admixtures of the other oxidation states of plutonium. The mechanism deals with the sonochemical reduction of Pu(VI) in weakly acidic perchloric solutions by using the in situ generated H2O2, where the kinetics can be dramatically enhanced under high frequency ultrasound and an Ar/O2 atmosphere. The quasi-exclusive presence of the Pu(V) aqua ion in solution was evidenced by UV-vis absorption spectroscopy. The prepared solutions were found to be stable for more than one month which allowed the accurate XAFS and NMR investigations of Pu(V). EXAFS spectra revealed the presence of two trans dioxo Pu[double bond, length as m-dash]O bonds at 1.81 Å and 4–6 equatorial Pu–Oeq interactions at 2.47 Å characteristic of coordinated water molecules. The exact number of water molecules (N[Oeq(H2O)] = 4) was determined by simulating the EXAFS spectra of the PuO2+ aqua complexes using DFT calculations (geometry and the Debye–Waller factor) and comparing them with experimental signals. For the first time, the magnetic susceptibility of the pentavalent state of plutonium in aqueous solutions was also determined (χM = 16.3 × 10−9 m3 mol−1 at 25 °C) and the related Curie constant was estimated (C = 6.896 × 10−6 m3 K mol−1).

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Permalink: https://www.hzdr.de/publications/Publ-28420
Publ.-Id: 28420


First application studies at the laser-driven LIGHT beamline: Improving proton beam homogeneity and imaging of a solid target

Jahn, D.; Schumacher, D.; Brabetz, C.; Ding, J.; Weih, S.; Kroll, F.; Brack, F.-E.; Schramm, U.; Blažević, A.; Roth, M.

In the last two decades, the generation of intense ion beams based on laser-driven sources has become an extensively investigated field. The LIGHT collaboration combines a laser-driven intense ion source with conventional accelerator technology based on the expertise of laser, plasma and accelerator physicists. Our collaboration has installed a laser-driven multi-MeV ion beamline at the GSI Helmholtzzentrum für Schwerionenforschung delivering intense proton bunches in the subnanosecond regime. We investigate possible applications for this beamline, especially in this report we focus on the imaging capabilities. We report on our proton beam homogenization and on first imaging results of a solid target.

Keywords: Laser-driven ion acceleration; Laser-driven proton beam homogeneity; Proton imaging; LIGHT collaboration

  • Open Access Logo Contribution to proceedings
    3rd European Advanced Accelerator Concepts Workshop, 24.-28.09.2017, La Biodola, Isola d'Elba, Italien
    3rd European Advanced Accelerator Concepts workshop (EAAC2017)
    DOI: 10.1016/j.nima.2018.02.026

Permalink: https://www.hzdr.de/publications/Publ-28419
Publ.-Id: 28419


Heterogeneous modeling approach for gas-limited reactions in an inclined rotating fixed bed reactor

Timaeus, R.; Hampel, U.; Schubert, M.

A heterogeneous modeling approach for an inclined rotating fixed bed reactor with concentric internal tube is introduced. The novel reactor is designed to intensify the mass transfer of gas-limited heterogeneous catalyzed reactions by intermittent catalyst wetting, which is enabled exposing the packed bed to rotation and inclination. A simulation study for the hydrogenation of α-methylstyrene is presented. In particular, the influence of period length and different wetting-draining cycles on the space-time-yield of the reactor is analyzed.

Keywords: Inclined fixed bed; multiphase reactor; particle modeling; process intensification; reactor modeling

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  • Secondary publication expected

Permalink: https://www.hzdr.de/publications/Publ-28418
Publ.-Id: 28418


Inclined rotating fixed bed reactors – a process intensification concept for heterogeneous catalytic multiphase reactions

Timaeus, R.; Schubert, M.; Hampel, U.

