Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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41491 Publications

Geomorpho-tectonic evolution of the Jamaican restraining bend

Domínguez-González, L.; Andreani, L.; Stanek, K. P.; Gloaguen, R.

This work applies recent advances in tectonic geomorphology in order to understand the geomorphic evolution of the Jamaican restraining bend located along the Caribbean–Gonâve–North American plate boundary. We propose a classification of landscapes according to their erosional stages. The approach is mainly based on the combination of two DEM-based geomorphic indices: the hypsometric integral which highlights elevated surfaces, and the surface roughness which increases when the relief is incised by the drainage network. River longitudinal profiles were also analyzed as the drainage network responds quickly to base-level change triggered by external forcing such as tectonics. Anomalies in river profiles (knickpoints and convex segments) were mapped using stream length-gradient (SL) and normalized steepness (ksn) indices. The results provide new insights for understanding the complex evolution of the Jamaican restraining bend. Three main morphotectonic regions were identified in Jamaica: (1) the Blue Mountain–Wagwater unit located at the eastern tip of the island, (2) the Jamaican highlands plateau which covers most of the northern and central areas and (3) the tilted block province located along the southern part of Jamaica. Each region has a specific morphological signature which marks a different stage in the Late Miocene to present evolution of the Jamaican restraining bend. The evolution of the bend is mainly associated with the western propagation of major E-trending strike-slip faults and NW-trending thrusts. In the western and central parts of Jamaica the present-day motion between the Caribbean plate and the Gonâve microplate is broadly distributed along several structures, while in the easternmost part of the island this motion seems to be almost completely accommodated along the Blue Mountain range and the Plantain-Garden Fault.

Keywords: Jamaican restraining bend; Tectonic geomorphology; Geomorphic indices; Caribbean plate; North American plate; Gonâve microplate

Permalink: https://www.hzdr.de/publications/Publ-21079


Scale-Resolving Simulations for bubble columns

Ma, T.; Lucas, D.; Fröhlich, J.

This seminar presents detailed Euler-Euler Large Eddy Simulation and Scale-Adaptive Simulation of dispersed bubbly flow in different kinds of bubble columns. The main objective is to investigate the potential of these approaches for the prediction of bubbly flows with anisotropic liquid velocity fluctuations. The set of physical models describing the momentum exchange between the phases was chosen according to previous experiences of the authors. Experimental data are used for comparison. It was found that the presented modelling provides very good agreement with experimental data for the mean flow and the liquid velocity fluctuations. The energy spectra obtained from the simulations are presented and compared to the experimental spectra.

  • Lecture (Conference)
    East German Centre of Competence in Nuclear Technology, 04.12.2014, Zittau, Deuschland

Permalink: https://www.hzdr.de/publications/Publ-21078


Large Eddy Simulations for dispersed bubbly flows

Ma, T.; Lucas, D.

Die Untersuchungen zur Einbeziehung eines geeigneteren Turbulenzmodells für das GENTOP-Konzept wurden fortgesetzt. Der erste Schritt zur Untersuchung des Turbulenzanteils der nicht aufgelösten Blasen wurde durchgeführt. Es wurden Scale-Resolving Simulationen (hier, LES und SAS) auf unterschiedliche Blasensäulen gerechnet.

  • Lecture (Conference)
    HZDR PhD-Seminar, 07.-09.10.2014, Altenberg, Deuschland

Permalink: https://www.hzdr.de/publications/Publ-21077


Large Eddy Simulation of a bubble plume

Ma, T.; Ziegenhein, T.; Lucas, D.; Fröhlich, J.

The paper presents Euler-Euler Large Eddy Simulations (LES) of dispersed bubbly flow in a rectangular bubble column. The flow is characterized by a low Reynolds number. The set of physical models describing the momentum exchange between the phases was chosen according to previous experiences of the authors. The emphasis of the study is the analysis of bubbly flows concerning the investigation of the influence of the subgrid-scale model and the bubble induced turbulence model. It was found that the presented modelling combination provides good agreement with experimental data for the mean flow and liquid velocity fluctuations. The energy spectrum obtained from the resolved velocity is presented and discussed.

