Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

"Online First" included
Without submitted and only approved publications
Only approved publications

34877 Publications

HZDR Multiphase Addon for OpenFOAM

Schlegel, F.; Draw, M.; Evdokimov, I.; Hänsch, S.; Khan, H.; Lehnigk, R.; Meller, R.; Petelin, G.; Tekavčič, M.

The HZDR multiphase addon contains additional code for the open-source CFD software OpenFOAM, released by The OpenFOAM Foundation. The developments are dedicated to the numerical simulation of multiphase flows, in particular to the multi-field two-fluid model (Euler-Euler method). Within the OpenFOAM library the multiphaseEulerFoam framework is used for this type of simulation. The addon contains a modified multiphaseEulerFoam named HZDRmultiphaseEulerFoam with the full support of the HZDR baseline model set for polydisperse bubbly flows according to Liao et al. (Chem Eng Sci, 2019, Vol. 202, 55-69). In addition a solver dedicated to a hybrid modelling approach (dispersed and resolved interfaces, Meller et al., Int J Numer Meth Fluids. 2020, 1-26) named cipsaMultiphaseEulerFoam is provided with the addon. This solver has an interface to the multiphaseEulerFoam framework and utilizes all available interfacial models of it.

General enhancements



  • morphology adaptive modeling framework for modelling of dispersed and resolved interfaces based on Eulerian multi-field two-fluid model
  • compact interpolation method according to Cubero et al. (Comput Chem Eng, 2014, Vol. 62, 96-107), including virtual mass
  • numerical drag according to Strubelj and Tiselj (Int J Numer Methods Eng, 2011, Vol. 85, 575-590) to describe resolved interfaces in a volume-of-fluid like manner
  • n-phase partial elimination algorithm for momentum equations to resolve strong phase coupling
  • free surface turbulence damping for k-ω SST (symmetric and asymmetric damping, Frederix et al., Nucl Eng Des, 2018, Vol. 333, 122-130)
  • selected tutorial cases:
    • a two-dimensional gas bubble, rising in a liquid, which is laden with micro gas bubbles, and
    • a two-dimensional stagnant stratification of water and oil, sharing a large-scale interface
    • a two-dimensional stratified flow based on the WENKA experiment (Stäbler, Ph.D. thesis, 2007)

Keywords: Multiphase Flow; Numerical Simulations; OpenFOAM; C++; CFD; Finite volume method; Baseline model; Multi-field two-fluid model; Eulerian-Eulerian model; Momentum interpolation; Partial elimination algorithm; Free Surface

  • Software in the HZDR data repository RODARE
    Publication date: 2021-01-26
    DOI: 10.14278/rodare.767
    License: GPL-3.0-only


Publ.-Id: 32194

Data from a pilot plant experiment for the processing of a complex tin skarn ore - 19.11.2018

Schach, E.; Padula, F.; Buchmann, M.; Möckel, R.; Ebert, D.; Pereira, L.; Kern, M.; Leißner, T.; Pashkevich, D.; Sousa, R.; Bremerstein, I.; Breuer, B.; Oliver, K.; Seltmann, R.; Reimer, W.; Wotruba, H.; Filippov, L.; Peuker, U.; Rudolph, M.; Broadbent, C.; Roscher, M.; van den Boogaart, K. G.

This data set derives from a pilot plant campaign for the beneficiation of a complex tin bearing skarn ore, including different separation and classification steps. The aim of the pilot plant test work was to prove a flowsheet that had been developed based on detailed geometallurgical analysis and results from the research projects AFK (Aufbereitung feinkörniger Komplexerze, BMBF grant number 033R128) and FAME (European Union grant 641650) to produce a cassiterite concentrate for tin production, and further preconcentrates for iron, zinc, copper, indium, and arsenic. The tin mineralization is partially well localized in cassiterite, but also partially finely disseminated and thus unrecoverable as minor components in other minerals. The iron is located in magnetic and nonmagnetic iron oxides sometimes intergrown with cassiterite. Therefore, iron concentrates are recovered at larger grain sizes but need a further tin recovery step not implemented in the reported experiment. The other elements are mainly deported in sulfides, which are bulk recovered in a flotation step. A subsequent selective flotation is needed to recover them individually. This selective flotation is, however, not part of the reported experiment. The two tin concentrates recovered from the shaking table should be considered as preconcentrates, that can be enriched further e.g. through multi-stage gravity separation.

The motivation for this data set is to provide a consistent basis for the application of new particle based geometallurgical methods enabled by automated mineralogy (e.g. Buchmann et al. 2018; Schach et al. 2019; Buchmann et al. 2020; Pereira et al. 2020).

In addition, it should also allow for the comparison and evaluation of different analytical methods, which were used during the pilot plant experiments to generate a validated data set for the whole plant and to correlate different result from various methods. This is the basis for further investigations enabling the application of various analyzing methods in a synergetic way. Those synergies can help in the future to compensate drawbacks of certain methods by an adequate combination of multiple approaches.

This repository includes raw data and processed data from November 19, 2018. The following data is included:

  • X-ray fluorescence spectroscopy (XRF)
  • X-ray diffraction (XRD)
  • Automated Mineralogy (MLA)
  • The balanced mass flows and element/mineral grades for the XRF- and the MLA data
  • External certified analysis including different inductive coupled plasma (ICP) and XRF methods from ALS
  • R scripts for the mass balance

Please find further information in the "supplementary information" file

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-06
    DOI: 10.14278/rodare.714
    License: CC-BY-4.0


Publ.-Id: 32180

In-situ Characterization of MoS2 Based Field Effect Transistors during Ion Irradiation

Hlawacek, G.; Fekri, Z.; Chava, P.; Erbe, A.

Here, in-situ Helium Ion Microscopy (HIM) has been used to electrically characterize single layer MoS 2
field effect transistors. These devices have been fabricated via chemical vapor deposition (CVD) and
transferred onto SiO 2 /Si(p ++ ) chips for EBL contacting and further characterization. The oxide thickness
is in the range of 200 nm to 300 nm.

Keywords: HIM; helium ion microscopy; MoS2; 2D materials

Publ.-Id: 32177

Petawatt Femtosecond Laser Pulses from Titanium-Doped Sapphire Crystal

Kiriyama, H.; Pirozhkov, A. S.; Nishiuchi, M.; Fukuda, Y.; Sagisaka, A.; Kon, A.; Miyasaka, Y.; Ogura, K.; Dover, N. P.; Kondo, K.; Sakaki, H.; Koga, J. K.; Esirkepov, T. Z.; Huang, K.; Nakanii, N.; Kando, M.; Kondo, K.; Bock, S.; Ziegler, T.; Püschel, T.; Zeil, K.; Schramm, U.

Ultra-high intensity femtosecond lasers have now become excellent scientific tools for the study of extreme material states in small-scale laboratory settings. The invention of chirped-pulse amplification (CPA) combined with titanium-doped sapphire (Ti:sapphire) crystals have enabled realization of such lasers. The pursuit of ultra-high intensity science and applications is driving worldwide development of new capabilities. A petawatt (PW = 1015 W), femtosecond (fs = 10−15 s), repetitive (0.1 Hz), high beam quality J-KAREN-P (Japan Kansai Advanced Relativistic ENgineering Petawatt) Ti:sapphire CPA laser has been recently constructed and used for accelerating charged particles (ions and electrons) and generating coherent and incoherent ultra-short-pulse, high-energy photon (X-ray) radiation. Ultra-high intensities of 1022 W/cm2 with high temporal contrast of 10−12 and a minimal number of pre-pulses on target has been demonstrated with the J-KAREN-P laser. Here, worldwide ultra-high intensity laser development is summarized, the output performance and spatiotemporal quality improvement of the J-KAREN-P laser are described, and some experimental results are briefly introduced.

Publ.-Id: 32175

Demonstration of repetitive energetic proton generation by ultra-intense laser interaction with a tape target

Dover, N. P.; Nishiuchia, M.; Sakaki, H.; Kondo, K.; Lowe, H. F.; Alkhimova, M. A.; Ditter, E. J.; Ettlinger, O. C.; Faenov, A. Y.; Hata, M.; Hicks, G. S.; Iwata, N.; Kiriyama, H.; Koga, J. K.; Miyahara, T.; Najmudin, Z.; Pikuz, T. A.; Pirozhkov, A. S.; Sagisaka, A.; Schramm, U.; Sentoku, Y.; Watanabe, Y.; Ziegler, T.; Zeil, K.; Kando, M.; Kondo, K.

High power laser systems are an attractive driver for compact energetic ion sources. We demonstrate repetitive
acceleration at 0.1 Hz of proton beams up to 40 MeV from a reeled tape target irradiated by ultra-high intensities
up to 5 × 1021 Wcm 2 and laser energies ≈ 15 J using the J-KAREN-P laser system. We investigate the stability
of the source and its behaviour with laser spot focal size. We compare the scaling of proton energy with laser
energy to a recently developed analytical model, and also demonstrate that it is possible to reach energies up to
50 MeV on a single shot with a lower laser energy ≈ 10 J by using a thinner target, motivating development of
high repetition targetry suitable for thinner targets.


  • Secondary publication expected from 21.06.2021

Publ.-Id: 32174

Dynamics of laser-driven heavy-ion acceleration clarified by ion charge states

Nishiuchi, M.; Dover, N.; Hata, M.; Sakaki, H.; Kondo, K.; Lowe, H.; Miyahara, T.; Kiriyama, H.; Koga, J.; Iwata, N.; Alkhimova, M.; Pirozhkov, A.; Faenov, A.; Pikuz, T.; Sagisaka, A.; Watanabe, Y.; Kando, M.; Ditter, E.; Ettlinger, O.; Hicks, G.; Najmudin, Z.; Ziegler, T.; Zeil, K.; Schramm, U.; Sentoku, Y.

Motivated by the development of next-generation heavy-ion sources, we have investigated the ionization and acceleration dynamics of an ultraintense laser-driven high-Z silver target, experimentally, numerically, and analytically. Using a novel ion measurement technique allowing us to uniquely identify silver ions, we experimentally demonstrate generation of highly charged silver ions (Z= 45+2−2 ) with energies of >20 MeV/nucleon (>2.2 GeV) from submicron silver targets driven by a laser with intensity 5 × 1021 W/cm 2 , with increasing ion energy and charge state for decreasing target thickness. We show that although target pre-expansion by the unavoidable rising edge of state-of-the-art high-power lasers can limit proton energies, it is advantageous for heavy-ion acceleration. Two-dimensional particle-in-cell simulations show that the Joule heating in the target bulk results in a high temperature (∼10 keV) solid density plasma, leading to the generation of high flux highly charged ions (Z= 40−2 +2, 10 MeV/nucleon) via electron collisional ionization, which are extracted and accelerated with a small divergence by an extreme sheath field at the target rear. However, with reduced target thickness this favorable acceleration is degraded due to the target deformation via laser hole boring, which accompanies higher energy ions with higher charge states but in an uncontrollable manner.
Our elucidation of the fundamental processes of high-intensity laser-driven ionization and ion acceleration provides a path for improving the control and parameters of laser-driven heavy-ion sources, a key component for next-generation heavy-ion accelerators.


Publ.-Id: 32173

High-Mobility Semiconducting Two-Dimensional Conjugated Covalent Organic Frameworks with p‑Type Doping

Wang, M.; Wang, M.; Lin, H.-H.; Ballabio, M.; Zhong, H.; Bonn, M.; Zhou, S.; Heine, T.; Canovas, E.; Dong, R.; Feng, X.

Two-dimensional conjugated covalent organic frameworks (2D c-COFs) are emerging as a unique class of semiconducting 2D conjugated polymers for (opto)electronics and energy storage. Doping is one of the common, reliable strategies to control the charge carrier transport properties, but the precise mechanism underlying COF doping has remained largely unexplored. Here we demonstrate molecular iodine doping of a metal−phthalocyanine-based pyrazine-linked 2D c-COF. The resultant 2D c-COF ZnPc-pz-I2 maintains its structural integrity and displays enhanced conductivity by 3 orders of magnitude, which is the result of elevated carrier concentrations. Remarkably, Hall effect measurements reveal enhanced carrier mobility reaching ∼22 cm2 V−1 s−1 for ZnPc-pz-I2, which represents a record value for 2D c-COFs in both the direct-current and alternatingcurrent limits. This unique transport phenomenon with largely increased mobility upon doping can be traced to increased scattering time for free charge carriers, indicating that scattering mechanisms limiting the mobility are mitigated by doping. Our work provides a guideline on how to assess doping effects in COFs and highlights the potential of 2D c-COFs to display high conductivities and mobilities toward novel (opto)electronic devices.

Publ.-Id: 32172

From research to clinical practice: a European neuroradiological survey on quantitative advanced MRI implementation

Manfrini, E.; Smits, M.; Thust, S.; Geiger, S.; Bendella, Z.; Petr, J.; Solymosi, L.; Keil, V. C.

Quantitative MRI (qMRI) methods provide versatile neuroradiological applications and are a hot topic in research. The degree of their clinical implementation is however barely known. This survey was created to illuminate which and how qMRI techniques are currently applied across Europe.

In total, 4753 neuroradiologists from 27 countries received an online questionnaire. Demographic and professional data, experience with qMRI techniques in the brain and head and neck, usage, reasons for/against application, and knowledge of the QIBA and EIBALL initiatives were assessed.

Two hundred seventy-two responders in 23 countries used the following techniques clinically (mean values in %): DWI (82.0%, n = 223), DSC (67.3%, n = 183), MRS (64.3%, n = 175), DCE (43.4%, n = 118), BOLD-fMRI (42.6%, n = 116), ASL (37.5%, n = 102), fat quantification (25.0%, n = 68), T2 mapping (16.9%, n = 46), T1 mapping (15.1%, n = 41), PET-MRI (11.8%, n = 32), IVIM (5.5%, n = 15), APT-CEST (4.8%, n = 13), and DKI (3.3%, n = 9). The most frequent usage indications for any qMRI technique were tissue differentiation (82.4%, n = 224) and oncological monitoring (72.8%, n = 198). Usage differed between countries, e.g. ASL: Germany (n = 13/63; 20.6%) vs. France (n = 31/40; 77.5%). Neuroradiologists endorsed the use of qMRI because of an improved diagnostic accuracy (89.3%, n = 243), but 50.0% (n = 136) are in need of better technology, 34.9% (n = 95) wish for more communication, and 31.3% need help with result interpretation/generation (n = 85). QIBA and EIBALL were not well known (12.5%, n = 34, and 11.0%, n = 30).

The clinical implementation of qMRI methods is highly variable. Beyond the aspect of readiness for clinical use, better availability of support and a wider dissemination of guidelines could catalyse a broader implementation.

Publ.-Id: 32171

Element-specific field-induced spin reorientation and tetracritical point in MnCr2S4

Yamamoto, S.; Suwa, H.; Kihara, T.; Nomura, T.; Kotani, Y.; Nakamura, T.; Scurschii, I.; Zherlitsyn, S.; Prodan, L.; Tsurkan, V.; Nojiri, H.; Loidl, A.; Wosnitza, J.

The ferrimagnetic spinel MnCr2S4 shows a variety of magnetic-field-induced phase transitions owing to bond frustration and strong spin-lattice coupling. However, the site-resolved magnetic properties at the respective field-induced phases in high magnetic fields remain elusive. Our soft x-ray magnetic circular dichroism studies up to 40 T directly evidence element-selective magnetic-moment reorientations in the field-induced phases. The complex magnetic structures are further supported by entropy changes extracted from magnetocaloric-effect measurements. Moreover, thermodynamic experiments reveal an unusual tetracritical point in the H-T phase diagram of MnCr2S4 due to strong spin-lattice coupling.


Publ.-Id: 32169

Die Wirkung von sorbierten redoxaktiven Spezies auf Aluminiumoxid-Nanopartikeln bei der Immobilisierung von Technetium

Füssel, T.

This bachelor thesis studies the reduction of Tc(VII) to Tc(IV) by Mn²⁺ and Sn²⁺ when they are sorbed on the surface of alumina nanoparticles (heteroreduction). Several experimental approaches have been carried out to analyse the heteroreduction of Tc(VII) as a function of pH and ionic strength. It was shown that Tc(VII) heteroreduction is quantitative (100% of Tc is removed) when using Sn sorbed on alumina, whereas a maximum of 25% of Tc(VII) is uptaken when using Mn sorbed on alumina.

Keywords: Technetium; Alumina; Heteroreduction; Immobilization

  • Bachelor thesis
    TU Dresden, 2020
    Mentor: Prof. Dr. Thorsten Stumpf and Dr. Natalia Mayordomo
    44 Seiten

Publ.-Id: 32162

Magnetic field-induced phase transitions in antiferromagnetic rings

Borysenko, Y. A.; Pylypovskyi, O.; Sheka, D.; Makarov, D.