The inclined rotating tubular fixed bed reactor has been introduced recently as a concept for the implementation of multiphase processes, in particular for heterogeneously catalysed gas-liquid reactions with mass transfer limitations.
Often, trickle bed reactors suffer from liquid maldistribution and low mass and heat transfer rates and have therefore been subject to process intensification. Periodic liquid flow rate modulation at the reactor inlet was introduced, which leads to elevated space-time-yields in comparison to the steady-state operation. However, the beneficial effects decay rapidly along the reactor length and maldistribution is not effectively counterbalanced.
To fully utilise the positive effects of such modulation strategy with the new reactor concept, the tubular reactor with the fixed catalyst packing is inclined against the vertical to establish a stratified flow. The superimposed continuous reactor rotation around the axis ensures a wetting intermittency via periodic immersion of the whole catalyst packing in the stratified liquid phase. Furthermore, it enables also tuning the liquid residence time at constant gas and liquid flow rates.
The wetting intermittency results in a complete utilization of the catalyst on the reactor scale and in periodically thinned liquid films at the catalyst surface, which enhances the accessibility of the gaseous reactants to the active sites. The latter is proven by an increased space-time-yield compared to conventional trickle bed reactor operation for the hydrogenation of α methylstyrene to cumene.
In this presentation, the performance of the new reactor concept will be assessed based on reactive studies. Furthermore, the results will be discussed with respect to the prevailing flow regimes investigated via gamma-ray computed tomography, as well as liquid residence time and axial dispersion obtained by a stimulus-response technique using embedded wire-mesh sensors.

Keywords: Inclined rotating fixed bed reactors; process intensification; innovative reactor concepts

  • Invited lecture (Conferences)
    International Congress of Chemical and Process Engineering (CHISA 2018), 26.08.2018, Prag, Tschechische Republik

Permalink: https://www.hzdr.de/publications/Publ-28417
Publ.-Id: 28417


Ultra-high-speed X-ray imaging of laser-driven shock into solid materials using synchrotron light

Olbinado, M. P.; Grenzer, J.; Rack, A.; de Resseguier, T.; Danilewsky, A.; Kraus, D.; Cowan, T.

A high-power, pulsed laser impacting the surface of a material can generate surface ablation, shock waves and crack propagation; while X-ray imaging can provide a time-resolved probe. Hard X-rays are perfectly suitable for visualizations of transient processes in optically opaque materials even for objects of several mm in size. The MHz pulsed time structure, tunable energy bandwidth, high brilliance, and the high degree of spatial coherence of hard X-rays (E > 30keV) from third generation synchrotron sources allowing transient processes to be tracked directly using ultra-high-speed image acquisition systems.
We report on an in-situ real time investigation of ns single-pulsed laser-driven processes studied by combined diffraction-direct-space-imaging experiments exploiting the single bunch structure at the hard X-ray imaging beam line ID19 of the ESRF investigating the process of laser hole drilling into single crystalline silicium.
Whereas macroscopic changes in bulk materials can be quite easily deduced from X-ray phase contrast imaging; information probing changes at the lattice level can be obtained using diffraction imaging. The whole process was followed for 120sec with a maximum frame rate of up to 100kHz.
We have developed an experimental methods that allow to synchronize on the ns level the single shot laser operation with the high speed camera system matching the 4- and 16-bunch structure of the ESRF.

Keywords: X-ray imaging laser

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

Permalink: https://www.hzdr.de/publications/Publ-28416
Publ.-Id: 28416


Computational modelling approach of an inclined rotating fixed bed reactor

Timaeus, R.; Schubert, M.; Hampel, U.