  • Book chapter
    Jochen Fröhlich, Stefan Odenbach, Konrad Vogeler: Strömungstechnische Tagung 2014 - Tagung anlässlich des 100. Geburtstags von Werner Albring, Dresden: TUDpress, 2014, 978-3-944331-78-2
  • Poster
    Strömungstechnische Tagung 2014, 10.10.2014, Dresden, Deuschland

Permalink: https://www.hzdr.de/publications/Publ-21076


X-ray structure of 2-(diphenylphosphano)phenyl-4-(hydroxymethyl)benzoate

Mamat, C.; Flemming, A.; Köckerling, M.

The title compound, C26H21O3P, was obtained as by-product due to the hydrolysis of the desired tosylated compound. The dihedral angles between the three aromatic rings attached to the P atom lie in the range 78.1 (1)–87.6 (1) . The hydroxymethyl group is disordered between two conformations in a 0.719 (9):0.281 (9) ratio. The hydroxy H atom is not involved in intermolecular interactions, while the hydroxy O atom serves as a donor for weak C-H...O hydrogen bonds, which link the molecules into chains propagating in [011].

Keywords: crystal structure; benzoate functionalized 2-(di­phenyl­phosphano)phenol derivative; hydrogen bonding

Involved research facilities

  • PET-Center

Permalink: https://www.hzdr.de/publications/Publ-21075


Experimental investigation of the influence of column scale, gas density and liquid properties on gas holdup in bubble columns

Rollbusch, P.; Becker, M.; Ludwig, M.; Bieberle, A.; Grünewald, M.; Hampel, U.; Franke, R.

Measurements of gas holdups in bubble columns of 0.16, 0.30 and 0.33 m diameter were carried out. These columns were operated in concurrent flow of gas and liquid phases and in semibatch mode. The column of 0.33 m diameter was operated at elevated pressures of up to 3.6 MPa. Nitrogen was employed as the gas phase and deionized water, aqueous solutions of ethanol and acetone and pure acetone and cumene as the liquid phase. The effects of differing liquid properties, gas density (due to elevated pressure), temperature, column diameter and superficial liquid velocity on gas holdup were studied. The gas holdup measurements were utilized by differential pressure measurements at different positions along the height of the bubble columns which allowed for the identification of axial gas holdup profiles. A decrease of gas holdup with increasing column diameter and an increase of gas holdup with increasing pressure was observed. The effect of a slightly decreasing gas holdup with increasing liquid velocity was found to be existent at smaller column diameters. The use of organic solvents as the liquid phase resulted in a significant increase in gas holdup compared to deionized water. It is found that published gas holdup models are mostly unable to predict the results obtained in this study.

Keywords: multiphase flow; bubble column; scale-up; gas density; organic solvents; coalescence

Involved research facilities

  • TOPFLOW Facility

Permalink: https://www.hzdr.de/publications/Publ-21074


Application of magnetically driven tornado-like vortex for stirring floating particles into liquid metal

Grants, I.; Räbiger, D.; Vogt, T.; Eckert, S.; Gerbeth, G.

A tornado-like liquid metal vortex is driven by magnetic body forces. A continuously applied rotating magnetic field provides source of the angular momentum. A pulse of a much stronger travelling magnetic field drives a converging flow that temporarily focuses this angular momentum towards the axis of the container. A highly concentrated vortex forms that produces a funnel-shaped surface depression. The ability of this vortex to entrain floating unwetted particles in liquid metal is investigated experimentally.

Keywords: Magnetic body force; Vortical flow; Metal matrix composite

  • Magnetohydrodynamics 51(2015)3, 419-424

Permalink: https://www.hzdr.de/publications/Publ-21073


Exploiting the material-specific current-voltage-pressure relationship of the reactive magnetron discharge for the growth of transparent conductive (Al,Ga):ZnO and Nb:TiO2

Cornelius, S.; Vinnichenko, M.; Möller, W.