An emerging field of curvilinear magnetizm brings about new geometry-induced phenomena in usual magnetic materials, balancing between fundamental research, material sciences and technologies [1]. Modern technological advances allow to consider antiferromagnets (AFMs) as promising building blocks for spintronic and spin-orbitronic applications [2]. In this respect, curvilinear spin chains with AFM coupling are of fundamental interest as simplest systems possessing interplay between geometry and magnetic subsystem.
Here, we analyze the ground states of AFM ring with the nearest-neighbour Heisenberg exchange and strong single-ion anisotropy in the presence of external magnetic field, which is normal to the ring plane. We consider collinear two-sublattice 1D curved AFM spin chain with even number of spins. The hard axis of anisotropy is oriented tangentially to the chain. Within the classical continuum approach [3], its magnetic state is determined by the vector fields of Néel and ferromagnetism. In the ground state, the Néel vector is oriented perpendicularly to the ring plane (binormal state, see Fig.1) [3,4]. The magnetic field applied along the ring normal allows to observe spin-flop and spin-flip orientational phase transitions. We determine the dependency of spin-flop and spin-flip transition fields on the ring curvature. There is a critical curvature (κc), separating two topologically different ground states above spin-flop. The first one with the Néel order parameter within the normal plane is mainly determined by the anisotropy at small curvatures (normal state, see Fig.1). The second ground state at large curvatures is represented by oninon ordering of the Néel vector (onion state, see Fig.1). With the applied fields h>h0, Néel order parameter vanishes (ferromagnetic state). The phase diagram of AFM as a function of applied field intensity is presented in Fig.1: all analytical predictions are well-confirmed by the SLaSi spin-lattice simulations [5].

1] E.Vedmedenko et al, Journal of Physics D: Applied Physics 53, 453001(2020).
[2] V. Baltz et al, Reviews of Modern Physics 90, 015005 (2018)
[3] O. V. Pylypovskyi et al, Nano Letters 20, 8157 (2020)
[4] S. Castillo-Sepulveda et al, Physical Review B 96, 024426 (2017)
[5] [SLaSi spin–lattice simulations package]

Keywords: antiferromagnetism; curvilinear magnetism

  • Lecture (Conference) (Online presentation)
    XI Conference of young scientists "Problems in Theoretical Physics", 21.-23.12.2020, Kyiv, Ukraine

Publ.-Id: 32160

The PSMA-11-derived hybrid molecule PSMA-914 specifically identifies prostate cancer by preoperative PET/CT and intraoperative fluorescence imaging

Eder, A.; Omrane, M.; Stadlbauer, S.; Roscher, M.; Khoder, W.; Gratzke, C.; Kopka, K.; Eder, M.; Meyer, P.; Jilg, C.; Ruf, J.

Resection of tumor tissue represents one of the standard curative treatment options for the clinical management of prostate cancer. However, intraoperative localization and precise delineation of malignant tissue from surrounding healthy structures still remain challenging. The development of PSMA-targeting hybrid molecules enabling the pre- and intraoperative detection of tumor tissue supported by both radioactivity (e.g., using DROP-IN technology) and fluorescence might help to overcome these limitations. Here, we report for the first time preoperative PET/CT imaging and subsequent fluorescence-guided surgery aided by a PSMA-11-derived peptidomimetic PSMA-targeting hybrid molecule.

Publ.-Id: 32159

Telemedicine pre and post COVID-19: Lessons for commercialization based on previous use cases

Ferenczi, G. L.; Mahmood, A.; Bergmann, R.

Telemedicine used to be slow, difficult, expensive and widely neglected by doctors and patients. COVID-19 changed everything; telemedicine is entering a period of rapid economic and business growth. This paper discusses the reasons for change in telemedicine over the last 20 years, through real-life medical technology projects, telemetry, ehealth and health IT. Our methods are based on the analysis of telemedicine projects we have implemented and characteristic historical data. The results of our investigation demonstrate a clear increase of significance in telemedicine in the present and near future. We envision the evolution of mobile phones to personal telehealth monitors. Prior to COVID-19, market penetration and economic factors of telemedicine evolved slowly and in an uneven manner on a global scale. Many of the projects remained active only as long as the grant or corporate or national support was provided. The age of novel globally spreading infectious diseases, exemplified by COVID-19, has created an unusual, different setting. Recent pandemics and epidemics have changed global economics significantly and generated a new motivation and a new market with a projected trillion- dollar market value. Post COVID-19, regular and periodic epidemics and pandemics are expected to continue to occur. This will generate an enormous global market for isolated high-tech services, including telemedicine and telemetry.

Keywords: COVID-19; telemedicine; health system; respiratory diagnostics; cardiology

  • Open Access Logo Journal of the International Society for Telemedicine and eHealth 8(2020), e8
    DOI: 10.29086/JISfTeH.8.e8

Publ.-Id: 32158

Particle Stiffness and Surface Topography Determine Macrophage‐Mediated Removal of Surface Adsorbed Particles

Lee, A.; Septiadi, D.; Taladriz-Blanco, P.; Almeida, M.; Haeni, L.; Spuch-Calvar, M.; Abdussalam, W.; Rothen-Rutishauser, B.; Petri-Fink, A.

Cellular surface recognition and behavior are driven by a host of physical and chemical features which have been exploited to influence particle–cell interactions. Mechanical and topographical cues define the physical milieu which plays an important role in defining a range of cellular activities such as material recognition, adhesion, and migration through cytoskeletal organization and signaling. In order to elucidate the effect of local mechanical and topographical features generated by the adsorption of particles to an underlying surface on primary human monocyte‐derived macrophages (MDM), a series of poly(N‐isopropylacrylamide) (pNIPAM) particles with differing rigidity are self‐assembled to form a defined particle‐decorated surface. Assembly of particle‐decorated surfaces is facilitated by modification of the underlying glass to possess a positive charge through functionalization using 3‐aminopropyltriethoxysilane (APTES) or coating with poly(L‐lysine) (PLL). MDMs are noted to preferentially remove particles with higher degrees of crosslinking (stiffer) than those with lower degrees of crosslinking (softer). Alterations to the surface density of particles enabled a greater area of the particle‐decorated surface to be cleared. Uniquely, the impact of particle adsorption is evinced to have a direct impact on topographical recognition of the surface, suggesting a novel approach for controllably affecting cell‐surface recognition and response.

Publ.-Id: 32157

Quantum disordered state in the J1-J2 square-lattice antiferromagnet Sr2Cu(Te0.95W0.05)O6

Yoon, S.; Lee, W.; Lee, S.; Park, J.; Lee, C. H.; Choi, Y. S.; Do, S.-H.; Choi, W.-J.; Chen, W.-T.; Chou, F.; Gorbunov, D.; Oshima, Y.; Ali, A.; Singh, Y.; Berlie, A.; Watanabe, I.; Choi, K.-W.

The B-site ordered double perovskites Sr2Cu(Te1−xWx)O6 provide an excellent arena for investigating exotic phases expected for the J1-J2 square-lattice Heisenberg antiferromagnet. Here, combining magnetic susceptibility and specific-heat measurements with electron spin resonance (ESR) and muon spin rotation/relaxation (μSR) techniques, we explore a spin-liquid-like state in the vicinity of the Néel critical end point (x = 0.05–0.1). The specific heat and the ESR and muon relaxation rates give evidence for an energy hierarchy of low-energy excitations, reminiscent of randomness-induced singlet states. In addition, the weak transverse μSR data show a fraction of frozen magnetic moments in the random-singlet background. The origin of a random-singlet-like state near the phase boundary is discussed in terms of concomitant exchange randomness and local strain generated by the W6+-for-Te6+ substitution.

Publ.-Id: 32156

Emergence of Frustrated Short-Range Order above Long-Range Order in the S = 1/2 Kagome Antiferromagnet CaCu3(OD)6Cl2·0.6D2O

Ihara, Y.; Matsui, K.; Kohama, Y.; Luther, S.; Opherden, D.; Wosnitza, J.; Kühne, H.; Yoshida, H. K.

We report on the low-energy dynamics in the kagome antiferromagnet CaCu3(OD)6Cl2·0.6D2O (Ca-kapellasite) as studied by use of 2D-NMR measurements. Previous 35Cl-NMR measurements revealed that the nuclear spin–lattice relaxation rate (1/T1) shows two peaks at temperatures, T* = 7.2 K and Ts ≃ 25 K. While the low-temperature peak at T* is ascribed to the critical fluctuations near the long-range magnetic ordering, the origin of the high-temperature peak has not been fully understood. From the 1/T1 measurements on the D sites at the OD groups (DOD), we find no peak at Ts, evidencing that the high-temperature peak is not related to the molecular dynamics of the OD groups. We discuss the possibility of a frustration-induced short-range ordered state below Ts before the long-range order is stabilized by the Dzyaloshinskii–Moriya interaction. We also observed static internal fields at the DOD site in the long-range ordered state below T*, and confirm the previously proposed negative-chirality q = 0 magnetic structure.

Publ.-Id: 32155

A new prognostic hypoxia biomarker consisting of imaging and gene-based data.

Thomas, E.; Krause, M.

In the research article of EBioMedicine [1], Fjeldbo and colleagues developed a combined biomarker based on hypoxic fraction from dynamic contrast enhanced (DCE)-MRI imaging and genetic data of cervical cancer. They were able to predict the response to radiochemotherapy of these patients. The patients were divided into groups less or more hypoxic, based on a previously defines cut-off for the gene-based biomarkers (6 hypoxia-related genes) [2]. In the same group of 41 patients, a cut-off for the imaging biomarker was newly assessed by analyzing DCE-MRI data and using ABrix-images as parameter for the hypoxic fraction. In the next step these cut-offs were validated in 77 patients and subsequently a combined hypoxic biomarker was generated. The combination of the biomarkers revealed the same hypoxic status in 75% of the 118 patients. Therefore, besides the more and less hypoxic group, a third group with different hypoxia status was constituted.

Publ.-Id: 32154

First application of a high-resolution silicon detector for proton beam Bragg peak detection in a 0.95 T magnetic field

Causer, T. J.; Schellhammer, S.; Gantz, S.; Lühr, A.; Hoffmann, A. L.; Metcalfe, P. E.; Rosenfeld, A. B.; Guatelli, S.; Petasecca, M.; Oborn, B. M.

Purpose: To report on experimental results of a high spatial resolution silicon-based detector exposed to therapeutic quality proton beams in a 0.95 T transverse magnetic field. These experimental results are important for the development of accurate and novel dosimetry methods in future potential real-time MRI-guided proton therapy systems.
Methods: A permanent magnet device was utilized to generate a 0.95 T magnetic field over a 4 9 20 9 15 cm3 volume. Within this volume, a high-resolution silicon diode array detector was positioned inside a PMMA phantom of 4 9 15 9 12 cm3. This detector contains two orthogonal strips containing 505 sensitive volumes spaced at 0.2 mm apart. Proton beams collimated to a circle of 10 mm diameter with nominal energies of 90 MeV, 110 MeV, and 125 MeV were incident on the detector from an edge-on orientation. This allows for a measurement of the Bragg peak at 0.2 mm spatial resolution in both the depth and lateral profile directions. The impact of the magnetic field on the proton beams, that is, a small deflection was also investigated. A Geant4 Monte Carlo simulation was performed of the experimental setup to aid in interpretation of the results.
Results: The nominal Bragg peak for each proton energy was successfully observed with a 0.2 mm spatial resolution in the 0.95 T transverse magnetic field in both a depth and lateral profiles. The proton beam deflection (at 0.95 T) was a consistent 2 +-0.5 mm at the center of the magnetic volume for each beam energy. However, a pristine Bragg peak was not observed for each energy. This was caused by the detector packaging having small air gaps between layers of the phantom material surrounding the diode array. These air gaps act to degrade the shape of the Bragg peak, and further to this, the nonwater equivalent silicon chip acts to separate the Bragg peak into multiple peaks depending on the proton path taken. Overall, a promising performance of the silicon detector array was observed, however, with a qualitative assessment rather than a robust quantitative dosimetric evaluation at this stage of development.
Conclusions: For the first time, a high-resolution silicon-based radiation detector has been used to measure proton beam Bragg peak deflections in a phantom due to a strong magnetic field. Future efforts are required to optimize the detector packaging to strengthen the robustness of the dosimetric quantities obtained from the detector. Such high-resolution silicon diode arrays may be useful in future efforts in MRI-guided proton therapy research.

Keywords: magnetic deflection; magnetic field; MRI-guided proton therapy; proton beam; silicon detectors

Publ.-Id: 32152

Radiotherapy and COVID-19-everything under control or just the start of a long story?

Nestle, U.; Krause, M.

This pandemic is an imposition! We all are exhausted by repeated discussions on the current situation. Would like to be “back to normal”—whatever that might be—very soon.
Unfortunately, this is still a dream and we are in the middle of the corona reality. Almost forgotten: the initial panic that radiooncology could no longer operate according to law under pandemic conditions was quickly and effectively countered by an unprecedented concerted response from the authorities.
Then we had all these practical questions: How to deal with potentially limited personnel resources? How to treat potentially infected patients in routine care? To this end, at a very early stage, the German Society for Radiooncology (DEGRO), together with the Working Group for Radiooncology (ARO) of the German Cancer Society and the National Association of German Radiotherapists (BVDST), compiled two helpful statements and recommendations [1–3].
At a previously unimagined speed, we then dealt with hygiene concepts, made friends with hypofractionation, optimized our workflow, discussed home office solutions, formed staff groups, and reorganized the aftercare outpatient clinics. In their interesting survey in this issue, Matuschek et al. report on how well all this has worked out [4]. Overall, in Germany, only a relatively small number of COVID-positive patients have had to be treated by radiotherapy so far. We will see how the situation will develop during the remainder of this year. At least we are very well prepared—both with concepts and organizational skills—for higher infection rates.

Publ.-Id: 32151

3D Cell Culture-Based Global miRNA Expression Analysis Reveals miR-142-5p as a Theranostic Biomarker of Rectal Cancer Following Neoadjuvant Long-Course Treatment.

Kunigenas, L.; Stankevicius, V.; Dulskas, A.; Budginaite, E.; Alzbutas, G.; Stratilatovas, E.; Cordes, N.; Suziedelis, K.

Altered expression of miRNAs in tumor tissue encourages the translation of this specific
molecular pattern into clinical practice. However, the establishment of a selective biomarker signature
for many tumor types remains an inextricable challenge. For this purpose, a preclinical experimental
design, which could maintain a fast and sensitive discovery of potential biomarkers, is in demand.
The present study suggests that the approach of 3D cell cultures as a preclinical cancer model that is
characterized to mimic a natural tumor environment maintained in solid tumors could successfully
be employed for the biomarker discovery and validation. Subsequently, in this study, we investigated
an environment-dependent miRNA expression changes in colorectal adenocarcinoma DLD1 and
HT29 cell lines using next-generation sequencing (NGS) technology. We detected a subset of 16
miRNAs differentially expressed in both cell lines cultivated in multicellular spheroids compared to
expression levels in cells grown in 2D. Furthermore, results of in silico miRNA target analysis showed
that miRNAs, which were differentially expressed in both cell lines grown in MCS, are involved in the
regulation of molecular mechanisms implicated in cell adhesion, cell-ECM interaction, and gap junction
pathways. In addition, integrins and platelet-derived growth factor receptors were determined
to be the most significant target genes of deregulated miRNAs, which was concordant with the
environment-dependent gene expression changes validated by RT-qPCR. Our results revealed that
3D microenvironment-dependent deregulation of miRNA expression in CRC cells potentially triggers
essential molecular mechanisms predominantly including the regulation of cell adhesion, cell–cell,
and cell–ECM interactions important in CRC initiation and development. Finally, we demonstrated
increased levels of selected miR-142-5p in rectum tumor tissue samples after neoadjuvant long course
treatment compared to miR-142-5p expression levels in tumor biopsy samples collected before the
therapy. Remarkably, the elevation of miR-142-5p expression remained in tumor samples compared
to adjacent normal rectum tissue as well. Therefore, the current study provides valuable insights
into the molecular miRNA machinery of CRC and proposes a potential miRNA signature for the
assessment of CRC in further clinical research.

Keywords: colorectal carcinoma; rectal cancer; 3D cell culture; miRNA; tumor microenvironment; cell adhesion; cancer biomarkers; neoadjuvant therapy; miR-142

Publ.-Id: 32150

Comparison of GeneChip, nCounter, and Real-Time PCR-Based Gene Expressions Predicting Locoregional Tumor Control after Primary and Postoperative Radiochemotherapy in Head and Neck Squamous Cell Carcinoma

Schmidt, S.; Linge, A.; Grosser, M.; Lohaus, F.; Gudziol, V.; Nowak, A.; Tinhofer, I.; Budach, V.; Sak, A.; Stuschke, M.; Balermpas, P.; Rödel, C.; Schäfer, H.; Grosu, A. L.; Abdollahi, A.; Debus, J.; Ganswindt, U.; Belka, C.; Pigorsch, S.; Combs, S. E.; Mönnich, D.; Zips, D.; Baretton, G. B.; Buchholz, F.; Baumann, M.; Krause, M.; Löck, S.