In the last decades several research groups investigated the dynamic operation of trickle bed reactors to intensify mass transfer-limited multiphase reactions. This process intensification strategy is realized via a cyclic flow rate modulation of the liquid phase, which results in a spatial and time-dependent liquid holdup in the catalytic fixed bed. Here, the variation of the liquid holdup causes an enhanced accessibility of the limited components to the catalyst, whereby a higher overall reaction rate is achieved. Although promising enhancements of the overall reaction rate in lab-scale trickle bed reactors were proved, the forced liquid cycling suffers from pulse attenuation along the reactor, thus the beneficial flow conditions mitigate at lower axial reactor positions (Atta et al., 2014).
Recently, an inclined rotating fixed bed reactor was developed, which ensures a permanent wetting intermittency of the catalyst within the stratified flow. The latter is caused by the reactor inclination. A twofold increase of the conversion for the α-methylstyrene hydrogenation was obtained, compared to the trickle bed operation, which highlights the potential of the new reactor concept (Härting et al., 2015).
In this contribution, a feasible hybrid model approach for the prediction of the space-time yield is proposed. The model consists of a three-dimensional two-phase Eulerian-Eulerian model and a heterogeneous continuum model to describe the hydrodynamics and the mass transfer and reaction phenomena, respectively. In this hybrid framework, the Eulerian-Eulerian model provides information about the wetting intermittency in terms of the dynamic holdup, which is incorporated in the heterogeneous continuum model by time-dependent boundary conditions at the particle scale.
The hydrodynamic model is based on a recently modified permeability approach with permeability coefficients of the gas phase depending on the flow pattern to approximate the solid-gas interactions of the phases (Subramanian et al., 2016). In this contribution different reactor geometries are studied and operated with α-methylstyrene, cumene and hydrogen. Additionally, the influence of the interfacial area density and the drag coefficient in the gas-liquid closure is examined via simulation studies.
The heterogeneous continuum model consists of a stationary reactor model considering the Danckwerts boundary conditions and of a transient particle model accounting for the intraparticle concentration gradients.
Eventually, the implemented hybrid model approach is applied for simulation studies to extend the knowledge of the new reactor concept and to support the optimal design and operation.

Keywords: Inclined rotating fixed bed reactors; process intensification; innovative reactor concepts

  • Lecture (Conference)
    International Congress of Chemical and Process Engineering (CHISA 2018), 27.08.2018, Prag, Tschechische Republik

Permalink: https://www.hzdr.de/publications/Publ-28415
Publ.-Id: 28415


Ultra-high-speed X-ray imaging of laser driven processes using synchrotron light

Grenzer, J.; Rack, A.; Olbinado, M. P.; de Resseguier, T.; Danilewsky, A.; Kraus, D.; Cowan, T.

Time-resolved in-situ or/and in-operando X-ray experiments open a very direct, natural way to study the formation and transformation of materials during relevant technological processes. High-brilliance, fs-pulsed X-rays generated by XFels demonstrate the highest temporal and spatial resolutions, but the maximum X-ray energy is currently limited to ~25 keV. Despite the possibility to illuminate macroscopic objects with large beams (~100mm2) synchrotron light sources produce X-rays pulses with much lower temporal resolution (~100ps), spatial coherence and brilliance but are able to reach X-ray energies higher than achieved at current FELs. MHz pulse repetition rates (ESRF:up to 5.6MHz in the 16 bunch mode) are characteristic to synchrotrons, allowing transient processes to be tracked using ultra-high-speed image acquisition systems with multiple frames, that are even able to visualize transient processes that are stochastic or a-periodic.
Here, we report on an in-situ real time investigation into high-power (>1J), ns single-pulsed (Nd:YAG, = 532 nm; pulse length ~10 ns) laser-driven irradiation processes leading either to surface ablation, crack propagation or shock generation [1] studied by a combined diffraction-direct-space-imaging experiment exploiting the single bunch structure. Whereas macroscopic changes (i.e. density changes or cracks) in bulk materials can be quite easily deduced from X-ray phase contrast imaging, information probing changes at the lattice level can be obtained using diffraction imaging.
As an example is in the figure shown such a combined experiment [2]: The first laser shot of an in-situ real-time laser hole-drilling experiment into a 0.50 mm thick Si (001) single crystalline wafer that was carried out for about 120sec. The sample was placed by about 45° with respect to the laser and the X-ray beam. Both beams intersect horizontally at the same height at an angle of 90° at the rotation center of the sample. The laser light was directed to the sample using a focusing lens. The synchronization of the cameras with laser and X-ray pulses are described in [1]. The X-ray beam fully illuminates the 10×10 mm2 wafer. The diffraction angle was tuned so that the Si (333) reflection in transmission geometry was recorded by the diffraction imaging detector.