Reactive magnetron sputtering is an attractive technique for the fabrication of transparent conductive oxide thin films, due to several advantages compared to other PVD methods. These include the scalability to large substrate areas and the use of cost efficient metallic alloy targets as well as
(pulsed) DC technology for plasma excitation. Besides these technological benefits reactive magnetron sputtering (MS) inherently offers great flexibility for the control of the film stoichiometry. In particular for transparent conductive oxide (TCO) materials, the precise control of the oxygen deficiency of the layers is of utmost importance to achieve the desired electrical and optical properties.
The present work demonstrates that the material-specific shape of the current-voltage-pressure relationship of the reactive magnetron discharge may be used to tailor the electrical and optical properties of transpar-ent conductors by controlling the metal to oxygen flux ratio towards the growing film. It is shown that two groups of metals with distinctly different reactive behavior in Ar/O2 magnetron plasmas exist. Consequently, the reactive process control must be adapted in a material-specific way in order to stabilize the reactive discharge in the transition mode. This enables both control of oxygen deficiency as well as high film growth rates. In contrast to conventional reactive MS operation schemes like optical plasma emission to oxygen flow feedback, in this work an alternative technique is explained which allows controlling the oxygen partial pressure without changing the oxygen gas flow. The effect is based on the interplay of changes in secondary electron emission and sputter yield at the (partially) oxidized sputter target surface in conjunction with the internal reactive gas gettering effect of the MS setup itself.
Model experiments for the reactive magnetron sputter deposition of transparent conductive (Al,Ga) doped ZnO and Nb doped TiO2 layers are presented in detail. The effect of oxygen deficiency induced by exploiting the current-voltage-pressure relationship on the electrical and optical film properties will be discussed. The results demonstrate that the proposed method of reactive MS control is suitable to prepare high quality transparent conductive oxide thin films. Crucial parameters for TCO performance like free electron mobility and dopant activation are found to be highly dependent on oxygen to metal flux ratio during growth.

Keywords: physical vapor deposition; reactive magnetron sputtering; transparent conductive oxide; ZnO; TiO2

Involved research facilities

Related publications

  • Poster
    5th International Symposium on Transparent Conductive Materials, 12.-17.10.2014, Chania, Crete, Greece
  • Poster
    14th International Conference on Plasma Surface Engineering, 15.-19.09.2014, Garmisch-Partenkirchen, Germany

Permalink: https://www.hzdr.de/publications/Publ-21072


Interplay of phase formation, oxygen deficiency, dopant activation and charge transport in Nb doped TiO2 prepared by reactive pulsed magnetron sputtering

Cornelius, S.; Vinnichenko, M.; Möller, W.; Potzger, K.