This article compares the expression and applicability of biomarkers, from single genes and gene signatures, identified in patients with locally advanced head and neck squamous cell carcinoma using the GeneChip Human Transcriptome Array 2.0, nCounter, and real-time PCR analyses. Two multicenter, retrospective cohorts of patients with head and neck squamous cell carcinoma from the German Cancer Consortium Radiation Oncology Group who received postoperative radiochemotherapy or primary radiochemotherapy were considered. Real-time PCR was performed for a limited number of 38 genes of the cohort who received postoperative radiochemotherapy only. Correlations between the methods were evaluated by the Spearman rank correlation coefficient. Patients were stratified based on the expression of putative cancer stem cell markers, hypoxia-associated gene signatures, and a previously developed seven-gene signature. Locoregional tumor control was compared between these patient subgroups using log-rank tests. Gene expressions obtained from nCounter analyses were moderately correlated to GeneChip analyses (median r Z approximately 0.68). A higher correlation was obtained between nCounter analyses and real-time PCR (median r Z 0.84). Significant associations with locoregional tumor control were observed for most of the considered biomarkers evaluated by GeneChip and nCounter analyses. In general, all applied biomarkers (single genes and gene signatures) classified approximately 70% to 85% of the patients similarly. Overall, gene signatures seem to be more robust and had a better transferability among different measurement methods.

Publ.-Id: 32149

The Role of lncRNAs TAPIR-1 and -2 as Diagnostic Markers and Potential Therapeutic Targets in Prostate Cancer

Friedrich, M.; Wiedemann, K.; Reiche, K.; Puppel, S. H.; Pfeifer, G.; Zipfel, I.; Binder, S.; Köhl, U.; Müller, G. A.; Engeland, K.; Aigner, A.; Füssel, S.; Fröhner, M.; Peitzsch, C.; Dubrovska, A.; Rade, M.; Christ, S.; Schreiber, S.; Hackermüller, J.; Lehmann, J.; Toma, M. I.; Muders, M. H.; Sommer, U.; Baretton, G. B.; Wirth, M.; Horn, F.

In search of new biomarkers suitable for the diagnosis and treatment of prostate cancer, genome-wide transcriptome sequencing was carried out with tissue specimens from 40 prostate cancer (PCa) and 8 benign prostate hyperplasia patients. We identified two intergenic long non-coding transcripts, located in close genomic proximity, which are highly expressed in PCa. Microarray studies on a larger cohort comprising 155 patients showed a profound diagnostic potential of these transcripts (AUC~0.94), which we designated as tumor associated prostate cancer increased lncRNA (TAPIR-1 and -2). To test their therapeutic potential, knockdown experiments with siRNA were carried out. The knockdown caused an increase in the p53/TP53 tumor suppressor protein level followed by downregulation of a large number of cell cycle- and DNA-damage repair key regulators. Furthermore, in radiation therapy resistant tumor cells, the knockdown leads to a renewed sensitization of these cells to radiation treatment. Accordingly, in a preclinical PCa xenograft model in mice, the systemic application of nanoparticles loaded with siRNA targeting TAPIR-1 significantly reduced tumor growth. These findings point to a crucial role of TAPIR-1 and -2 in PCa.

Keywords: lncRNA; prostate cancer; diagnostic marker; therapeutic target; p53; cell cycle arrest; radiation resistance

Publ.-Id: 32148

Research data: THz-driven structural phase transition in a hybrid perovskite

Deinert, J.-C.; Kovalev, S.

Research data for the May 2020 beamtime on "THz-driven structural phase transition in a hybrid perovskite".

PI: Heejae Kim, MPI for polymer research, Mainz.

Keywords: Terahertz; Phase transition; Perovskite; field-driven; 2D-spectroscopy; ultrafast

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-22
    DOI: 10.14278/rodare.756


Publ.-Id: 32146

Data for: "A metabolic switch regulates the transition between growth and diapause in C. elegans"

Penkov, S.; Raghuraman, B.; Erkut, C.; Oertel, J.; Galli, R.; Ackerman, E.; Vorkel, D.; Verbavatz, J.; Koch, E.; Fahmy, K.; Shevchenko, A.; Kurzchalia, T.

calorimetry data in excel format

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-23
    DOI: 10.14278/rodare.759
    License: CC-BY-4.0


Publ.-Id: 32145

Research data: Non-perturbative high-harmonic generation in the three-dimensional Dirac semimetal Cd₃As₂

Wang, Z.; Kovalev, S.; Deinert, J.-C.

Reserach data for Publication: Non-perturbative high-harmonic generation in the three-dimensional Dirac semimetal Cd₃As₂

DOI: 10.1038/s41467-020-16133-8

Keywords: Terahertz; high harmonics; Dirac material; carrier dynamics; ultrafast

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-31
    DOI: 10.14278/rodare.728


Publ.-Id: 32144

Freezing of molecular rotation in a paramagnetic crystal studied by 31P NMR

Opherden, D.; Bärtl, F.; Yamamoto, S.; Zhang, Z. T.; Luther, S.; Molatta, S.; Wosnitza, J.; Baenitz, M.; Heinmaa, I.; Stern, R.; Landee, C. P.; Kühne, H.

We present a detailed 31P nuclear magnetic resonance (NMR) study of the molecular rotation in the compound [Cu(pz)2(2-HOpy)](PF6)2, where pz = C4H4N2 and 2-HOpy = C5H4NHO. Here, a freezing of the PF6 rotation modes is revealed by several steplike increases of the temperature-dependent second spectral moment, with accompanying broad peaks of the longitudinal and transverse nuclear spin-relaxation rates. An analysis based on the Bloembergen-Purcell-Pound (BPP) theory quantifies the related activation energies as Ea/kB = 250 and 1400 K. Further, the anisotropy of the second spectral moment of the 31P absorption line was calculated for the rigid lattice, as well as in the presence of several sets of PF6 reorientation modes, and is in excellent agreement with the experimental data. Whereas the anisotropy of the frequency shift and enhancement of nuclear spinrelaxation rates is driven by the molecular rotation with respect to the dipole fields stemming from the Cu ions, the second spectral moment is determined by the intramolecular interaction of nuclear 19F and 31P moments in the presence of the distinct rotation modes.


Publ.-Id: 32143

Methane as a novel doping precursor for deposition of highly conductive ZnO thin films by magnetron sputtering

Vasin, A. V.; Rusavsky, A. V.; Bortchagovsky, E. G.; Gomeniuk, Y. V.; Nikolenko, A. S.; Strelchuk, V. V.; Yatskiv, R.; Tiagulskyi, S.; Prucnal, S.; Skorupa, W.; Nazarov, A. N.

ZnO thin films were deposited by RF-magnetron sputtering of ZnO powder target using pure argon and argon with methane as reactive gas. It is found that growth morphology and electronic properties of the films are strongly affected by adding of methane to argon during the deposition process. Adding of methane resulted in a high energy shift of near band edge ultraviolet photoluminescence band and quenching of deep level emission in the visible spectral range. The strongest effect of methane has been found for electrical resistivity that reduced by 3 orders of magnitude in comparison with films deposited in pure argon. Unexpectedly, the analysis of the chemical composition showed no carbon incorporated from methane. Therefore, modification effects were assigned to hydrogen incorporation. However, the direct comparison of resistivity of the films deposited using methane and molecular hydrogen as doping precursors has demonstrated that doping efficiency of the methane is about an order of magnitude larger than that of molecular hydrogen under similar deposition conditions. This advantage of the methane is discussed and assigned to specific surface chemistry of Zn–O–C–H system that enhances the formation of shallow donor defects during plasma assisted deposition process.

Keywords: ZnO; doping; photoluminescence

Publ.-Id: 32142

Current Transport Mechanisms in Zinc Oxide/Silicon Carbide Heterojunction Light‐Emitting Diodes

Przezdziecka, E.; Chusnutdinow, S.; Wierzbicka, A.; Guziewicz, M.; Prucnal, S.; Stachowicz, M.; Zaleszczyk, W.; Zhou, S.; Kozanecki, A.

Herein, the properties of ZnO:N/n‐SiC heterojunctions (HJs) and light‐emitting diodes based on them are studied. The HJs are grown by molecular beam epitaxy. Active nitrogen generated by a radio frequency plasma source is used for p‐type doping. The location of the space charge area on the ZnO:N/n‐SiC interface is revealed by electron‐beam‐induced current (EBIC) scans. The diffusion lengths of holes and electrons are calculated. This article presents the characterization of ZnO:N/n‐SiC HJs and reveals the presence of tunneling‐related current transport in them as well as the contribution of exponentially distributed traps at large voltage bias. Electroluminescence (EL) is measured at ambient pressure by a standard EL system and also at 77 K in vacuum by a system utilizing EBIC in a scanning electron microscope. Analysis of the light output power at higher current level indicates the limited effect of nonradiative defects in this structure. EL results are compared with cathodoluminescence spectra. Color temperature for HJs based on the EL spectra is also calculated.

Keywords: ZnO; doping; p-n diode; electroluminescence

Publ.-Id: 32141

Soft X-ray absorption study of tantalum incorporation in titanium oxide films: Impact of flash-lamp annealing

Gago, R.; Prucnal, S.; Esteban-Mendoza, D.

The impact of Ta incorporation (up to similar to 21 at.%) in titanium dioxide (TiO2) films subjected to post-deposition millisecond-range flash-lamp annealing (FLA) is addressed. Phase formation with short-range information was established by means of soft X-ray absorption near-edge structure (XANES) in combination with standard X-ray diffraction. As-grown films are X-ray amorphous, but display a significant structural improvement upon FLA. Up to relatively large Ta concentrations (similar to 12 at.%), FLA can be used to effectively incorporate Ta into a nano-crystalline anatase TiO2 phase, although its structural quality deteriorates progressively with the Ta content. For the intermediate Ta range between 12 and 17 at.%, the structure of the FLA films is highly disordered, being unable to overcome the initial distorted arrangement. In any case, rutile- or Ta2O5-like environments emerge for low and high contents, respectively. Finally, for the highest Ta content (similar to 21 at.%), the formation of good-quality nanocrystalline Ta2O5 phase occurs after FLA. As assessed by XANES, the structural evolution upon FLA seems to be determined by the initial (amorphous) structure. Lastly, all the samples are highly transparent from the visible to the near-infrared region, and the band-gap can be tailored from similar to 3.2 to similar to 3.8 eV with increasing the amount of incorporated Ta.

Keywords: Oxide materials; Doping; Sputter deposition; Flash-lamp-annealing; XANES; Band-gap engineering

Publ.-Id: 32140

Kinetics of Bulk Lifetime Degradation in Float-Zone Silicon: Fast Activation and Annihilation of Grown-In Defects and the Role of Hydrogen versus Light

Hiller, D.; Markevich, V. P.; de Guzman, J. A. T.; König, D.; Prucnal, Slawomir; Bock, W.; Julin, J.; Peaker, A. R.; Macdonald, D.; Grant, N. E.; Murphy, J. D.

Float‐zone (FZ) silicon often has grown‐in defects that are thermally activated in a broad temperature window (≈300–800 °C). These defects cause efficient electron‐hole pair recombination, which deteriorates the bulk minority carrier lifetime and thereby possible photovoltaic conversion efficiencies. Little is known so far about these defects which are possibly Si‐vacancy/nitrogen‐related (VxNy). Herein, it is shown that the defect activation takes place on sub‐second timescales, as does the destruction of the defects at higher temperatures. Complete defect annihilation, however, is not achieved until nitrogen impurities are effused from the wafer, as confirmed by secondary ion mass spectrometry. Hydrogenation experiments reveal the temporary and only partial passivation of recombination centers. In combination with deep‐level transient spectroscopy, at least two possible defect states are revealed, only one of which interacts with H. With the help of density functional theory V1N1‐centers, which induce Si dangling bonds (DBs), are proposed as one possible defect candidate. Such DBs can be passivated by H. The associated formation energy, as well as their sensitivity to light‐induced free carriers, is consistent with the experimental results. These results are anticipated to contribute to a deeper understanding of bulk‐Si defects, which are pivotal for the mitigation of solar cell degradation processes.

Keywords: Solar cells; Si; doping; defects

Publ.-Id: 32139

Correlations between the structural transformations and concentration quenching effect for RE-implanted ZnO systems

Ratajczak, R.; Mieszczynski, C.; Prucnal, S.; Krajewski, T. A.; Guziewicz, E.; Wozniak, W.; Kopalko, K.; Heller, R.; Akhmadaliev, S.

In this paper, we present optical, structural and electrical studies of the phenomenon called concentration quenching effect occurring in ZnO doped with Rare Earth (RE) ions. For this purpose, the epitaxial ZnO layers grown by the Atomic Layer Deposition (ALD) are doped by ion implantation with Yb and Er elements with fluencies ranging from 5 × 1013 to 1 × 1016/cm2. In order to activate optically the implanted RE and to remove defects, the post-implantation thermal annealing was performed at 800 °C for 10 min in the O2 atmosphere using a Rapid Thermal Annealing (RTA) system. Two-step processed samples, before and after annealing, were evaluated by Rutherford Backscattering Spectrometry (RBS/c) to investigate the damage build-up process in the ZnO lattice after RE ion bombardment and the lattice site location of RE. The annealed samples were examined using the photoluminescence (PL) spectroscopy and Hall effect measurements. Our studies show that the luminescence quenching effect, as well as the electrical resistivity response to the increased RE concentration, are strongly connected with the threshold of the structural transformation due to defects accumulation. It suggests that during structural transformations the RE-ion centers are sufficiently close together to be able to interact and transfer the excitation energy between each other, increasing ipso facto the probability to lose the excitation energy by non-radiative processes. Moreover, in contrast to the popular belief, that the concentration quenching effect in RE-doped ZnO depends strongly on the kind of RE-doped ion, the presented results do not provide any evidence to support such an assumption.

Keywords: Rare earth; Ytterbium; Ion Implantation; Rutherford Backscattering Spectrometry (RBS/c); Erbium

Publ.-Id: 32138

Pushing the doping limit for future FETs

Zhou, S.

In recent years, small-sized transistors including FinFETs or Nanowire FETs (or Gate-all-around FETs) have been manufactured to reduce the voltage and power consumption of devices. When CMOS transistors are scaled down below the 10 nm technology node, the effect of contact resistance on power consumption increases because the contact area decreases for smaller transistors. For nodes of <7 nm, the metal–semiconductor contact resistance become a dominant contributor to the total parasitic resistances of the transistor [1, 2]. To solve the problem, n- or p-type impurities were introduced at the alloy concentration in Si and SiGe [1, 2]. However, due to the self-compensation via defect complexes at high impurity concentration, the free carrier concentration saturates. In this talk, I will discuss our approaches to tackle this challenge. One is the use of deep level impurities for doping Si, for instance, chalcogen Te [3]. Contrary to general expectations, we find that with increasing Te doping concentration its interstitial fraction decreases and substitutional Te dimers become the dominant configuration. As shown by first-principle calculations, these Te dimers have the lowest formation energy and donate two electrons each to the conduction band. Another approach is to play with different annealing time scale. We find that by millisecond flash lamp annealing the dead P-dopants can be deliberated [4, 5]. Positron lifetime measurements indicate the dissolving of single vacancies. Therefore, we trace the origin of the unprecedented electron concentrations in Si and in Ge to the atomistic scale. Our results have fundamental implications in semiconductor physics as well as to the source/drain applications for future FETs.
[1] Z. Ye, et al., Applied Materials, ECS Trans. 98, 239 (2020).
[2] G. Rengo, et al., IMEC, ECS Trans. 98, 27 (2020).
[3] M. Wang, et al., Phys. Rev. Appl. 11, 054039 (2019), arXiv:1809.06055
[4] S. Prucnal, et al., Phys. Rev. Appl. 10, 064055 (2018), arXiv:1901.01721
[5] S. Prucnal, et al., New J. Phys., in press (2020).

  • Invited lecture (Conferences)
    International Virtual School on Ion Beams in Materials Science, 01.-05.12.2020, New Delhi, India

Publ.-Id: 32136

Ansible GitLab Base Role

Hüser, C.; Ziegner, N.; Huste, T.

This Ansible Role provides a basic setup for services based on GitLab Omnibus.

Keywords: gitlab; ansible

  • Software in external data repository
    Publication year 2020
    Programming language: Ansible
    System requirements: Centos, Ubuntu
    License: Apache-2.0 (Link to license text)
    Hosted on Link to location

Publ.-Id: 32133

Ansible Role Redis

Hüser, C.; Ziegner, N.; Huste, T.

An Ansible role to set up multiple Redis instances to be used as caching servers in a High Availability and Scalability context.

Keywords: redis; ansible; cache; high availability

  • Software in external data repository
    Publication year 2020
    Programming language: Ansible
    System requirements: Ubuntu
    License: Apache-2.0 (Link to license text)
    Hosted on Link to location

Publ.-Id: 32132

Ansible Role HAProxy

Hüser, C.; Ziegner, N.; Huste, T.

An Ansible role to set up HAProxy to be used as a load balancer in a high availability and scalability context.

Keywords: haproxy; loadbalancer; networking; web; ansible

  • Software in external data repository
    Publication year 2020
    Programming language: Ansible
    System requirements: Ubuntu
    License: Apache-2.0 (Link to license text)
    Hosted on Link to location

Publ.-Id: 32131

Ansible Role GitLab

Hüser, C.; Huste, T.; Ziegner, N.