Keywords: X-ray imaging laser

  • Lecture (Conference)
    XTOP 2018. XIV Biennial Conference of High Resolution X-ray Diffraction and Imaging, 03.-07.09.2018, Bari, Italy

Permalink: https://www.hzdr.de/publications/Publ-28414
Publ.-Id: 28414


Heterogeneous modeling approach for gas-limited reactions in an inclined rotating fixed bed reactor with stratified flow

Timaeus, R.; Schubert, M.; Hampel, U.

Mass transfer limitations in multiphase reactions are a widespread phenomenon in reaction engineering. Particularly in trickle bed reactors, space-time yield is limited due to the low accessibility of the gaseous educts to the solid catalyst. The inclined rotating fixed bed reactor is a new intensification strategy for trickle bed reactors to circumvent this bottleneck. The superposition of reactor inclination and rotation results in a stratified flow, which causes wetting intermittency of the catalytic fixed bed with alternatingly unhindered access of gas and liquid educts to the catalyst. The conversion for the α-methylstyrene hydrogenation has been doubled with the new reactor concept compared to the trickle bed operation, which highlights the potential of the process intensification strategy [1].
Within a DFG-funded project, a feasible model approach for the prediction of the space-time yield of the process intensification strategy is developed. In order to identify the most beneficial process windows and proper design parameters, a reactor model framework consisting of a two-phase Eulerian-Eulerian model and a heterogeneous continuum model to describe the hydrodynamics and to capture mass transfer and reaction phenomena, respectively, is proposed. In this contribution, the heterogeneous one-dimensional continuum model accounting for intraparticle gradients with time-dependent Neumann boundary conditions at particle scale is implemented. While the catalyst wetting intermittency leads to dynamic species concentrations at the particle scale, the species concentrations of the liquid bulk phase are stationary. Coupling of the different scales is realized by a two-way approach, using the species concentrations on each scale. The implemented model is applied for simulation studies considering the hydrogenation of α-methylstyrene to cumene in order to investigate the influence of period length via reactor rotation velocity and the wetting/draining cycle via flow stratification defined as split on the space-time yield.

Keywords: Inclined rotating fixed bed reactor; process intensification; modeling

  • Poster
    Jahrestreffen Reaktionstechnik 2018, 07.05.2018, Würzburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28413
Publ.-Id: 28413


Formation and evolution of porosity pattern in a potential host rock

Bollermann, T.

The major goal of the iCross project is to link experimental results and reactive transport modelling across scale to get a fundamental understanding of processes in the multi barrier system of a potential nuclear waste repository. This poster shows how the mapping of surface topography via vertical scanning interferometer results in quantitative information about the surface reactivity. Furthermore, it highlights how Positron emission tomography can be used to characterize transport patterns in geomaterials.

Keywords: iCross; analysis of surface reactivity; positron emission tomography

  • Poster
    KompOst Doktorandenseminar 2018, 13.12.2018, Zittau, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28412
Publ.-Id: 28412


Materials science: in-situ, in-operando, time-resolved

Grenzer, J.; Bähtz, C.; Rack, A.

The development of new materials is today closely related to the “creation” of new functional nano structures. Structural investigations are the key to establish a connection between the functional and structural properties generating these functions. This knowledge makes it possible to design new materials with precisely predetermined properties. The function of nano structures is not only determined by their internal structure, but in large part by their morphology and surface properties.