Intense research on TiO2 as a transparent conductor material was triggered less than ten years ago by a series of breakthrough publications demonstrating a combination of resistivity below
5x10-4 Ωcm and average visible transmittance above 80% for Nb doped anatase phase TiO2 thin films [1]. Scientific as well as commercial interest in transparent conducting TiO2 is further driven by the prospective additional functionality and low production costs due to the exceptionally high refractive index, the chemical inertness and the very high abundance of TiO2 compared to the conventional transparent conductive oxides (TCOs). Early experiments were focused on pulsed laser deposition (PLD) on single crystalline substrates resulting in record free electron mobilities of up to ~25 cm²/Vs in epitaxial anatase layers [1,2]. However, neither the PLD technique nor epitaxial substrates are suitable for typical large area TCO applications. Consequently, the investigations were extended to magnetron sputter (MS) deposition and low-cost glass substrates. Here, the main focus was put on radio-frequency MS [3] and more recently on direct current MS [4] using (electrically conductive) oxygen deficient ceramic sputter targets. After initial reports on poor electron mobilities of ~1cm²/Vs in sputtered TiO2 films directly grown onto heated amorphous (glass) sub-strates, it was soon realized that controlling the crystallization from the amorphous state, the suppression of the rutile phase formation and the extrinsic doping level in conjunction with the oxygen deficiency are crucial to obtain high quality TiO2 based TCO layers. However, there are several drawbacks associated with sputtering from ceramic targets such as limited variability of the oxygen deficiency, low growth rates and higher material costs compared to metallic targets.
Therefore, this contribution is aimed at understanding the influence of the oxygen deficiency and the phase composition on the electrical and optical film properties of Nb:TiO2 prepared by pulsed direct current MS of TiNb alloy targets in Ar/O2 atmosphere. For this purpose, three routes for film preparation, including direct growth at elevated substrate temperatures, post deposition annealing of amorphous layers and epitaxial growth on SrTiO3(100), are investigated. A non-conventional process stabilization method based on the material specific current-voltage-pressure characteristics of the reactive MS discharge is employed to obtain high growth rates as well as precisely tunable oxygen partial pressures in the so-called transition mode. This approach enables the investigation of the effect of the oxygen deficiency on the crystallization of amorphous films during annealing, the Nb dopant activation (Rutherford Backscattering), the phase composition (X-ray diffraction), the charge transport (Hall Effect) and the optical properties of the Nb:TiO2 films. Using spectroscopic ellipsometry together with spectral photometry, an optical model of the dielectric function of Nb:TiO2 with different crystalline structure and conductivity is established. Moreover, charge transport in degenerately doped anatase TiO2 films will be discussed in the framework of a unified charge transport model including optical phonon scattering, ionized impurity scattering and grain boundary effects. Implications for the maximum achievable electron mobility in polycrystalline anatase TiO2 films are derived from a comparison of transport data of epitaxial and polycrystalline thin films, revealing the crucial role of the highly anisotropic effective electron mass.

Keywords: physical vapor deposition; reactive magnetron sputtering; transparent conductive oxide; TiO2; charge transport; charge carrier mobility

Involved research facilities

Related publications

  • Lecture (Conference)
    5th International Symposium on Transparent Conductive Materials, 12.-17.10.2014, Chania, Crete, Greece
  • Poster
    TCO 2014 - Transparent Conductive Oxides - Fundamentals and Applications, 29.09.-02.10.2014, Leipzig, Germany

Permalink: https://www.hzdr.de/publications/Publ-21071


Limits to charge transport and electrical dopant activation in transparent conductive (Al,Ga):ZnO prepared by reactive pulsed magnetron sputtering

Cornelius, S.; Vinnichenko, M.; Möller, W.; Munnik, F.

Degenerately doped ZnO is a highly promising material for applications as transparent electrode (TE) in a variety of modern opto-electronic applications. All of them have in common that the TE material should be highly conductive and transparent at the same time. However, both properties cannot be improved simultaneously due to the optical absorption caused by the free charge carriers. Therefore, a well accepted strategy of materials design is the improvement of the free electron mobility resulting in both decreased resisitivity and enhanced near-infrared transmittance. The present work discusses the limitations to the charge carrier mobility in Al and Ga doped ZnO thin films prepared by reactive magnetron sputtering.
The dominant scattering mechanisms are identified by comparison of experimental data to different charge transport models. A systematic study covering a wide range of dopant concentrations and deposition conditions allows to estimate a material limit for the minimum resisitivity of transparent conductive zinc oxide. It is shown that this limit may be reached by a proper choice of depositions conditions during reactive magnetron sputtering – demonstrating the potential of the method for practical applications. Further, it is shown that electron scattering caused by the incorporation of the Al and Ga dopant into the ZnO host lattice is one of the main limitations for the electron mobility.
Therefore, the effective dopant activation in ZnO is quantified by a combination of electrical, optical and ion-beam analysis characterization methods. Possible mechanisms leading to the deactivation of the dopant at high growth temperatures are discussed. It is demonstrated that Ga is a more efficient electron donor than Al, confirming theoretical predictions on the point defect formation energetics in ZnO.