Ansible role to configure GitLab Omnibus installation.

Keywords: gitlab; ansible

  • Software in external data repository
    Publication year 2020
    Programming language: Ansible
    System requirements: Ubuntu
    License: Apache-2.0 (Link to license text)
    Hosted on Link to location

Publ.-Id: 32130

Sub-20 nm multilayer nanopillar patterning for hybrid SET/CMOS integration

Pourteau, M.-L.; Gharbi, A.; Brianceau, P.; Dallery, J.-A.; Laulagnet, F.; Rademaker, G.; Tiron, R.; Engelmann, H.-J.; Borany, J.; Heinig, K.-H.; Rommel, M.; Baier, L.

SETs (Single-Electron-Transistors) arouse growing interest for their very low energy consumption. For future industrialization, it is crucial to show a CMOS-compatible fabrication of SETs, and a key prerequisite is the patterning of sub-20 nm Si Nano-Pillars (NP) with an embedded thin SiO2 layer. In this work, we report the patterning of such multi-layer isolated NP with e-beam lithography combined with a Reactive Ion Etching (RIE) process. The Critical Dimension (CD) uniformity and the robustness of the Process of Reference are evaluated.
Characterization methods, either by CD-SEM for the CD, or by TEM cross-section for the NP profile, are compared and discussed.

Keywords: Single-electron transistor; Multilayer nanopillars; Silicon nanodots; E-beam lithography; Reactive ion etching; Energy-filtered transmission electron microscopy

Publ.-Id: 32129

ESUO - The European Synchrotron and FEL User Organisation: Aims and activities

Aksoy, A.; Arčon, I.; Arikan, P.; Bittencourt, C.; Boscherini, F.; Braz Fernandes, F. M.; Brooks, N.; Casu, B.; Cianci, M.; Feiters, M.; Froideval, A.; Granroth, S.; Gross, S.; Gutt, C.; Hase, T.; Jablonska, K.; Jergel, M.; Karsli, Ö.; Khan, A.; Kirm, M.; Kokkinidis, M.; Kövér, L.; Kuzmin, A.; Landau, M.; Larsen, H. B.; Lechner, R. T.; Le-Hir, R.; Logan, D. T.; López, O.; Lorentz, K.; Mariani, C.; Marinkovic, B.; McGuinness, C.; Meedom Nielsen, M.; Mičetić, M.; Mikulík, P.; Padežnik Gomilšek, J.; Petukhov, A.; Pietsch, U.; Renault, L.; Russell, A.; Shivachev, B.; Sobierajski, R.; Stangl, J.; Thissen, R.; Tromp, M.; Vankó, G.; Witkowska, A.; Blasetti, C.; Freire Anselmo, A. S.; Grobosch, M.; Helm, M.; Schramm, B.; Schultheiss, K.; Vollmer, A.

The European Synchrotron and free-electron laser User Organisation (ESUO) represents about 22.000 users from 30 European member states and associated countries. Each country is represented within ESUO by one up to four national delegate(s), depending on the size of the user community in the respective country. The ESUO aims and activities are shown in this poster.

  • Poster (Online presentation)
    12th BESSY@HZB USER MEETING, 10.12.2020, Berlin-Adlershof, Deutschland

Publ.-Id: 32128

Proposal for the delineation of neoadjuvant target volumes in oesophageal cancer

Thomas, M.; Mortensen, H.; Hoffmann, L.; Møller, D.; Troost, E. G. C.; Muijs, C.; Berbee, M.; Bütof, R.; Nicholas, O.; Radhakrishna, G.; Defraene, G.; Nafteux, P.; Nordsmark, M.; Haustermans, K.

To define instructions for delineation of target volumes in the neoadjuvant setting in oesophageal cancer.
Materials and methods
Radiation oncologists of five European centres participated in the following consensus process: [1] revision of published (MEDLINE) and national/institutional delineation guidelines; [2] first delineation round of five cases (patient 1–5) according to national/institutional guidelines; [3] consensus meeting to discuss the results of step 1 and 2, followed by a target volume delineation proposal; [4] circulation of proposed instructions for target volume delineation and atlas for feedback; [5] second delineation round of five new cases (patient 6–10) to peer review and validate (two additional centres) the agreed delineation guidelines and atlas; [6] final consensus on the delineation guidelines depicted in an atlas.
Target volumes of the delineation rounds were compared between centres by Dice similarity coefficient (DSC) and maximum/mean undirected Hausdorff distances (Hmax/Hmean).
In the first delineation round, the consistency between centres was moderate (CTVtotal: DSC = 0.59–0.88; Hmean = 0.2–0.4 cm). Delineations in the second round were much more consistent. Lowest variability was obtained between centres participating in the consensus meeting (CTVtotal: DSC: p < 0.050 between rounds for patients 6/7/8/10; Hmean: p < 0.050 for patients 7/8/10), compared to validation centres (CTVtotal: DSC: p < 0.050 between validation and consensus meeting centres for patients 6/7/8; Hmean: p < 0.050 for patients 7/10).
A proposal for delineation of target volumes and an atlas were generated.
We proposed instructions for target volume delineation and an atlas for the neoadjuvant radiation treatment in oesophageal cancer. These will enable a more uniform delineation of patients in clinical practice and clinical trials.

Keywords: Oesophageal cancer; Neoadjuvant chemoradiation; Proposal for delineation; Delineation atlas; Consensus

Publ.-Id: 32127

Slice2Volume: Fusion of multimodal medical imaging and light microscopy data of irradiation-injured brain tissue in 3D.

Müller, J.; Suckert, T.; Beyreuther, E.; Schneider, M.; Boucsein, M.; Bodenstein, E.; Stolz-Kieslich, L.; Krause, M.; von Neubeck, C.; Haase, R.; Lühr, A.; Dietrich, A.

The dataset contains comprehensive image data for a total of nine mice, which underwent normal tissue brain irradiation with 90 MeV protons.             
In particular, the image data comprise cone-bem computed tomographies (CBCT), Monte Carlo beam transport simulations based on those CTs, regular magnetic resonance imaging (MRI) follow-up (≥ 26 weeks), a co-aligned DSURQE mouse brain atlas and scanned whole-brain tissue sections with histochemical and immunofluorescent markers for morphology (H&E), cell nuclei (DAPI), astrocytes (GFAP), microglia (Iba1), the intermediate filament protein Nestin, proliferation (Ki67), neurons (NeuN) and oligodendrocytes (OSP).          
The volumetric image data (i.e. CBCT, MRI and brain atlas) were co-aligned using the ImageJ plugin Big Warp. The CBCT data was used as spatial reference to allow for mask-based, slice-wise alignment of CBCT and light microscopy image data in 3D with the scriptable registration tool Elastix.  

We provide the data in raw format and as aligned data sets, as well as their spatial transformations.

Keywords: Preclinical; Image fusion; Proton radiation; Medical imaging; Histology

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-20
    DOI: 10.14278/rodare.557
    License: CC-BY-4.0


Publ.-Id: 32124

Teaching ML in Compact Courses

Fouilloux, A.; Steinbach, P.

This talk summarizes the experiences made with teaching Machine Learning within compact events that stretch over several days to a week maximum. Both speakers explain pitfalls they were caught in as well as solutions they found.

This talk was given at the Teaching Machine Learning workshop at ECML-PKDD 2020. For more details and information see

Keywords: teaching; compact courses; machine learning; artificial intelligence

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2020-09-08
    DOI: 10.14278/rodare.752
    License: CC-BY-4.0


Publ.-Id: 32121

Teaching ML in Compact Courses

Fouilloux, A.; Steinbach, P.

This talk summarizes the experiences made with teaching Machine Learning within compact events that stretch over several days to a week maximum. Both speakers explain pitfalls they were caught in as well as solutions they found.

Keywords: Machine Learning; Teaching; Artificial Intelligence; Bootcamp; courses

  • Open Access Logo Lecture (Conference) (Online presentation)
    European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases, 14.-18.09.2020, virtual, virtual
    DOI: 10.14278/rodare.753

Publ.-Id: 32120

Study of effective parameters on generating submicron (nano)-bubbles using the hydrodynamic cavitation

Hassanzadeh, A. C.; Nazari, S. A.; Shafaei, S. Z. A.; Azizi, A. D.; Gharabaghi, M. A.; Ahmadi, R. E.; Shahbazi, B. F.

Although submicron (nano)-bubbles (NBs) have been broadly used in the laboratory flotation processes, the role of critical factors in their generation is not adequately explored in the literature. The present study investigates the effect of six key factors on generating submicron-sized bubbles and its application to coarse-sized quartz flotation. Interaction of influential factors is highlighted, which was generally overlooked in previous studies. These parameters i.e. frother type (MIBC and A65), frother dosage (50-130 mg/L), air flow rate (0.1-0.4 L/min), pressure in Venturi tube (250-400 kPa), liquid temperature (22-42 °C) and pH (6-10) were evaluated through software based statistical fractional factorial design. The size distribution of NBs produced by the principle of hydrodynamic cavitation was measured using a laser particle size analyzer (LPSA), and Sauter mean bubble diameter (d32) was considered as the experimental design response. Batch flotation experiments were performed with and without the A65 and MIBC-NBs. The results of experimental design showed that relative intensity of the main factors followed the order of air flow rate>temperature>frother type as the most effective parameters on the bubble size. It was revealed that the lowest air flow rate (0.1 L/min) produced the smallest bubbles. Meanwhile, the d32 decreased as the liquid temperature increased, and the bubble size strongly was related to the frother type and its concentration. Indeed, with changing frother from MIBC to A65, the reduction in mean bubble size was two-fold. Interaction of frother type with its dosage, air flow rate and pressure were statistically recognized significant on the mean bubble size, which was confirmed by p-values. Finally, flotation recovery of quartz particles improved ca. 22% in the presence of NBs compared to the conventional flotation. © Wroclaw University of Science and Technology.

Keywords: Bulk nanobubbles (NBs); Frother typeTemperatur; Fractional factorial design; Coarse quartz particles

Publ.-Id: 32119

Phase selection in Mn-Si alloys by fast solid-state reaction with enhanced skyrmion stability

Li, Z.; Xie, Y.; Yuan, Y.; Ji, Y.; Begeza, V.; Cao, L.; Hübner, R.; Rebohle, L.; Helm, M.; Kornelius, N.; Prucnal, S.; Zhou, S.

B20-type transition-metal silicides or germanides are noncentrosymmetric materials hosting magnetic skyrmions, which are promising information carriers in spintronic devices. The prerequisite is the preparation of thin films on technology-relevant substrates with magnetic skyrmions stabilized at a broad temperature and magnetic-field working window. The canonical example is the B20-MnSi film grown on Si substrates. However, the as-yet unavoidable contamination with MnSi1.7 occurs due to the lower nucleation temperature of this phase. In this work, we report a simple and efficient method to overcome this problem and prepare single-phase MnSi films on Si substrates. It is based on the millisecond reaction between metallic Mn and Si using flash lamp annealing (FLA). By controlling the FLA energy density, we can grow single-phase MnSi or MnSi1.7 or their mixture at will. Compared with bulk MnSi the prepared MnSi films show an increased Curie temperature of up to 41 K. In particular, the magnetic skyrmions are stable over a much wider temperature and magnetic-field range than reported previously. Our results constitute a novel phase selection approach for alloys and can help enhance specific functional properties such as enhancing the stability of magnetic skyrmions.

Keywords: B20-MnSi; Flash lamp annealing; Phase separation; Skyrmions


  • Secondary publication expected from 15.01.2022

Publ.-Id: 32117

Development of Machine Learning Framework for Interfacial Force Closures Based on Bubble Tracking Data

Tai, C.-K.; Lucas, D.; Bolotnov, I.

This work aims to develop data-driven modeling framework with the aid of machine learning methods and high-fidelity dataset. To gain confidence on the methodology, a bubble drag regression task using artificial dataset is conducted. Result shows FNN’s capability performing non-linear fitting. On the other hand, the sample size test would give sense on model underfitting with same amount of knowledge. Inspired by the previous task, the focus then moved on to utilize DNS bubble tracking dataset for modeling interfacial momentum exchange terms. A novel way to approach interfacial momentum exchange is proposed. Preliminary result reveals the concern of model accuracy on unseen data points. Improvement on model generalization is suggested. Also, further refinement on label formation and data processing should be taken care of. Nonetheless, the potential using high fidelity data and NN to directly model interaction between phases in bubbly flow has been shown.

Keywords: DNS; bubbly flow; drag; machine learning

  • Contribution to proceedings
    2020 ANS Virtual Winter Meeting, 16.-19.11.2020, Online, USA
  • Lecture (Conference) (Online presentation)
    2020 ANS Virtual Winter Meeting, 16.-19.11.2020, Online, USA

Publ.-Id: 32111

Synthesis, structure and magnetic properties of Sm1.2Ho0.8Fe17Нx (x = 0; 4.4)

Veselova, S. V.; Paukov, M. A.; Tereshina, I. S.; Verbetsky, V. N.; Zakharov, K. V.; Gorbunov, D.; Vasil`Ev, A. N.

Intermetallic compounds based on rare-earth metals and iron are by far the most promising materials for permanent magnets. In this work, the multicomponent compound Sm1.2Ho0.8Fe17 was prepared by induction melting. The hydride Sm1.2Ho0.8Fe17H4.4 with a high hydrogen content was obtained by direct hydrogenation of the intermetallic compound. The rhombohedral Th2Zn17-type of structure (space group R3m) is inherent to parent compound and hydride as well. The effect of hydrogenation on the magnetic properties of Sm1.2Ho0.8Fe17 was investigated. Curie temperature of the hydride Sm1.2Ho0.8Fe17H4.4 is higher than that of parent compound by ΔTC = 138 K. The hydrogen embedded in Sm1.2Но0.8Fe17 crystal lattice increases the saturation magnetization (σS) at T = 300 K, but does not significantly affect σS at Т = 4.2 K. The ferrimagnetic structure is retained in magnetic fields up to 58 T in the parent compound, while, in the hydride, there is a spin-reorientation phase transition observed at 55 T. It is found that the parameter of the intersublattice exchange interaction decreases significantly in the hydride Sm1.2Ho0.8-Fe17H4.4 (and in the nitride Sm1.2Ho0.8Fe17N2.4) which is associated with boosting of the unit-cell volume and distances between magnetic ions.

Publ.-Id: 32109

Effect of power ultrasound on wettability and collector-less floatability of chalcopyrite, pyrite and quartz

Ahmad, H.; Hamed, G.; Safak, G. Ö.; Tomasz, N.; Agnieszka, S.

Numerous studies have addressed the role of ultrasonication on floatability of minerals macroscopically. However, the impact of acoustic waves on the mineral hydrophobicity and its physicochemical aspects were entirely overlooked in the literature. This paper mainly investigates the impact of ultrasonic power and its time on the wettability and floatability of chalcopyrite, pyrite and quartz. For this purpose, contact angle and collectorless microflotation tests were implemented on the ultrasonic-pretreated and non-treated chalcopyrite, pyrite and quartz minerals. The ultrasonic process was carried out by a probe-type ultrasound (Sonopuls, 20 kHz and 60 W) at various ultrasonication time (0.5–30 min) and power (0–180 W) while the dissolved oxygen (DO), liquid temperature, conductivity (CD) and pH were continuously monitored. Comparative assessment of wettabilities in the presence of a constant low-powered (60 W) acoustic pre-treatment uncovered that surface of all three minerals became relatively hydrophilic. Meanwhile, increasing sonication intensity enhanced their hydrophilicities to some extent except for quartz at the highest power-level. This was mainly related to generation of hydroxyl radicals, iron-deficient chalcopyrite and elemental sulfur (for chalcopyrite), formation of OH and H radicals together with H2O2 (for pyrite) and creation of SiOH (silanol) groups and hydrogen bond with water dipoles (for quartz). Finally, it was also found that increasing sonication time led to enhancement of liquid temperature and conductivity but diminished pH and degree of dissolved oxygen, which indirectly influenced the mineral wettabilities and floatabilities. Although quartz and pyrite ultrasound-treated micro-flotation recoveries were lower than that of conventional ones, an optimum power-level of 60–90 W was identified for maximizing chalcopyrite recovery.

Keywords: froth flotation; power ultrasound; ultrasonic treatment; chalcopyrite-pyrite-quartz flotation system; hydrophobicity

Publ.-Id: 32107

Magnetic structure of the quantum magnet SrCuTe2O6

Chillal, S.; Isman, A. T. M. N.; Luetkens, H.; Canévet, E.; Scurschii, I.; Khalyavin, D.; Lake, B.

SrCuTe2O6 consists of a three-dimensional arrangement of spin-1/2 Cu2+ ions. The first-, second-, and third-neighbor interactions, respectively, couple Cu2+ moments into a network of isolated triangles, a highly frustrated hyperkagome lattice consisting of corner-sharing triangles and antiferromagnetic chains. Of these, the chain interaction dominates in SrCuTe2O62O6 using muon relaxation spectroscopy and neutron diffraction and present the low-temperature magnetic structure as well as the directional-dependent magnetic phase diagram as a function of field.