Time-resolved in-situ or/and in-operando X-ray experiments open a very direct, natural way to study the formation and transformation of materials during the relevant technological processes. The talk will build a bridge from classical material science problems, like the formation of 3-dimensional Germanium nano crystal arrays embedded in a dielectric matrix using synchrotron radiation, or the crystallization process during a rapid thermal annealing (RTA) of an amorphous GeSn thin film using a laboratory setup, to experiments exploiting a µsec-time resolution and even behind that.

For example, material processing by laser beams is a widely used technology in industry. Many applications, like the fabrication of thin solar cells, require a large area processing in short times with a limited heat exposure. Therefore time resolved studies of laser driven processes are again of great scientific interest. If thousand of frames are needed to follow the materials evolution on an atomic level the regular bunch structure of a synchrotron source turns out to be an ideal probe to sense changes in the morphology and crystal structure during and after a laser-sample(target) interaction.

Keywords: in-situ; time-resolved; synchrotron

  • Invited lecture (Conferences)
    EPDIC16 – The 16th European Powder Diffraction Conference, 01.-04.07.2018, Edinburgh, GB
  • Lecture (others)
    Materials science: in-situ, in-operando, time-resolved, 08.11.2018, Prag, CZ

Permalink: https://www.hzdr.de/publications/Publ-28411
Publ.-Id: 28411


Nanometer probing of ultrahigh intensity ultrashort pulse laser interaction with solid density plasmas, by SAXS using XFELs

Kluge, T.; Rödel, M.; Metzkes-Ng, J.; Pelka, A.; Laso Garcia, A.; Rehwald, M.; Prencipe, I.; Galtier, E.; Lee, H. J.; Glenzer, S.; Zeil, K.; Schramm, U.; Cowan, T. E.

Nanometer probing of ultrahigh intensity ultrashort pulse laser interaction with solid density plasmas, by SAXS using XFELs

  • Lecture (Conference)
    EUCALL Joint Foresight Topical Workshop: Theory and Simulation of Photon-Matter Interaction, 01.-05.07.2018, Szeged, Ungarn
    DOI: 10.5281/zenodo.1308068

Permalink: https://www.hzdr.de/publications/Publ-28410
Publ.-Id: 28410


3D Local Manipulation of the Metal-Insulator Transition Behavior in VO2 Thin Film by Defect-Induced Lattice Engineering

Jia, Q.; Grenzer, J.; He, H.; Anwand, W.; Ji, Y.; Yuan, Y.; Huang, K.; You, T.; Yu, W.; Ren, W.; Chen, X.; Liu, M.; Facsko, S.; Wang, X.; Ou, X.

The ability to manipulate the metal-insulator transition (MIT) of metal oxides is of critical importance for fundamental investigations of electron correlations and practical implementations of power efficient tunable electrical and optical devices. Most of the existing techniques including chemical doping and epitaxial strain modification can only modify the global transition temperature, while the capability to locally manipulate MIT is still lacking for developing highly integrated functional devices. Here, lattice engineering induced by the energetic noble gas ion allowing a 3D local manipulation of the MIT in VO2 films is demonstrated and a spatial resolution laterally within the micrometer scale is reached. Ion-induced open volume defects efficiently modify the lattice constants of VO2 and consequently reduce the MIT temperature continuously from 341 to 275 K. According to a density functional theory calculation, the effect of lattice constant variation reduces the phase change energy barrier and therefore triggers the MIT at a much lower temperature. VO2 films with multiple transitions in both in-plane and out-of-plane dimensions can be achieved by implantation through a shadow mask or multienergy implantation. Based on this method, temperature-controlled VO2 metasurface structure is demonstrated by tuning only locally the MIT behavior on the VO2 surfaces.