Keywords: physical vapor deposition; reactive magnetron sputtering; transparent conductive oxide; ZnO; charge transport; charge carrier mobility

Involved research facilities

Related publications

  • Lecture (Conference)
    14th International Conference on Plasma Surface Engineering, 15.-19.09.2014, Garmisch-Partenkirchen, Germany

Permalink: https://www.hzdr.de/publications/Publ-21069


Speciation studies of uranyl(VI) using combined theoretical and luminescence spectroscopic methods

Drobot, B.; Steudtner, R.; Raff, J.; Brendler, V.; Geipel, G.; Tsushima, S.

Continuous wave luminescence spectra of uranyl(VI) hydrolysis were analyzed using parallel factor analysis (PARAFAC). Distribution patterns of five major species were thereby derived under a fixed uranyl concentration (10-5 M) over a wide pH range from 2 to 11. UV (180 nm to 370 nm) excitation spectra were extracted for individual species. Time-dependent density functional theory (TD-DFT) calculations revealed ligand excitation (water, hydroxo, oxo) in this region and ligand-to-metal charge transfer responsible for luminescence. Thus excitation in the UV is extreme ligand sensitive and highly specific.

  • Poster
    Advanced Techniques in Actinide Spectroscopy 2014 (ATAS 2014), 03.-07.11.2014, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21067


Risk management in companies - a questionnaire as an instrument for analysing the the present situation

Stiller, D.; Joehnk, P.

The topic risk management receives new impulses in the context of the financial and economic crisis in the years 2007 until 2011 as well as the question whether companies took consequences. The article briefly describes the importance of risk management and then explained the theoretical principles of empirical methods. Excerpts from developed questionnaire will be presented.

Keywords: Industrial management; risk management; ermirical research; qualitative and quantitative survey

  • Open Access Logo Contribution to proceedings
    International Doctoral Seminar 2014, 19.-21.05.2014, Zielona Gora, Poland
    Research Papers Faculty of Materials Science and Technology in Trnava, Vol. 22, 83-88
  • Lecture (Conference)
    International Doctoral Seminar 2014, 19.-21.05.2014, Zielona Gora, Poland

Permalink: https://www.hzdr.de/publications/Publ-21065


Abundance of live 244Pu in deep-sea reservoirs on Earth points to rarity of actinide nucleosynthesis

Wallner, A.; Faestermann, T.; Feige, J.; Feldstein, C.; Knie, K.; Korschinek, G.; Kutschera, W.; Ofan, A.; Paul, M.; Quinto, F.; Rugel, G.; Steier, P.

Half of the heavy elements including all actinides are produced in r-process nucleosynthesis, whose sites and history remain a mystery. If continuously produced, the Interstellar Medium is expected to build up a quasi-steady state of abundances of short-lived nuclides (with half-lives ≤100My), including actinides produced in r-process nucleosynthesis. Their existence in today’s Interstellar Medium would serve as a radioactive clock and would establish that their production was recent. In particular 244Pu, a radioactive actinide nuclide (81My half-life), can place strong constraints on recent r-process frequency and production yield. Here we report the detection of live interstellar 244Pu, archived in Earth’s deep-sea floor during the last 25My, at abundances lower than expected from continuous production in the Galaxy by about two orders of magnitude. This large discrepancy may signal a rarity of actinide r-process nucleosynthesis sites, compatible with neutron-star mergers or with a small subset of actinide-producing supernovae.

Permalink: https://www.hzdr.de/publications/Publ-21064


Coherent and nonlinear terahertz spectroscopy of low-dimensional semiconductors with a free-electron laser

Schneider, H.

This talk reviews recent experimental studies carried out using the mid-infrared and terahertz (THz) free-electron laser (FEL) facility FELBE in Dresden, Germany. Its intense, nearly transform-limited picosecond pulses, which can also be combined with synchronous pico- or femtosecond pulses from near-infared tabletop lasers, provide unique research opportunities to advance our knowledge on the interaction of mid-infrared and THz fields with materials and devices.