Publ.-Id: 32105

Momentum distribution function and short-range correlations of the warm dense electron gas -- ab initio quantum Monte Carlo results

Hunger, K.; Schoof, T.; Dornheim, T.; Bonitz, M.; Filinov, A.

In a classical plasma the momentum distribution, n(k), decays exponentially, for large k, and the same is observed for an ideal Fermi gas. However, when quantum and correlation effects are relevant simultaneously, an algebraic decay, n∞(k)∼k−8 has been predicted. This is of relevance for cross sections and threshold processes in dense plasmas that depend on the number of energetic particles. Here we present the first \textit{ab initio} results for the momentum distribution of the nonideal uniform electron gas at warm dense matter conditions. Our results are based on first principle fermionic path integral Monte Carlo (CPIMC) simulations and clearly confirm the k−8 asymptotic. This asymptotic behavior is directly linked to short-range correlations which are analyzed via the on-top pair distribution function (on-top PDF), i.e. the PDF of electrons with opposite spin. We present extensive results for the density and temperature dependence of the on-top PDF and for the momentum distribution in the entire momentum range.

Publ.-Id: 32103

Suppression of Metastatic Melanoma Growth in Lung by Modulated Electro-Hyperthermia Monitored by a Minimally Invasive Heat Stress Testing Approach in Mice

Thomas, M. J.; Major, E.; Benedek, A.; Horvath, I.; Mathe, D.; Bergmann, R.; Szasz, A. M.; Krenacs, T.; Benyo, Z.

Modulated electro-hyperthermia (mEHT) is a novel complementary therapy in oncology which is based on the higher conductivity and permittivity of cancerous tissues due to their enhanced glycolytic activity and ionic content compared to healthy normal tissues. We aimed to evaluate the potential of mEHT, inducing local hyperthermia, in the treatment of pulmonary metastatic melanoma. Our primary objective was the optimization of mEHT for targeted lung treatment as well as to identify the mechanism of its potential anti-tumor effect in the B16F10 mouse melanoma pulmonary metastases model while investigating the potential treatment-related side effects of mEHT on normal lung tissue. Repeated treatment of tumor-bearing lungs with mEHT induced significant anti-tumor effects as demonstrated by the lower number of tumor nodules and the downregulation of Ki67 expression in treated tumor cells. mEHT treatment provoked significant DNA double-strand breaks indicated by the increased expression of phosphorylated H2AX protein in treated tumors, although treatment-induced elevation of cleaved/activated caspase-3 expression was insignificant, suggesting the minimal role of apoptosis in this process. The mEHT-related significant increase in p21waf1 positive tumor cells suggested that p21waf1-mediated cell cycle arrest plays an important role in the anti-tumor effect of mEHT on melanoma metastases. Significantly increased CD3+, CD8+ T-lymphocytes, and F4/80+CD11b+ macrophage density in the whole lung and tumor of treated animals emphasizes the mobilizing capability of mEHT on immune cells. In conclusion, mEHT can reduce the growth potential of melanoma, thus offering itself as a complementary therapeutic option to chemo- and/or radiotherapy.

Keywords: B16F10 melanoma; DNA double-strand breaks; cell cycle arrest; immune cell mobilization; modulated electro-hyperthermia; pulmonary metastases

Publ.-Id: 32099

Magnetische Kühlung

Gottschall, T.

es hat keine aussagefähiges Abstract vorgelegen

  • Lecture (others)
    Seniorenakademie der TU Dresden, 15.09.2020, Dresden, Deutschland

Publ.-Id: 32093

Advanced characterization of multicaloric materials in pulsed magnetic fields

Gottschall, T.

es hat kein aussagefähiges Abstract vorgelegen

  • Invited lecture (Conferences) (Online presentation)
    JEMS 2020, 07.12.2020, Lissabon, Portugal

Publ.-Id: 32092

Dynamics of Rising Bubbles in a Quiescent Slag Bath with Varying Thermo-Physical Properties

Reuter, M. A.; Obiso, D.; Schwittala, D. H.; Korobeinikov, I.; Meyer, B.; Richter, A.

The motion of bubbles in a liquid slag bath with temperature gradients is investigated by means of 3D fluid dynamic computations. The goal of the work is to describe the dynamics of the rising bubbles, taking into account the temperature dependency of the thermo-physical properties of the slag. Attention is paid to the modeling approach used for the slag properties and how this affects the simulation of the bubble motion. In particular, the usage of constant values is compared to the usage of temperature-dependent data, taken from models available in the literature and from in-house experimental measurements. Although the present study focuses on temperature gradients, the consideration of varying thermo-physical properties is greatly relevant for the fluid dynamic modeling of reactive slag baths, since the same effect is given by heterogeneous species and solid fraction distributions. CFD is applied to evaluate the bubble dynamics in terms of the rising path, terminal bubble shape, and velocity, the gas–liquid interface area, and the appearance of break-up phenomena. It is shown that the presence of a thermal gradient strongly acts on the gas–liquid interaction when the temperature-dependent properties are considered. Furthermore, the use of literature models and experimental data produces different results, demonstrating the importance of correctly modeling the slag’s thermo-physical properties.

Keywords: rising bubbles; liquid slag

Publ.-Id: 32091

Thermoelectric Performance of the Half-Heusler Phases RNiSb (R = Sc, Dy, Er, Tm, Lu): High Mobility Ratio between Majority and Minority Charge Carriers

Ciesielski, K.; Synoradzki, K.; Veremchuk, I.; Skokowski, P.; Szymanski, D.; Grin, Y.; Kaczorowski, D.

Deeper understanding of electrical and thermal transport is critical for further development of thermoelectric materials. Here we describe the thermoelectric performance of a group of rare-earth-bearing half-Heusler phases determined in a wide temperature range. Polycrystalline samples of ScNiSb, DyNiSb, ErNiSb, TmNiSb, and LuNiSb are synthesized by arc melting and densified by spark plasma sintering. They are characterized by powder x-ray diffraction and scanning electron microscopy. The physical properties are studied by means of heat-capacity and Hall-effect measurements performed in the temperature range from 2 to 300 K, as well as electrical-resistivity, Seebeck-coefficient, and thermal-conductivity measurements performed in the temperature range from 2 to 950 K. All the materials except TmNiSb are found to be narrow-gap intrinsic p-type semiconductors with rather light charge carriers. In TmNiSb, the presence of heavy holes with large weighted mobility is evidenced by the highest power factor among the series (17 mu W K-²cm(-¹) at 700 K). The experimental electronic relaxation time calculated with the parabolic band formalism is found to range from 0.8 x 10(-¹⁴) to 2.8 x 10(-¹⁴) s. In all the materials studied, the thermal conductivity is between 3 and 6 W m(-¹) K-¹ near room temperature (i.e., smaller than in other pristine d-electron half-Heusler phases reported in the literature). The experimental observation of the reduced thermal conductivity appears fully consistent with the estimated low sound velocity as well as strong point-defect scattering revealed by Debye-Callaway modeling. Furthermore, analysis of the bipolar contribution to the measured thermal conductivity yields abnormally large differences between the mobilities of n-type and p-type carriers. The latter feature makes the compounds examined excellent candidates for further optimization of their thermoelectric performance via electron doping.


Publ.-Id: 32088

Discovery of high-performance thermoelectric copper chalcogenide using modified diffusion-couple high-throughput synthesis and automated histogram analysis technique

Deng, T.; Xing, T.; Brod, M. K.; Sheng, Y.; Qiu, P.; Veremchuk, I.; Song, Q.; Wei, T.-R.; Yang, J.; Snyder, G. J.; Grin, Y.; Chen, L.; Shi, X.

Discovery of novel high-performance materials with earth-abundant and environmentally friendly elements is a key task for civil applications based on advanced thermoelectric technology. Advancements in this area are greatly limited by the traditional trial-and-error method, which is both time-consuming and expensive. The materials genome initiative can provide a powerful strategy to screen for potential novel materials using high-throughput calculations, materials characterization, and synthesis. In this study, we developed a modified diffusion-couple high-throughput synthesis method and an automated histogram analysis technique to quickly screen high-performance copper chalcogenide thermoelectric materials, which has been well demonstrated in the ternary Cu-Sn-S compounds. A new copper chalcogenide with the composition of Cu₇Sn₃S₁₀ was discovered. Studies on crystal structure, band gap, and electrical and thermal transport properties were performed to show that it is a promising thermoelectric material with ultralow lattice thermal conductivity, moderate band gap, and decent electrical conductivity. Via Cl doping, the thermoelectric dimensionless figure of merit zT reaches 0.8 at 750 K, being among the highest values reported in Cu-Sn-S ternary materials. The modified diffusion-couple high-throughput synthesis method and automated histogram analysis technique developed in this study also shed light on the development of other advanced thermoelectric and functional materials.

Keywords: ultralow thermal conductivity; ternary; scattering; sulfides; Cu₂SnS₃; model


  • Secondary publication expected from 30.07.2021

Publ.-Id: 32087

Robust Fermi-Surface Morphology of CeRhIn5 across the Putative Field-Induced Quantum Critical Point

Mishra, S.; Hornung, J.; Raba, M.; Klotz, J.; Förster, T.; Harima, H.; Aoki, D.; Wosnitza, J.; McCollam, A.; Sheikin, I.

We report a comprehensive de Haas–van Alphen (dHvA) study of the heavy-fermion material CeRhIn5 in magnetic fields up to 70 T. Several dHvA frequencies gradually emerge at high fields as a result of magnetic breakdown. Among them is the thermodynamically important β1 branch, which has not been observed so far. Comparison of our angle-dependent dHvA spectra with those of the non-4f compound LaRhIn5 and with band-structure calculations evidences that the Ce 4f electrons in CeRhIn5 remain localized over the whole field range. This rules out any significant Fermi-surface reconstruction, either at the suggested nematic phase transition at B* ≈ 30 T or at the putative quantum critical point at Bc ≃ 50 T. Our results rather demonstrate the robustness of the Fermi surface and the localized nature of the 4f electrons inside and outside of the antiferromagnetic phase.

Publ.-Id: 32086

Magnetoelastic study on the frustrated quasi-one-dimensional spin-1/2 magnet LiCuVO4

Miyata, A.; Hikihara, T.; Furukawa, S.; Kremer, R. K.; Zherlitsyn, S.; Wosnitza, J.

We investigated the magnetoelastic properties of the quasi-one-dimensional spin-1/2 frustrated magnet LiCuVO4. Longitudinal-magnetostriction experiments were performed at 1.5 K in high magnetic fields of up to 60 T applied along the b axis, i.e., the spin-chain direction. The magnetostriction data qualitatively resemble the magnetization results, and saturate at Hsat ≈ 54 T, with a relative change in sample length of ΔL/L ≈ 1.8 × 10−4. Remarkably, both the magnetostriction and the magnetization evolve gradually between Hc3 ≈ 48 T and Hsat, indicating that the two quantities consistently detect the spin-nematic phase just below the saturation. Numerical analyses for a weakly coupled spin-chain model reveal that the observed magnetostriction can overall be understood within an exchange-striction mechanism. Small deviations found may indicate nontrivial changes in local correlations associated with the field-induced phase transitions.


Publ.-Id: 32083

Tuning of ferromagnetic behavior of GaN films by N ion implantation: an experimental and first principle-based study

Singh, P.; Ghosh, S.; Mishra, V.; Barman, S.; Barman, S. R.; Singh, A.; Kumar, S.; Li, Z.; Kentsch, U.; Srivastava, P.

Magnetic properties of N-ion implanted GaN films (150 nm) have been reported. It is found that GaN films grown by the MOCVD technique show strong room temperature ferromagnetic behavior, which can be tuned by implanting N-ions at different fluences (1×10¹⁵ to 5×10¹⁶ ions- cm⁻²). Presence of implanted N at interstitial sites of the GaN host matrix is indicated from the strain observed in GaN by analysis of XRD data. PL spectra show presence of different types of defects in the as deposited film and engineering of defects after N-ion implantation. XPS spectra of Ga 3d-core level and valence band reveal the bonding of implanted N with the host Ga and/or N. The origin of ferromagnetic behavior is ascribed to unpaired electrons created at N sites due to Ga vacancies. First principle-based calculations also confirm ferromagnetism due to Ga vacancies and the reduction of magnetic behavior in Ga deficient GaN with N-ion implantation at interstitial site. The systematic reduction in the saturation magnetic moment value after N-ion implantation is explained on the basis of pairing of the unpaired electrons due to the bond formation of interstitial N with Ga and N present in the host matrix.

Keywords: ion implantation; defects; ferromagnetism; nitrogen interstitials; tuning

Publ.-Id: 32080

Magnetic Refrigeration: From material to application

Gottschall, T.

es hat kein aussagefähiges Abstract vorgelegen

  • Invited lecture (Conferences)
    31. Edgar Lüscher Seminar, 09.02.2020, Klosters, Schweiz

Publ.-Id: 32079

Recent progress and future projects at HLD and LNCMI - Toulouse

Miyata, A.

es hat kein aussagefähiges Abstract vorgelegen

  • Invited lecture (Conferences) (Online presentation)
    The 16th Japanese High Magnetic Field Forum, 03.12.2020, Tuhoku, Japan

Publ.-Id: 32078

Magnetoelastic coupling in frustrated magnets: The cases of LiCuVO4 and MnCr2S4

Miyata, A.

es hat kein aussagefähiges Abstract vorgelegen

  • Invited lecture (Conferences) (Online presentation)
    ARHMF 2020 and KINKEN Materials Science School 2020 for Young Scientists, 02.12.2020, Tohoku, Japan

Publ.-Id: 32076

Pressure-tuned magnetic interactions in the triangular-lattice Quantum antiferromagnet Cs2CuCl4

Zvyagin, S.

es hat kein aussagefähiges Abstract vorgelegen

  • Invited lecture (Conferences) (Online presentation)
    ARHMF 2020 and KINKEN Materials Science School 2020 for Young Scientists, 01.-03.12.2020, Tohoku, Japan

Publ.-Id: 32075

Contactless generation of cavitation in high temperature liquid metals and its impact on particle dispersion in solidified iron and steel samples

Sarma, M.; Grants, I.; Herrmannsdörfer, T.; Gerbeth, G.

A recently developed method for the contactless magnetic generation of cavitation is demonstrated for high-melting-point metals. The approach is based on the floating-zone technique, which is truly contactless and crucible-free as it uses electromagnetic forces. Using this method, ultra-high-temperature ceramic particles, such as TiN, TiB₂ and TiC, are admixed in liquid iron and 316L steel. The dispersion and particle refinement caused by cavitation treatment during melting and solidification are investigated. Magnetic fields up to 8 T that correspond to pressure oscillation amplitude of 0.83 MPa are used. The signal emitted by the collapsing bubbles is captured and visualized for iron melts. Samples with a higher number of cavitation nuclei exhibit a more stable cavitation response. Improved reinforcement refinement is demonstrated for increasing cavitation intensity – the size of precipitates is evidently reduced due to the cavitation


  • Secondary publication expected from 01.05.2022

Publ.-Id: 32074

Spin dynamics in low-D spin systems: high-field ESR

Zvyagin, S.

es lag kein aussagefähiges Abstract vor

  • Invited lecture (Conferences) (Online presentation)
    Workshop on Neutrons and Complementary Techniques for Quantum Materials, 18.-21.08.2020, Oak Ridge, USA

Publ.-Id: 32073

Shaken and stirred: When Bond meets Suess-de Vries and Gnevyshev-Ohl

Stefani, F.; Stepanov, R.; Weier, T.

We argue that the most prominent temporal features of the solar dynamo, in particular the Hale cycle, the Suess de Vries cycle (associated with variations of the Gnevyshev-Ohl rule), Gleissberg-type cycles, and grand minima can be self-consistently explained by double synchronization with the 11.07-years periodic tidal forcing of the Venus-Earth-Jupiter system and the (mainly) 19.86-years periodic motion of the Sun around the barycenter of the solar system. In our numerical simulation, grand minima, and clusters thereof, emerge as intermittent and non periodic events on millennial time scales, very similar to the series of Bond events which were observed throughout the Holocene and the last glacial period. If confirmed, such an intermittent transition to chaos would prevent any long-term prediction of solar activity, notwithstanding the fact that the shorter-term Hale and Suess-de Vries cycles are clocked by planetary motion.

Keywords: solar cycle

  • Invited lecture (Conferences) (Online presentation)
    Virtual Nordic Dynamo Seminar, 15.09.2020, Stockholm, Sweden

Publ.-Id: 32072

Schwabe, Gleissberg, Suess-de Vries: Towards a consistent model of planetary synchronization of solar cycles

Stefani, F.; Giesecke, A.; Seilmayer, M.; Stepanov, R.; Weier, T.