Keywords: Metal–insulator transition VO2

Permalink: https://www.hzdr.de/publications/Publ-28409
Publ.-Id: 28409


Laser-driven ion acceleration at the Draco PW laser

Obst, L.; Bernert, C.; Brack, F.; Branco, J.; Bussmann, M.; Cowan, T. E.; Garten, M.; Gaus, L.; Huebl, A.; Kluge, T.; Kraft, S. D.; Kroll, F.; Metzkes-Ng, J.; Rehwald, M.; Schlenvoigt, H.; Schramm, U.; Ziegler, T.; Zeil, K.

Presentation of past and ongoing campaigns aimed at the efficient generation of high energy proton beams at the Draco PW laser facility of Helmholtz-Zentrum Dresden - Rossendorf (HZDR).

  • Lecture (Conference)
    High-field laser-plasma interaction EPS DPP satellite workshop, 14.07.2018, Dolní Břežany, Tschechische Republik

Permalink: https://www.hzdr.de/publications/Publ-28408
Publ.-Id: 28408


Stress control of tensile-strained In1-xGaxP nanomechanical string resonators

Bueckle, M.; Hauber, V. C.; Cole, G. D.; Gaertner, C.; Zeimer, U.; Grenzer, J.; Weig, E. M.

We investigate the mechanical properties of freely suspended nanostrings fabricated from tensilestressed, crystalline In1-xGaxP. The intrinsic strain arises during epitaxial growth as a consequence of the lattice mismatch between the thin film and the substrate, and is confirmed by x-ray diffraction measurements. The flexural eigenfrequencies of the nanomechanical string resonators reveal an orientation dependent stress with a maximum value of 650 MPa. The angular dependence is explained by a combination of anisotropic Young's modulus and a change of elastic properties caused by defects. As a function of the crystal orientation, a stress variation of up to 50% is observed. This enables fine tuning of the tensile stress for any given Ga content x, which implies interesting prospects for the study of high Q nanomechanical systems.

Keywords: nanomechanical string resonators

Permalink: https://www.hzdr.de/publications/Publ-28407
Publ.-Id: 28407


Advances in indirect detector systems for ultra high-speed hard X-ray imaging with synchrotron light

Olbinado, M. P.; Grenzer, J.; Pradel, P.; de Resseguier, T.; Vagovic, P.; Zdora, M.-C.; Guzenko, V. A.; David, C.; Rack, A.

We report on indirect X-ray detector systems for various full-field, ultra high-speed X-ray imaging methodologies, such as X-ray phase-contrast radiography, diffraction topography, grating interferometry and speckle-based imaging performed at the hard X-ray imaging beamline ID19 of the European Synchrotron - ESRF. Our work highlights the versatility of indirect X-ray detectors to multiple goals such as single synchrotron pulse isolation, multiple-frame recording up to millions frames per second, high efficiency, and high spatial resolution. Besides the technical advancements, potential applications are briefly introduced and discussed.

Keywords: Inspection with x-rays; X-ray detectors; X-ray diffraction detectors

Permalink: https://www.hzdr.de/publications/Publ-28406
Publ.-Id: 28406


Einfluss der Rohrleitungsführung auf die Strömungsmorphologie in Feedleitungen von Destillationskolonnen

Döß, A.; Schubert, M.; Hampel, U.; Mehringer, C.; Geipel, C.

Keywords: Strömungsmorphologie; Feedleitung; Distillation; Gittersensor; TERESA

  • Lecture (Conference)
    Jahrestreffen der ProcessNet-Fachgruppen Fluidverfahrenstechnik und Membrantechnik 2019, 27.-29.03.2019, Potsdam, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-28405
Publ.-Id: 28405


MVT deposits

Gutzmer, J.

This presentation provides an overview of current concepts of MVT deposit formation. As an in-depth case study, MVT-style deposits in South Africa are used to illustrate variations to the common theme.

  • Invited lecture (Conferences)
    16th Freiberg Short Course in Economic Geology, 02.-06.12.2018, Freiberg, Germany

Permalink: https://www.hzdr.de/publications/Publ-28404
Publ.-Id: 28404


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