Keywords: terahertz spectroscopy; free-electron laser

Involved research facilities

Related publications

  • Invited lecture (Conferences)
    7th International Symposium on Ultrafast Phenomena and Terahertz Waves (ISUPTW 2014), 13.-14.10.2014, Shanghai, China

Permalink: https://www.hzdr.de/publications/Publ-21063


Dark current mechanism of terahertz quantum-well photodetectors

Jia, J. Y.; Gao, J. H.; Hao, M. R.; Wang, T. M.; Shen, W. Z.; Zhang, Y. H.; Cao, J. C.; Guo, X. G.; Schneider, H.

Dark current mechanisms of terahertz quantum-well photodetectors (THz QWPs) are systematically investigated experimentally and theoretically by measuring two newly designed structures combined with samples reported previously. In contrast to previous investigations, scattering-assisted tunneling dark current is found to cause significant contributions to total dark current. A criterion is also proposed to determine the major dark current mechanism at different peak response frequencies. We further determine background limited performance (BLIP) temperatures, which decrease both experimentally and theoretically as the electric field increases. This work gives good description of dark current mechanism for QWPs in the THz region and is extended to determine the transition fields and BLIP temperatures with response peaks from 3 to 12 THz.

Keywords: terahertz quantum-well photodetector; dark current; GaAs/AlGaAs

Permalink: https://www.hzdr.de/publications/Publ-21062


A route toward the development of 3D magnetic scaffolds with tailored mechanical and morphological properties for hard tissue regeneration: preliminary study

de Santis, R.; Gloria, A.; Russo, T.; D'Amora, U.; Zeppetelli, S.; Tampieri, A.; Herrmannsdörfer, T.; Ambrosio, L.

A basic approach toward the design of three-dimensional (3D) rapid prototyped magnetic scaffolds for hard-tissue regeneration has been proposed. In particular, 3D scaffolds consisting of a poly(ε-caprolactone) (PCL) matrix and iron oxide (Fe3O4) or iron-doped hydroxyapatite (FeHA) nanoparticles were fabricated through a 3D fibre deposition technique. As a first approach, a polymer to nanoparticle weight ratio of 90/10 (wt/wt) was used. The effect of the inclusion of both kinds of nanoparticles on the mechanical, magnetic, and biological performances of the scaffolds was studied. The inclusion of Fe3O4 and FeHA nanoparticles generally improves the modulus and the yield stress of the fibres if compared to those of neat PCL, as well as the modulus of the scaffolds. Micro-computed tomography has confirmed the possibility to design morphologically-controlled structures with a fully interconnected pore network. Magnetisation analyses performed at 37°C have highlighted M-H curves that are not hysteretic; values of saturation magnetisation (Ms) of about 3.9 emu/g and 0.2 emu/g have been evaluated for PCL/Fe3O4 and PCL/FeHA scaffolds, respectively. Furthermore, results from confocal laser scanning microscopy (CLSM) carried out on cell-scaffold constructs have evidenced that human mesenchymal stem cells (hMSCs) better adhered and were well spread on the PCL/Fe3O4 and PCL/FeHA nanocomposite scaffolds in comparison with the PCL structures.

Involved research facilities

  • High Magnetic Field Laboratory (HLD)

Permalink: https://www.hzdr.de/publications/Publ-21061


Sample preparation of cosmogenic nuclides apart from C-14

Merchel, S.

invited talk - no abstract

Keywords: AMS; sample preparation

Involved research facilities

Related publications

  • Invited lecture (Conferences)
    Cosmogenic nuclide dating workshop at the 14C Dating Centre, 06.11.2014, Aarhus, Danmark

Permalink: https://www.hzdr.de/publications/Publ-21060


A basic approach toward the development of nanocomposite magnetic scaffolds for advanced bone tissue engineering

de Santis, R.; Gloria, A.; Russo, T.; D'Amora, U.; Zeppetelli, S.; Dionigi, C.; Sytcheva, A.; Herrmannsdörfer, T.; Dediu, V.; Ambrosio, L.