Aiming at a consistent planetary synchronization model of both short-term and long-term solar cycles, we start with an analysis of Schove’s historical data of cycle maxima. Their deviations (residuals) from the average cycle duration of 11.07 years show a high degree of regularity, comprising a dominant 200 year period (Suess-de Vries cycle), and a few periods around 100 years (Gleissberg cycle). Encouraged by their robustness, we support previous forecasts of an upcoming grand minimum in the 21st century. To explain the long-term cycles, we enhance our tidally synchronized solar dynamo model by a modulation of the field storage capacity of the tachocline with the orbital angular momentum of the Sun, which is dominated by the 19.86-year periodicity of the Jupiter–Saturn synodes. This modulation of the 22.14-year Hale cycle leads to a 193-year beat period of dynamo activity which is indeed close to the Suess-de Vries cycle. For stronger dynamo modulation, the model produces additional peaks at typical Gleissberg frequencies, which seem to be explainable by the non-linearities of the basic beat process, leading to a bi-modality of the Schwabe cycle. However, a complementary role of beat periods between the Schwabe cycle and the Jupiter–Uranus/Neptune synodic cycles cannot be completely excluded.

Keywords: solar cycle


  • Secondary publication expected from 28.09.2021

Publ.-Id: 32071

Evolution of a strong electrovortex flow in a cylindrical cell

Kolesnichenko, I.; Frick, P.; Eltishchev, V.; Mandrykin, S.; Stefani, F.

The mechanism of poloidal flow suppression in an electrovortex flow (EVF) is verified in a liquid metal experiment and supported by numerical simulations. Beyond a certain threshold of azimuthal forcing, a strong poloidal EVF flow develops only transiently, before the centrifugal forces of the slowly generated swirl compensate the EVF-driving forces. This result shows that EVFs can become of particular importance in large-scale liquid metal batteries, especially during the switch-on regime when the transient poloidal flows can be up to two orders of magnitude stronger than those expected in the saturated regime.

Keywords: electrovortex flow


Publ.-Id: 32070

Overview of mico- and millifluidic prototyping and sensing approaches

Schütt, J.; Makarov, D.

Kick-Off Präsentation des HZDRs im Zuge des Projektstarts. Angesprochene Themengebiete umfassen die aktuellen und zukünftigen Arbeitsgebiete der Arbeitsgruppe "Fluid Sensorics".

Keywords: Fluidic Sensorics; SiNW FETs; Nano-capacitors; Planar Hall Effect Sensors

  • Lecture (others) (Online presentation)
    Initial Scientific Meeting, 12.11.2020, Dresden, Deutschland

Publ.-Id: 32069

Using Diffuse Scattering to Observe X-Ray-Driven Nonthermal Melting

Hartley, N.; Grenzer, J.; Huang, L.; Inubushi, Y.; Kamimura, N.; Katagiri, K.; Kodama, R.; Kon, A.; Lu, W.; Makita, M.; Matsuoka, T.; Nakajima, S.; Ozaki, N.; Pikuz, T.; Rode, A. V.; Sagae, D.; Schuster, A.; Tono, K.; Voigt, K.; Vorberger, J.; Yabuuchi, T.; McBride, E. E.; Kraus, D.

We present results from the SPring-8 Angstrom Compact free electron LAser facility, where we used a high intensity (∼10^20 W/cm2) x-ray pump x-ray probe scheme to observe changes in the ionic structure of silicon induced by x-ray heating of the electrons. By avoiding Laue spots in the scattering signal from a single crystalline sample, we observe a rapid rise in diffuse scattering and a transition to a disordered, liquidlike state with a structure significantly different from liquid silicon. The disordering occurs within 100 fs of irradiation, a timescale that agrees well with first principles simulations, and is faster than that predicted by purely inertial behavior, suggesting that both the phase change and disordered state reached are dominated by Coulomb forces. This method is capable of observing liquid scattering without masking
signal from the ambient solid, allowing the liquid structure to be measured throughout and beyond the phase change.

Publ.-Id: 32068

Design and performance characterisation of the HAPG von Hámos Spectrometer at the High Energy Density Instrument of the European XFEL

Preston, T. R.; Göde, S.; Schwinkendorf, J.-P.; Appel, K.; Brambrink, E.; Cerantola, V.; Höppner, H.; Makita, M.; Pelka, A.; Prescher, C.; Sukharnikov, K.; Schmidt, A.; Thorpe, I.; Toncian, T.; Amouretti, A.; Chekrygina, D.; Falcone, R. W.; Falk, K.; Fletcher, L. B.; Galtier, E.; Harmand, M.; Hartley, N.; Hau-Riege, S. P.; Heimann, P.; Huang, L.; Humphries, O. S.; Karnbach, O.; Kraus, D.; Lee, H. J.; Nagler, B.; Ren, S.; Schuster, A.; Smid, M.; Voigt, K.; Zhang, M.; Zastrau, U.

The von Hámos spectrometer setup at the HED instrument of the European XFEL is described in detail. The spectrometer is designed to be operated primarily between 5 and 15 keV to complement the operating photon energy range of the HED instrument. Four Highly Annealed Pyrolitic Graphite (HAPG) crystals are characterised with thicknesses of 40 μm or 100 μm and radius-of-curvature 50 mm or 80 mm, in conjunction with either an ePix100 or Jungfrau detector. The achieved resolution with the 50 mm crystals, operated between 6.5 and 9 keV, matches that reported previously: ~8 eV for a thickness of 40 μm, whereas, with an 80 mm crystal of thickness 40 μm, the resolution exceeds that expected. Namely, a resolution of 2 eV is demonstrated between 5–6 keV implying a resolving power of 2800. Therefore, we posit that flatter HAPG crystals, with their high reflectivity and improved resolving power, are a powerful tool for hard x-ray scattering and emission experiments allowing unprecedented measurements of collective scattering in a single shot.

Publ.-Id: 32067

A spectral library for laser-induced fluorescence analysis as a tool for rare earth element identification

Fuchs, M.; Beyer, J.; Lorenz, S.; Sharma, S.; Renno, A.; Heitmann, J.; Gloaguen, R.

With the recurring interest on rare-earth elements (REE), laser-induced fluorescence (LiF) may provide a powerful tool for their rapid and accurate identification at different stages along their value chain. Applications to natural materials such as rocks could complement the spectroscopy-based toolkit for innovative, non-invasive exploration technologies. However, the diagnostic assignment of detected emission lines to individual REE remains challenging, because of the complex composition of natural rocks in which they can be found. The resulting mixed spectra and the large amount of data generated demand for automated approaches of data evaluation, especially in mapping applications such as drill core scanning. LiF reference data provide the solution for robust REE identification, yet they usually remain in the form of tables of published emission lines. We show that a complete reference spectra library could open manifold options for innovative automated analysis.

We present a library of high-resolution LiF reference spectra using the Smithsonian rare-earth phosphate standards for electron microprobe analysis.We employ three standard laser wavelengths (325 nm, 442 nm, 532 nm) to record representative spectra in the UV-visible to near-infrared spectral range (340–1080 nm). Excitation at all three laser wavelengths yielded characteristic spectra with distinct REE-related emission lines for EuPO4, TbPO4, DyPO4 and YbPO4. In the other samples, the high-energy excitation at 325 nm caused unspecific, broadband defect emissions. Here, lower energy laser excitation showed successful for suppressing non-REE-related emission. At 442 nm excitation, REE-reference spectra depict the diagnostic emission lines of PrPO4, SmPO4 and ErPO4. For NdPO4 and HoPO4 most efficient excitation was achieved with 532 nm. Our results emphasise on the possibility of selective REE excitation by changing the excitation wavelength according to the suitable conditions for individual REEs. Our reference spectra provide a database for transparent and reproducible evaluation of REE-bearing rocks. The LiF spectral library is available at and the registered DOI: (Fuchs et al., 2020). It gives access to traceable data for manifold further studies on comparison of emission line positions, emission line intensity ratios and splitting into emission line sub-levels or can be used as reference or training data for automated approaches of component assignment.

Keywords: Laser-induced fluorescence; rare earth elements; exploration; spectral library


Publ.-Id: 32066

Drill-core mineral abundance estimation using hyperspectral and high-resolution mineralogical data

Tusa, L.; Khodadadzadeh, M.; Contreras Acosta, I. C.; Rafiezadeh Shahi, K.; Fuchs, M.; Gloaguen, R.; Gutzmer, J.

Due to the extensive drilling performed every year in exploration campaigns for the discovery and evaluation of ore deposits, drill-core mapping is becoming an essential step. While valuable mineralogical information is extracted during core logging by on-site geologists, the process is time consuming and dependent on the observer and individual background. Hyperspectral short-wave infrared (SWIR) data is used in the mining industry as a tool to complement traditional logging techniques and to provide a rapid and non-invasive analytical method for mineralogical characterization. Additionally, Scanning Electron Microscopy-based image analyses using a Mineral Liberation Analyser (SEM-MLA) provide exhaustive high-resolution mineralogical maps, but can only be performed on small areas of the drill-cores. We propose to use machine learning algorithms to combine the two data types and upscale the quantitative SEM-MLA mineralogical data to drill-core scale. This way, quasi-quantitative maps over entire drill-core samples are obtained. Our upscaling approach increases result transparency and reproducibility by employing physical-based data acquisition (hyperspectral imaging) combined with mathematical models (machine learning). The procedure is tested on 5 drill-core samples with varying training data using random forests, support vector machines and neural network regression models. The obtained mineral abundance maps are further used for the extraction of mineralogical parameters such as mineral association.

Keywords: hyperspectral imaging; drill-core; SWIR; mineral abundance mapping; mineral association; machine learning


Publ.-Id: 32065

Sediment Transit Time and Floodplain Storage Dynamics in Alluvial Rivers Revealed by Meteoric 10Be

Repasch, M.; Wittmann, H.; Scheingross, J. S.; Sachse, D.; Szupiany, R.; Orfeo, O.; Fuchs, M.; Hovius, N.

Quantifying the time scales of sediment transport and storage through river systems is fundamental for understanding weathering processes, biogeochemical cycling, and improving watershed management, but measuring sediment transit time is challenging. Here we provide the first systematic test of measuring cosmogenic meteoric Beryllium‐10 (10Bem) in the sediment load of a large alluvial river to quantify sediment transit times. We take advantage of a natural experiment in the Rio Bermejo, a lowland alluvial river traversing the east Andean foreland basin in northern Argentina. This river has no tributaries along its trunk channel for nearly 1,300 km downstream from the mountain front. We sampled suspended sediment depth profiles along the channel and measured the concentrations of 10Bem in the chemically extracted grain coatings. We calculated depth‐integrated 10Bem concentrations using sediment flux data and found that 10Bem concentrations increase 230% from upstream to downstream, indicating a mean total sediment transit time of 8.4 ± 2.2 kyr. Bulk sediment budget‐based estimates of channel belt and fan storage times suggest that the 10Bem tracer records mixing of old and young sediment reservoirs. On a reach scale, 10Bem transit times are shorter where the channel is braided and superelevated above the floodplain, and longer where the channel is incised and meandering, suggesting that transit time is controlled by channel morphodynamics. This is the first systematic application of 10Bem as a sediment transit time tracer and highlights the method's potential for inferring sediment routing and storage dynamics in large river systems.

Keywords: meteoric 10Be; sediment transit time; river sediment; floodplains; sediment routing


Publ.-Id: 32063

alpaka-group/alpaka: alpaka 0.5.0: C++14

Worpitz, B.; Matthes, A.; Zenker, E.; Hübl, A.; Widera, R.; Bastrakov, S.; Ehrig, S.; Kelling, J.; Krude, J.; Stephan, J.; Werner, M.

The alpaka library is a header-only C++14 abstraction library for accelerator development.
The release 0.5.0 is providing support for AMD HIP and dropped support for C++11, CUDA 8, gcc 4.9 and boost < 1.65.1.

Keywords: CUDA; HPC; alpaka; OpenMP; HIP; C++; GPU; heterogeneous computing; performance portability

  • Software in external data repository
    Publication year 2020
    Programming language: C++
    System requirements: OS: Linux, Windows, or OSX requirements: C++14 compiler, boost 1.65.1+
    License: MPL-2.0
    Hosted on GitHub: Link to location
    DOI: 10.5281/zenodo.3909421

Publ.-Id: 32062

αvβ3-Specific Gold Nanoparticles for Fluorescence Imaging of Tumor Angiogenesis

Pretze, M.; von Kiedrowski, V.; Runge, R.; Freudenberg, R.; Hübner, R.; Davarci, G.; Schirrmacher, R.; Wängler, C.; Wängler, B.

This paper reports on the development of tumor-specific gold nanoparticles (AuNPs) as theranostic tools intended for target accumulation and the detection of tumor angiogenesis via optical imaging (OI) before therapy is performed, being initiated via an external X-ray irradiation source. The AuNPs were decorated with a near-infrared dye, and RGD peptides as the tumor targeting vector for αvβ3-integrin, which is overexpressed in tissue with high tumor angiogenesis. The AuNPs were evaluated in an optical imaging setting in vitro and in vivo exhibiting favorable diagnostic properties with regards to tumor cell accumulation, biodistribution, and clearance. Furthermore, the therapeutic properties of the AuNPs were evaluated in vitro on pUC19 DNA and on A431 cells concerning acute and long-term toxicity, indicating that these AuNPs could be useful as radiosensitizers in therapeutic concepts in the future.

Keywords: gold nanoparticle; optical imaging; radiosensitizer; tumor angiogenesis; RGD peptide

Publ.-Id: 32061

Data for "Gold implanted germanium photoswitch for cavity dumping of a free-electron laser"

Rana, R.; Klopf, J. M.; Ciano, C.; Singh, A.; Winnerl, S.; Schneider, H.; Helm, M.; Pashkin, O.

Measurements were carried out in ELBE 113 c lab. Free electron laser (FEL) pulses with a wavelength ranging from 6 to 90 µm from the FELBE laser operating at its maximum power level were used. Photoswitching of Ge and Ge:Au samples were carried out using a 1 kHz Ti:Sapphire Amplifier system at 800 nm. The data used in the paper is arranged in subfolders 1, 2, and 3. The description is as follows
1. Scheme of the experiment (used in Figure 1 and shows the idea of the experiment)
2. FEL pulse picking traces from photoswitched Ge and Ge: Au samples were recorded using an oscilloscope with 1 GHz bandwidth (Keysight InfiniiVision DSOX4104A).
Relevance: This data is used in Figures 2 and 3. This measurement showed the photoswitching attributes in both reflection and transmission geometry for the Ge and Ge: Au samples and suitability of Ge:Au sample for efficient cavity dumping.
3. Photoinduced reflectivity measurements for the Ge: Au sample as a function of the time delay between FEL pulses and the pulses from a kHz amplifier system is recorded. The fluence required to couple out FEL wavelengths with an efficiency of at least 50 % reflectivity and Matlab scripts used for simulation of photoinduced reflectivity for the same FEL wavelengths.
Relevance: This data is used in Figure 4 and shows the fluence requirements of the Ge:Au photoswitch and also a faster recovery time of sub-ns, much shorter than the FEL pulsing period of 77ns.

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-07
    DOI: 10.14278/rodare.726


Publ.-Id: 32060

Theory of three-magnon interaction in a vortex-state magnetic nanodot

Verba, R.; Körber, L.; Schultheiß, K.; Schultheiß, H.; Tiberkevich, V.; Slavin, A.

This repository contains the data used to determine the numerical threshold fields for three-magnon scattering in a vortex-state disk used in our paper "Theory of three-magnon interaction in a vortex-state magnetic nanodot" published in Physical Review B. 

For different excitation frequencies, we provide:

  • mumax3 simulation file and table containing the time-dependent magnetic energy for simulations where the microwave-field power is decreased over time
  • mumax3 file and resulting power spectrum for a continuous-wave excitation at a given microwave-field power above threshold
  • spatial mode profiles (magnitude/amplitude) to identify the modes taking part in the three-magnon splitting channel

Keywords: spin wave; theory; nonlinear; vortex; micromagnetic simulation

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-05-01
    DOI: 10.14278/rodare.724
    License: CC-BY-4.0


Publ.-Id: 32057

Spin-transfer dynamics in MgO-based magnetic tunnel junctions with an out-of-plane magnetized free layer and an in-plane polarizer

Kowalska, E.; Sluka, V.; Kakay, A.; Fowley, C.; Lindner, J.; Fassbender, J.; Deac, A. M.

Here, we present an analytical and numerical model describing the magnetization dynamics in MgO-based spin-torque nano-oscillators with an in-plane magnetized polarizer and an out-of-plane free layer. We introduce the spin-transfer torque asymmetry by considering the cosine angular dependence of the magnetoresistance between the two magnetic layers in the stack. For the analytical solution, dynamics are determined by assuming a circular precession trajectory around the direction perpendicular to the plane, as set by the effective field, and calculating the energy integral over a single precession period. In a more realistic approach, we include the bias dependence of the tunnel magnetoresistance, which is assumed empirically to be a piecewise linear function of the applied voltage. The dynamical states are found by solving the stability condition for the Jacobian matrix for out-of-plane static states. We find that the bias dependence of the tunnel magnetoresistance, which is an inseparable effect in every tunnel junction, exhibits drastic impact on the spin-torque nano-oscillator phase diagram, mainly by increasing the critical current for dynamics and quenching the oscillations at high currents. The results are in good agreement with our experimental data published elsewhere.

Keywords: spin-torque nano-oscillator (STNO); MgO-based magnetic tunnel junctions; tunnel magnetoresistance


Publ.-Id: 32055

A Roadmap for 3D Metal Aerogels: Materials Design and Application Attempts

Jiang, X.; Du, R.; Hübner, R.; Hu, Y.; Eychmüller, A.

Armed with merits of the metals (e.g., electrical conductivity, catalytic activity, and plasmonic properties) and aerogels (e.g., monolithic structure, porous network, and large specific surface area), metal aerogels (MAs) have stood out as a new class of porous materials in the last decade. With unparalleled potential in electrocatalysis, plasmonics, and sensing, they are envisaged to revolutionize the energy- and detection-related application fields. However, MA development is severely retarded by the lack of a sufficient material basis. Suffering from the ambiguous understanding of formation mechanisms, big challenges remain for tailoring MAs for task-specific applications. By surveying state-of-the-art developments, this review strives to summarize design principles and arouse interest in broad scientific communities. Moreover, critical challenges and opportunities are highlighted to provide a research roadmap for this young yet promising field.

Publ.-Id: 32053

Magnetic Field Assisted Electrodeposition of Metal on Conically Structured Electrodes

Huang, M.; Eckert, K.; Mutschke, G.

Conical structures towards nanometer length scales are attractive for numerous applications including super-hydrophobic and electrocatalytic materials. Among the various methods of synthesizing arrays of micro- and nano-cones, electrochemical deposition techniques have been widely applied. We aim at enhancing the conical growth during deposition by applying an external magnetic field. Most of the magnetic field effects can be attributed to the Lorentz force and the magnetic gradient force [1]. If the magnetic field imposed on the electrochemical cell is well designed, the magnetic forces can generate an electrolyte flow which brings fresh electrolyte towards the tip of a cone, so that the local mass transfer would be enhanced and the conical growth would be supported.

We first performed analytical and numerical studies of electrodeposition on diamagnetic (Cu) and ferromagnetic (Fe) cones of mm size under the influence of a homogeneous vertical magnetic field. The beneficial structuring effects of the Lorentz force has already been shown for the Cu cone case [2]. The magnetization of the Fe cones causes additionally a strong magnetic gradient force near the cone tips and gives rise to a flow that can bring enriched electrolyte to the conical cathode. As the cathodes are placed at the bottom of the electrochemical cell, solutal buoyancy tends to bring upwards lighter electrolyte from the conical cathode and thus counteract the downward flow caused by the magnetic forces. Our results show that for the Cu cones, the Lorentz force becomes smaller than the buoyancy force after the first few seconds of the deposition, while the magnetic gradient force in case of the Fe cones keeps surpassing the buoyancy during the deposition.

Next, scaling studies on cones of sizes ranging from millimeter to micrometer allow to deliver insights into the magnetic field assisted electrodeposition towards micro- and nano-cones. As the cone size shrinks, the geometrical inhomogeneity decreases, and the current density gets more uniformly distributed on the cone, which is making the conical growth more difficult. Furthermore, the beneficial flow forced by the magnetic field near smaller cones suffers from higher wall friction. But this can be partially compensated by the larger magnetic gradients existing at smaller Fe cones, and the flow caused by the magnetic gradient force was found to decrease more slowly than the flow caused by other forces with the decreasing cone size. Such scaling behavior of the flow velocity corresponds well with a theoretical analysis of the Navier-Stokes equation. For a Fe cone with a radius of 10 micron under study here, the magnetic gradient force generates a beneficial downward flow with a velocity of about 5 micron per second. But in general the structuring effects during the deposition is much weaker than at larger length scales.

This work shows the potential of using the magnetic gradient force for growing ferromagnetic conical structures during electrodeposition. Optimization possibilities for conical growth at smaller scales by e.g. enhancing the cell current, applying stronger magnetic fields and pulsed electrodeposition will also be discussed.

Related publications

Publ.-Id: 32049

How range residency and long-range perception change encounter rates

Martinez-Garcia, R.; Fleming, C. H.; Seppelt, R.; Fagan, W. F.; Calabrese, J.

Encounter rates link movement strategies to intra- and inter-specific interactions, and therefore translate individual movement behavior into higher-level ecological processes. Indeed, a large body of interacting population theory rests on the law of mass action, which can be derived from assumptions of Brownian motion in an enclosed container with exclusively local perception. These assumptions imply completely uniform space use, individual home ranges equivalent to the population range, and encounter dependent on movement paths actually crossing. Mounting empirical evidence, however, suggests that animals use space non-uniformly, occupy home ranges substantially smaller than the population range, and are of- ten capable of nonlocal perception. Here, we explore how these empirically supported behaviors change pairwise encounter rates. Specifically, we derive novel analytical expressions for encounter rates under Ornstein-Uhlenbeck motion, which features non-uniform space use and allows individual home ranges to differ from the population range. We compare OU-based encounter predictions to those of Reflected Brownian Motion, from which the law of mass action can be derived. For both models, we further explore how the interplay between the scale of perception and home-range size affects encounter rates. We find that neglecting realistic movement and perceptual behaviors can lead to systematic, non-negligible biases in encounter-rate predictions.

Keywords: Ecological theory; Encounter rates; Movement ecology; Home ranges


Publ.-Id: 32048

How optimal allocation of limited testing capacity changes epidemic dynamics

Calabrese, J.; Demers, J.

Insufficient testing capacity continues to be a critical bottleneck in the worldwide fight against COVID-19. Optimizing the deployment of limited testing resources has therefore emerged as a keystone problem in pandemic response planning. Here, we use a modified SEIR model to optimize testing strategies under a constraint of limited testing capacity. We define pre-symptomatic, asymptomatic, and symptomatic infected classes, and assume that positively tested individuals are immediately moved into quarantine. We further define two types of testing. Clinical testing focuses only on the symptomatic class. Non-clinical testing detects pre- and asymptomatic individuals from the general population, and an information parameter governs the degree to which such testing can be focused on high infection risk individuals. We then solve for the optimal mix of clinical and non-clinical testing as a function of both testing capacity and the information parameter. We find that purely clinical testing is optimal at very low testing capacities, supporting early guidance to ration tests for the sickest patients.
Additionally, we find that a mix of clinical and non-clinical testing becomes optimal as testing capacity increases. At high but empirically observed testing capacities, a mix of clinical testing and unfocused (information=0) non-clinical testing becomes optimal. We further highlight the dvantages of early implementation of testing programs, and of combining optimized testing with contact reduction interventions such as lockdowns, social distancing, and masking.


Publ.-Id: 32047

Autonomous implementation of thermodynamic cycles at the nanoscale

Strasberg, P.; Wächtler, C. W.; Schaller, G.

There are two paradigms to study nanoscale engines in stochastic and quantum thermodynamics.
Autonomous models, which do not rely on any external time-dependence, and models that make use of time-dependent control fields, often combined with dividing the control protocol into idealized strokes of a thermodynamic cycle. While the latter paradigm offers theoretical simplifications, its utility in practice has been questioned due to the involved approximations. Here, we bridge the two paradigms by constructing an autonomous model, which implements a thermodynamic cycle in a certain parameter regime. This effect is made possible by self-oscillations, realized in our model by the well studied electron shuttling mechanism. Based on experimentally realistic values, we find that a thermodynamic cycle analysis for a single-electron working fluid is unrealistic, but already a few-electron working fluid could suffice to justify it. We also briefly discuss additional open challenges to autonomously implement the more studied Carnot and Otto cycles.

Keywords: thermodynamic cycle; self-oscillation; autonomous control; electron shuttle

Publ.-Id: 32044

Spin stress contribution to the lattice dynamics of FePt

von Reppert, A.; Willig, L.; Pudell, J.-E.; Zeuschner, S.; Sellge, G.; Ganss, F.; Hellwig, O.; Ander Arregi, J.; Uhlíř, V.; Crut, A.; Bargheer, M.

Invar-behavior occurring in many magnetic materials has long been of interest to materials science. Here, we show not only invar behavior of a continuous film of FePt but also even negative thermal expansion of FePt nanograins upon equilibrium heating. Yet, both samples exhibit pronounced transient expansion upon laser heating in femtosecond x-ray diffraction experiments. We show that the granular microstructure is essential to support the contractive out-of-plane stresses originating from in-plane expansion via the Poisson effect that add to the uniaxial contractive stress driven by spin disorder. We prove the spin contribution by saturating the magnetic excitations with a first laser pulse and then detecting the purely expansive response to a second pulse. The contractive spin stress is reestablished on the same 100-ps time scale that we observe for the recovery of the ferromagnetic order. Finite-element modeling of the mechanical response of FePt nanosystems confirms the morphology dependence of the dynamics.

Publ.-Id: 32043

Theory of three-magnon interaction in a vortex-state magnetic nanodot

Verba, R.; Körber, L.; Schultheiß, K.; Schultheiß, H.; Tiberkevich, V.; Slavin, A.

We use vector Hamiltonian formalism (VHF) to study theoretically three-magnon parametric interaction (or three-wave splitting) in a magnetic disk existing in a magnetic vortex ground state. The three-wave splitting in a disk is found to obey two selection rules: (i) conservation of the total azimuthal number of the resultant spin-wave modes, and (ii) inequality for the radial numbers of interacting modes, if the mode directly excited by the driving field is radially symmetric (i.e. if the azimuthal number of the directly excited mode is m=0). The selection rule (ii), however, is relaxed in the "small" magnetic disks, due to the influence of the vortex core. We also found, that the efficiency of the three-wave interaction of the directly excited mode strongly depends on the azimuthal and radial mode numbers of the resultant modes, that becomes determinative in the case when several splitting channels (several pairs of resultant modes) simultaneously approximately satisfy the resonance condition for the splitting. The good agreement of the VHF analytic calculations with the experiment and micromagnetic simulations proves the capability of the VHF formalism to predict the actual splitting channels and the magnitudes of the driving field thresholds for the three-wave splitting.

Keywords: spin wave; nonlinear; three-magnon interaction; theory; micromagnetic simulation; vortex

Related publications


Publ.-Id: 32042

Circular by Design (CbD) - Ressourcenwende über nachhaltiges Produktdesign am Fallbeispiel Kühl-/Gefriergeräte

Raatz, S.; Heibeck, M.; Bickel, M.; Liedtke, C.; Tochtrop, C.; Schliack, M.; Förster, S.; Wächter, M.; Irmer, J.

Das Ziel von „Circular by Design“ besteht in der Entwicklung eines kreislauffähigen Produktdesigns für Kühl-/Gefriergeräte, das neben Energieeffizienz auch auf Ressourceneffizienz hin optimiert ist. Mit dem durch das BMBF geförderten Projekt soll die tatsächlich machbare Umsetzung von zirkulärem Design, zum einen mit dem Fokus auf Repair/Reuse und zum anderen auf möglichst geschlossene Recyclingpfade, demonstriert werden.
Die Zusammenführung der Ressourceneffizienzanalyse mit dem technologieorientierten und simulationsbasierten „Design for Recycling“-Modell soll künftig die Vorhersage eines für eine vollständige Kreislaufführung geeigneten Produktdesigns erlauben. Es werden die derzeitigen Verluste beim Erfassen und Recycling eines Kühl-/Gefriergerätes auf verschiedenen Ebenen quantifiziert, Ressourceneffizienzpotentiale dargestellt und auf dieser Basis ein Produktdesign entwickelt, dessen Materialzusammensetzung ein möglichst vollständiges Recycling sowie Reuse erlaubt.

Keywords: Recyclingfähigkeit; zirkuläres Produktdesign; metallische Rohstoffe; Ressourceneffizienz; Kreislaufwirtschaft; Kühl-/Gefriergeräte; Nachhaltigkeit; Substitution; Sekundäre Rohstoffe

  • Contribution to proceedings
    Recy & DepoTech 2020, 18.-20.11.2020, Leoben, Österreich
    Circular by Design (CbD) - Ressourcenwende über nachhaltiges Produktdesign am Fallbeispiel Kühl-/Gefriergeräte, Wien: aVW Abfallverwertungstechnik & Abfallwirtschaft, 978-3-200-07190-2, 799-804

Publ.-Id: 32041

Strongly coupled electron liquid: Ab initio path integral Monte Carlo simulations and dielectric theories

Dornheim, T.; Sjostrom, T.; Tanaka, S.; Vorberger, J.

Data used in the paper

Strongly coupled electron liquid: Ab initio path integral Monte Carlo simulations and dielectric theories

Tobias Dornheim, Travis Sjostrom, Shigenori Tanaka, and Jan Vorberger

Phys. Rev. B 101, 045129 – Published 27 January 2020

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-05
    DOI: 10.14278/rodare.709
    License: CC-BY-1.0


Publ.-Id: 32038

New instrumentation to enable novel imaging modalities using sub-50 keV transmitted helium ions

Mousley, M.; Eswara, S.; de Castro, O.; Bouton, O.; Serralta Hurtado De Menezes, E.; Klingner, N.; Koch, C.; Hlawacek, G.; Wirtz, T.

Helium ions offer an alternative imaging probe to electrons, with a smaller de Broglie wavelength at the same energy [1] [2][3]. Furthermore, the ability for neutralisation means that images can be formed by collecting only post-sample neutrals or both neutrals and transmitted ions. A comparison between the two can map where ions are more easily neutralised and offers an alternative contrast mechanism not possible with electrons. Transmission helium ion imaging is quite an understudied field and more experiments are required to fully assess the possibilities and benefits with this new microscopy. With this aim in mind, a prototype transmission helium ion microscope (THIM) has been constructed at the Luxembourg -Institute of Science and Technology (LIST) (Figure 1). The ion source is a duoplasmatron operated at 10-20 keV with a minimum beam spot size of 100 µm and a beam current of 0.1-2 nA . A microchannel plate (MCP) located behind the sample converts the transmitted ion signal to an electron shower which then hits a phosphor screen for direct transmission imaging with a stationary beam [4]. The detector is placed over 50 cm away from the sample. Imaging of crystalline powders showed unexpectedly large charging and deformation of the beam, producing collections of spots (Figure 2). Scanning transmission ion microscopy (STIM) can also be conducted if the phosphor screen is replaced with a metal anode plate. As the beam is scanned over the sample surface, the current from the plate is measured and gives the intensity at each pixel in the STHIM image. A secondary electron detector in front of the sample is used to record secondary electron images at the same time as STIM imaging (Figure 1). Post sample deflectors blank all ions in transmission, such that only neutral atoms are imaged and the fraction of neutralised ions can be estimated. Electrostatic blanking and using the anode plate current as a stop signal allows one to determine the energy of transmitted particles by measuring their time of flight (TOF). In addition, a position sensitive delay line detector has recently been installed, to add position sensitivity to the TOF measurements. This allows both the trajectory and energy of and ion to be measured at the same time, providing a more complete record of the transmission through the sample.

On a separate prototype machine, the ‘NPScope’ instrument, which combines a gas field ion source with a transmission delay line detector, STIM can be performed with nanometre spot size. This enables parallel bright and dark field imaging using the same detector (Figure 3).

Keywords: helium ion imaging; Scanning transmission ion microscopy

  • Lecture (Conference) (Online presentation)
    Virtual Early Career European Microscopy Congress 2020, 24.-26.11.2020, København, Danmark

Publ.-Id: 32036

Gold implanted germanium photoswitch for cavity dumping of a free-electron laser

Rana, R.; Klopf, J. M.; Ciano, C.; Singh, A.; Winnerl, S.; Schneider, H.; Helm, M.; Pashkin, O.

We present a plasma switch based on gold implanted germanium (Ge:Au) as a potential candidate for efficient cavity dumping of a free-electron laser (FEL). Ge:Au has a sub-nanosecond carrier lifetime – much shorter than the FEL pulsing period of 77 ns – and demonstrates a high photoinduced reflectivity in a broad range of infrared wavelengths from 6 to 90 µm. The Ge:Au plasma switch exhibits negligible absorption of the FEL radiation in the ʻoff ʼ state and requires only moderate thermoelectric cooling for incident FEL power of several Watts. A reflectivity level of more than 50 % in the ‘on’ state is achieved over the entire spectral range of this study. The corresponding optical pump fluence exhibits a linear relationship with the FEL frequency. This scaling is corroborated by our simulations highlighting the role of a finite sub-µm thickness of the photoinduced reflecting plasma layer. The demonstrated device is promising for the realization of the FEL cavity dumping for experiments that simultaneously require higher pulse energy and lower average power.

Keywords: Intense Terahertz pulses; Free Electron Laser; Cavity dumping; Optical switch

Related publications


Publ.-Id: 32035

Data for "Observation of strong magneto plasmonic nonlinearity in bilayer graphene discs"

Chin, M. L.; Matschy, S.; Stawitzki, F.; Poojali, J.; Hafez, H. A.; Turchinovich, D.; Winnerl, S.; Kumar, G.; Myers-Ward, R. L.; Dejarld, M. T.; Daniels, K. M.; Drew, H. D.; Murphy, T. E.; Mittendorff, M.