Magnetic scaffolds for bone tissue engineering based on a poly(e-caprolactone) (PCL) matrix and iron oxide (Fe3O4) magnetic nanoparticles were designed and developed through a three-dimensional (3D) fiber-deposition technique. PCL/Fe3O4 scaffolds were characterized by a 90/10 w/w composition. Tensile and magnetic measurements were carried out, and nondestructive 3D Imaging was performed through microcomputed tomography (Micro-CT). Furthermore, confocal analysis was undertaken to investigate human mesenchymal stem cell adhesion and spreading on the PCL/Fe3O4 nanocomposite fibers. The results suggest that nanoparticles mechanically reinforced the PCL matrix; the elastic modulus and the maximum stress increased about 10 and 30%, respectively. However, the maximum strain decreased about 50%; this suggested an enhanced brittleness. Magnetic results evidenced a superparamagnetic behavior for these nanocomposite scaffolds. Micro-CT suggested an almost uniform distribution of nanoparticles. Confocal Analysis highlighted interesting results in terms of cell adhesion and spreading. All of these results show that a magnetic feature could be incorporated into a polymeric Matrix that could be processed to manufacture scaffolds for advanced bone tissue engineering and, thus, provide new opportunity in terms of scaffold fixation and functionalization.

Involved research facilities

  • High Magnetic Field Laboratory (HLD)

Permalink: https://www.hzdr.de/publications/Publ-21059


Nuklearchemie Forschung & Perspektiven

Fachgruppe Nuklearchemie in der Gesellschaft Deutscher Chemiker; Merchel, S.; Steinbach, J.

Die Fachgruppe Nuklearchemie in der Gesellschaft Deutscher Chemiker repräsentiert die Wissenschaftler* und Ingenieure, die bei ihren Arbeiten mit radioaktiven Stoffen und ionisierender Strahlung umgehen und diese für Zwecke der Forschung, Industrie, Medizin und Lehre nutzen.
Die Tätigkeiten ihrer Mitglieder reichen von den rein grundlagenwissenschaftlichen Gebieten der Chemie radioaktiver Stoffe, wie den schwersten synthetischen Elementen über nuklearchemische Aspekte der Kernenergienutzung bis hin zur Verwendung von Radionukliden in den Lebens und Umweltwissenschaften. Die Nuklearchemie umfasst die Bereiche der Kern-, Radio- und Strahlenchemie.
In ihrer mehr als 100-jährigen Geschichte, die mit der Entdeckung der Radioaktivität und der Radioelemente, hat die Nuklearchemie mit bahnbrechenden Entdeckungen, mit der Einführung bedeutender neuer Arbeitsmethoden und mit einer Vielzahl von innovativen wissenschaftlichen und technischen Anwendungen die Entwicklung der modernen Industriegesellschaft beeinflusst. In der öffentlichen Wahrnehmung werden jedoch nuklearchemische Arbeiten überwiegend der nuklearen Energiegewinnung und dem nuklearen Brennstoffkreislauf zugeordnet – Themen, die in der Öffentlichkeit sehr kontrovers diskutiert werden. Diese Bereiche stellen nach wie vor bedeutende Themen für die Nuklearchemie dar.
Entsprechend der vielfältigen Möglichkeiten und der Fortentwicklung von Wissenschaft und Technik haben sich aber seit langem weitere Schwerpunkte herausgebildet, die ebenfalls von großer grundlegender, gesellschaftlicher, ökologischer und ökonomischer Relevanz sind. Nuklearchemische Therapie- und Diagnoseverfahren sind beispielsweise aus den Lebenswissenschaften und der Medizin nicht mehr wegzudenken. Nuklearchemiker untersuchen die Elementsynthese in Sternen, sie erforschen die Struktur von Atomkernen, erzeugen die schwersten Elemente jenseits des Urans, die alle radioaktiv sind, und untersuchen deren chemische und physikalische Eigenschaften.
Sie treibt unter anderem die Suche nach dem Verständnis an, was die Materie im Innersten zusammenhält.
Das breite Spektrum nuklearchemischer Methoden macht deren Einsatz auch für ganz andere Sparten interessant: Auch in der Geologie, der Hydrologie, der Umweltforschung,
dem Strahlenschutz oder der nuklearen Forensik kommt man nicht ohne das Handwerkszeug der Nuklearchemie aus.
Die vorliegende Broschüre soll einen Einblick in die vielfältigen Themen und Arbeitsfelder nuklearchemischer Forschung und Anwendung geben, die in den folgenden
Schwerpunkten zusammengefasst werden können:
-Grundlagenforschung
-Chemie der schwersten Elemente
-Actinidenchemie
-Kosmochemie
-Radioanalytik
-Gesundheit und Umwelt
-Nuklearchemie in den Lebenswissenschaften (Radiopharmazie)
-Isotopengeochemie
-Strahlenschutz und Radioökologie
-Nukleare Forensik
-Energie
-Partitioning & Transmutation
-Endlagerforschung
-Reaktorchemie
-Tritiumchemie
-Lehre, Ausbildung und Kompetenzerhalt