Data, Labbook notes and some presentations to the pblication topic

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2021-01-04
    DOI: 10.14278/rodare.703


Publ.-Id: 32034

Data for: Fusion of Dual Spatial Information for Hyperspectral Image Classification

Duan, P.; Ghamisi, P.; Kang, X.; Rasti, B.; Li, S.; Gloaguen, R.

The inclusion of spatial information into spectral classifiers for fine-resolution hyperspectral imagery has led to significant improvements in terms of classification performance. The task of spectral-spatial hyperspectral image classification has remained challenging because of high intraclass spectrum variability and low interclass spectral variability. This fact has made the extraction of spatial information highly active. In this work, a novel hyperspectral image classification framework using the fusion of dual spatial information is proposed, in which the dual spatial information is built by both exploiting pre-processing feature extraction and post-processing spatial optimization. In the feature extraction stage, an adaptive texture smoothing method is proposed to construct the structural profile (SP), which makes it possible to precisely extract discriminative features from hyperspectral images. The SP extraction method is used here for the first time in the remote sensing community. Then, the extracted SP is fed into a spectral classifier. In the spatial optimization stage, a pixel-level classifier is used to obtain the class probability followed by an extended random walker-based spatial optimization technique. Finally, a decision fusion rule is utilized to fuse the class probabilities obtained by the two different stages. Experiments performed on three data sets from different scenes illustrate that the proposed method can outperform other state-of-the-art classification techniques. In addition, the proposed feature extraction method, i.e., SP, can effectively improve the discrimination between different land covers.

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2020-12-19
    DOI: 10.14278/rodare.686


Publ.-Id: 32033

Data for: Remote Sensing Image Classification Using Subspace Sensor Fusion

Rasti, B.; Ghamisi, P.

The amount of remote sensing and ancillary datasets captured by diverse airborne and spaceborne sensors has been tremendously increased, which opens up the possibility of utilizing multimodal datasets to improve the performance of processing approaches with respect to the application at hand. However, developing a generic framework with high generalization capability that can effectively fuse diverse datasets is a challenging task since the current approaches are usually only applicable to two specific sensors for data fusion. In this paper, we propose an accurate fusion-based technique called SubFus with capability to integrate diverse remote sensing data for land cover classification. Here, we assume that a high dimensional multisensor dataset can be represented fused features that live in a lower-dimensional space. The proposed classification methodology includes three main stages. First, spatial information is extracted by using spatial filters (i.e., morphology filters). Then, a novel low- rank minimization problem is proposed to represent the multisensor datasets in subspaces using fused features. The fused features in the lower-dimensional subspace are estimated using a novel iterative algorithm based on the alternative direction method of multipliers. Third, the final classification map is produced by applying a supervised spectral classifier (i.e., random forest) on the fused features. In the experiments, the proposed method is applied to a three-sensor (RGB, multispectral LiDAR, and hyperspectral images) dataset captured over the area of the University of Houston, the USA, and a two-sensor (hyperspectral and LiDAR) dataset captured over the city of Trento, Italy. The land-cover maps generated using SubFus are evaluated based on classification accuracies. Experimental results obtained by SubFus confirm considerable improvements in terms of classification accuracies compared with the other methods used in the experiments. The proposed fusion approach obtains 85.32% and 99.25% in terms of overall classification accuracy on the Houston (the training portion of the dataset distributed for the data fusion contest of 2018) and trento datasets, respectively.

Related publications

  • Reseach data in the HZDR data repository RODARE
    Publication date: 2020-12-01
    DOI: 10.14278/rodare.688


Publ.-Id: 32032

The Road to Exascale

Stephan, J.

Exascale is the next big step in the field of high-performance computing. However, the hardware configurations of supercomputers around the world are becoming increasingly heterogeneous. Programmers have to take into account varying processor architectures (x86, ARM, RISC-V, ...) as well as different accelerator types (multicore CPUs, GPUs, FPGAs, ...) and the accompanying tools. Our goal is a portable stack of C++ libraries and tools. Together they shall form an ecosystem which abstracts away the differences between hardware configurations without sacrificing performance.

Keywords: alpaka; C++; heterogeneous computing; heterogeneous programming; HPC; hardware abstraction

  • Open Access Logo Poster
    Polish delegation meeting, 29.09.2020, Görlitz, Deutschland


Publ.-Id: 32031

Four-Frequency Solution in a Magnetohydrodynamic Couette Flow as a Consequence of Azimuthal Symmetry Breaking

Garcia, F.; Seilmayer, M.; Giesecke, A.; Stefani, F.

The occurrence of magnetohydrodynamic quasiperiodic flows with four fundamental frequencies in differentially rotating spherical geometry is understood in terms of a sequence of bifurcations breaking the azimuthal symmetry of the flow as the applied magnetic field strength is varied. These flows originate from unstable periodic and quasiperiodic states with broken equatorial symmetry, but having fourfold azimuthal symmetry. A posterior bifurcation gives rise to twofold symmetric quasiperiodic states, with three fundamental frequencies, and a further bifurcation to a four-frequency quasiperiodic state which has lost all the spatial symmetries. This bifurcation scenario may be favored when differential rotation is increased and periodic flows with m-fold azimuthal symmetry, m being a product of several prime numbers, emerge at sufficiently large magnetic field.

Keywords: Astrophysical fluid dynamics; Bifurcations; Chaos; Flow instability; Geophysical fluid dynamics; Magnetohydrodynamics


Publ.-Id: 32030

Laser produced electromagnetic pulses: generation, detection and mitigation

Consoli, F.; Tikhonchuk, V. T.; Bardon, M.; Bradford, P.; Carrol, D. C.; Cikhardt, J.; Cipriani, M.; Clarke, R. J.; Cowan, T. E.; Danson, C. N.; de Angelis, R.; de Marco, M.; Dubois, J.-L.; Etchessahar, B.; Laso Garcia, A.; Hillier, D. I.; Weiman, J.; Kmetik, V.; Krasa, J.; Li, Y.; Lubrano, F.; McKenna, P.; Metzkes-Ng, J.; Poye, A.; Prencipe, I.; Raczka, P.; Smith, R. A.; Vrana, R.; Woolsey, N. C.; Zemaityte, E.; Zhang, Y.; Zhang, Z.; Zielbauer, B.; Neely, D.; Honsa, A.

This paper provides an up-to-date review of the problems related to the generation, detection and mitigation of strong electromagnetic pulses created in the interaction of high-power, high-energy laser pulses with different types of solid targets. It includes new experimental data obtained independently at several international laboratories. The mechanisms of electromagnetic field generation are analyzed and considered as a function of the intensity and the spectral range of emissions they produce. The major emphasis is put on the GHz frequency domain, which is the most damaging for electronics and may have important applications. The physics of electromagnetic emissions in other spectral domains, in particular THz and MHz, is also discussed. The theoretical models and numerical simulations are compared with the results of experimental measurements, with special attention to the methodology of measurements and complementary diagnostics. Understanding the underlying physical processes is the basis for developing techniques to mitigate the electromagnetic threat and to harness electromagnetic emissions, which may have promising applications.

Keywords: Electromagnetic Pulses; High-Power Lasers; Diagnostics; Mitigation Techniques

Publ.-Id: 32029

Deep model simulation of polar vortices in gas giant atmospheres

Garcia, F.; Chambers, F. R. N.; Watts, A. L.

The Cassini and Juno probes have revealed large coherent cyclonic vortices in the polar regions of Saturn and Jupiter, a dramatic contrast from the east–west banded jet structure seen at lower latitudes. Debate has centred on whether the jets are shallow, or extend to greater depths in the planetary envelope. Recent experiments and observations have demonstrated the relevance of deep convection models to a successful explanation of jet structure, and cyclonic coherent vortices away from the polar regions have been simulated recently including an additional stratified shallow layer. Here we present new convective models able to produce long-lived polar vortices. Using simulation parameters relevant for giant planet atmospheres we find flow regimes of geostrophic turbulence (GT) in agreement with rotating convection theory. The formation of large-scale coherent structures occurs via 3D upscale energy transfers. Our simulations generate polar characteristics qualitatively similar to those seen by Juno and Cassini: They match the structure of cyclonic vortices seen on Jupiter; or can account for the existence of a strong polar vortex extending downwards to lower latitudes with a marked spiral morphology, and the hexagonal pattern seen on Saturn. Our findings indicate that these vortices can be generated deep in the planetary interior. A transition differentiating these two polar flows regimes is described, interpreted in terms of force balances and compared with shallow atmospheric models characterizing polar vortex dynamics in giant planets. In addition, heat transport properties are investigated, confirming recent scaling laws obtained with reduced models of GT.

Keywords: convection; turbulence; software: simulations; planets and satellites: gaseous planets


Publ.-Id: 32028

Bremsstrahlung emission and plasma characterization driven by moderately relativistic laser-plasma interactions

Singh, S. K.; Armstrong, C.; Kang, N.; Ren, L.; Liu, H.; Hua, N.; Rusby, D. R.; Klimo, O.; Versaci, R.; Zhang, Y.; Sun, M.; Zhu, B.; Lei, A.; Ouyang, X.; Lancia, L.; Laso Garcia, A.; Wagner, A.; Cowan, T. E.; Schlegel, T.; Weber, S.; McKenna, P.; Neely, D.; Tikhonchuk, V. T.; Kumar, D.; Zhu, J.

Relativistic electrons generated by the interaction of petawatt-class short laser pulses with solid targets can be used to generate bright X-rays via bremsstrahlung. The efficiency of laser energy transfer into these electrons depends on multiple parameters including focused intensity and pre-plasma level. This paper describes the experimental results from the interaction of a high intensity petawatt-class glass laser with solid targets at a maximum intensity of 10^19 W/cm^2. In-situ measurements of specularly reflected light were used to provide an upper bound of laser absorption and to characterize focused laser intensity, the pre-plasma level and the generation mechanism of second harmonic light. The measured spectrum of electrons and bremsstrahlung radiation provide information about the efficiency of laser energy transfer.

Keywords: Plasma Physics; Bremsstrahlung; High intensity laser

Publ.-Id: 32027

Chaotic wave dynamics in weakly magnetized spherical Couette flows

Garcia Gonzalez, F.; Seilmayer, M.; Giesecke, A.; Stefani, F.

Direct numerical simulations of a liquid metal filling the gap between two concentric spheres are presented. The flow is governed by the interplay between the rotation of the inner sphere (measured by the Reynolds number Re) and a weak externally applied axial magnetic field (measured by the Hartmann number Ha). By varying the latter, a rich variety of flow features, both in terms of spatial symmetry and temporal dependence, is obtained. Flows with two or three independent frequencies describing their time evolution are found as a result of Hopf bifurcations. They are stable on a sufficiently large interval of Hartmann numbers where regions of multistability of two, three, and even four types of these different flows are detected. The temporal character of the solutions is analyzed by means of an accurate frequency analysis and Poincaré sections. An unstable branch of flows undergoing a period doubling cascade and frequency locking of three-frequency solutions is described as well.

  • Chaos: An Interdisciplinary Journal of Nonlinear Science 30(2020), 043116
    DOI: 10.1063/1.5140577


Publ.-Id: 32025

Untersuchungen zur Optimierung der Selektivität bei der Extraktion von Indium durch gezielte Komplexbildung

Göthel, J.

Indium kann sekundärmetallurgisch aus der Prozessierung von Schlacken, Flugstäuben und metallischen Zwischenprodukten aus der Zinkdarstellung gewonnen werden. Eine weitere Möglichkeit der Indiumgewinnung stellt sich in der Aufbereitung von Rückständen des Bergbaus durch Biolaugungsprozesse dar. Höhere Konzentrationen an Eisen und Zink sind in den gewinnbaren Laugen im Vergleich zu sehr niedrigen Indiumkonzentrationen häufig präsent. Ein Trenn- und Aufbereitungsverfahren für die Verarbeitung von hydro-metallurgischen Prozesslösungen und die Gewinnung von Einsatzstoffen aus diesen wird durch Ionenaustauscherharze realisiert. Sowohl kationische als auch anionische feste Ionenaustauscherharze zeigen für Indium in sauren wässrigen Lösungen eine Affinität für die Indiumadsorption. Hinsichtlich der selektiven Adsorption von Indium gegenüber Eisen und Zink mittels festen Anionenaustauschern wurde der Einfluss der selektiven Komplexbildung von Indium durch die Zugabe von Iod in der Form von Kaliumiodid auf die Adsorption untersucht. Als Referenzsystem wurde die Indiumadsorption an festen Kationen-austauscherharzen gewählt. Die selektive Adsorption für Indium wurde aus einer vereinfachten Modelllösung der Biolaugungslösung des „ReMining“-Projektes hinsichtlich der Faktorgrößen des pH-Wertes, der Kaliumiodid- und Indiumadsorption im kleineren Maßstab im Becherglas untersucht. Die bestimmten Optima wurden auf die Prozessierung der realen Biolaugungslösung in Ionenaustauschersäulen angewandt. Indium kann in vergleichbaren quantitativen Mengen sowohl als anionischer Komplex ([InI4]-) von den getesteten Anionenaustauscherharzen A 111 und A 500 als auch von dem Kationenaustauscherharz MTS 9300 als Kation In3+ durch Adsorption aus der Modell- und Biolaugungslösung extrahiert werden. Beide Ionenaustauscher zeigen höchste Selektivitäten gegenüber Eisen, Arsen und Aluminium. Der Vergleich der Konzentrationsverhältnisse von Feed und dem Eluat zeigt, dass Eisen zu ~ 700 Mal mehr wie Indium (Fe/In = ~ 700) im Feed vorhanden ist und nach dem Ionenaustausch ~ 0,7 Mal so viel wie Indium (Fe/In = ~ 0,7) im Eluat verbleibt. Kupfer und Cadmium konnten von dem Anionenaustauscherharz A 111 nicht mit destilliertem Wasser und 0,1 M Schwefelsäure eluiert werden. In der Gesamtbetrachtung der selektiven Adsorption und Eluation von Indium aus der realen Biolaugungslösung ist das Kationenaustauscherharz MTS 9300 dem Anionenaustauscherharz A 111 vorzuziehen.

  • Diploma thesis
    TU Bergakademie Freiberg, 2020
    Mentor: Toni Helbig/Arite Werner

Publ.-Id: 32023

A bimodal soft electronic skin for tactile and touchless interaction in real time

Ge, J.; Wang, X.; Drack, M.; Volkov, O.; Liang, M.; Canon Bermudez, G. S.; Wang, C.; Zhou, S.; Faßbender, J.; Kaltenbrunner, M.; Makarov, D.

The transformative emergence of smart electronics, human-friendly robotics and supplemented or virtual reality will revolutionize the interplay with our surrounding. The complexity that is involved in the manipulation of objects in these emerging technologies is dramatically increased, which calls for electronic skins (e-skin) that can conduct tactile and touchless sensing events in a simultaneous and unambiguous way. Integrating multiple functions in a single sensing unit offers the most promising path towards simple, scalable and intuitive-to-use e-skin architectures. However, by now, this path has always been hindered by the confusing overlap of signals from different stimuli.
Here, we put forward the field of soft, flexible electronics by developing a compliant magnetic microelectromechanical platform (m-MEMS), which is able to transduce both tactile (via mechanical pressure) and touchless (via magnetic field) stimulations simultaneously and discriminate them in real time [1]. For the first time, the electric signals from tactile and touchless interactions are intrinsically separated into two different regions, allowing the m-MEMS, a single sensor unit, to unambiguously distinguish the two modes without knowing the signal history.
Owing to its intrinsic magnetic functionality, our complaint m-MEMS platform is able to discriminate magnetic vs. non-magnetic objects already upon touchless interaction. With this intrinsic selectivity, we address the long-standing problem in the field of touchless interaction – namely, the issue of interference with objects, which are irrelevant or even disturbing the interaction process. In addition, the interaction process is programmable. The sensitivity of the two interaction modes could be tuned by adjusting the magnetic field of the objects able to meet the requirements of different interaction tasks.
By using tactile and touchless sensing functions simultaneously, our m-MEMS e-skins enable complex interactions with a magnetically functionalized physical object that is supplemented with content data appearing in the virtual reality. We demonstrated data selection and manipulation with our m-MEMS e-skins leading to the realization of a multi-choice for augmented reality through three dimensional (3D) touch. Beyond the field of augmented reality, our m-MEMS will bring great benefits for healthcare, e.g. to ease surgery operations and manipulation of medical equipment, as well as for humanoid robots to overcome the challenging task of grasping.

[1] J. Ge, X. Wang, M. Drack, O. Volkov, M. Liang, G. S. Cañón Bermúdez, R. Illing, C. Wang, S. Zhou, J. Fassbender, M. Kaltenbrunner, and D. Makarov. A bimodal soft electronic skin for tactile and touchless interaction in real time. Nature Communications 10, 4405 (2019).

Keywords: flexible electronics; shapeable magnetoelectronics

  • Lecture (Conference) (Online presentation)
    2020 MRS Fall Meeting, 02.12.2020, Boston, USA

Publ.-Id: 32022

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