Keywords: fundamental research; heavy elements; actinides; cosmochemistry; radioanalytics; health; environment; nuclear chemistry; life sciences; radiopharmacy; geochemistry; isotopes; radioecology; radiation safety; nuclear forensics; energy; partitioning; transmutation; nuclear waste disposal; nuclear reactor; tritium

  • Other report
    Frankfurt am Main: Herausgeber: Gesellschaft Deutscher Chemiker e.V. (GDCh), 2015
    25 Seiten

Permalink: https://www.hzdr.de/publications/Publ-21058


The effect of natural and forced melt convection on dendritic solidification in Ga-In alloys

Shevchenko, N.; Roshchupkina, O.; Sokolova, O.; Eckert, S.

The directional solidification of Ga–25wt%In alloys within a Hele-Shaw cell was visualized by means of X-ray radioscopy. The experimental investigations are especially focused on the impact of melt convection on the dendritic growth. Natural convection occurs during a bottom up solidification because lighter solute is rejected at the solid-liquid interface leading to an unstable density stratification. Forced convection was produced by a rotating wheel with two parallel disks containing at their inner sides a set of permanent NdFeB magnets with alternating polarization. The direction of forced melt flow is almost horizontal at the solidification front whereas local flow velocities in the range between 0.1 and 1.0 mm/s were achieved by controlling the rotation speed of the magnetic wheel. Melt flow induces various effects on the grain morphology primarily caused by the convective transport of solute. Our observations show a facilitation of the growth of primary trunks or lateral branches, suppression of side branching, dendrite remelting and fragmentation. The manifestation of all phenomena depends on the dendrite orientation, local direction and intensity of the flow. The forced flow eliminates the solutal plumes and damps the local fluctuations of solute concentration. It provokes a preferential growth of the secondary arms at the upstream side of the primary dendrite arms, whereas the high solute concentration at the downstream side of the dendrites can inhibit the formation of secondary branches completely. Moreover, the flow changes the inclination angle of the dendrites and the angle between primary trunks and secondary arms.

Keywords: X-ray radioscopy; in situ studies; melt convection; directional solidification; forced convection; dendritic growth

Permalink: https://www.hzdr.de/publications/Publ-21057


Partialoxidation von Isobutan

Willms, T.

Im Rahmen des Helmholtz-Energy-Allianz-Projektes „Energieeffiziente chemische Mehrphasenprozesse“ wird das Potential der Energieeffizienzverbesserung der partiellen Oxidation von Isobutan mit Sauerstoff bzw. Luft zu tert.-Butylhydroperoxid (TBHP) angesichts der Technologie mikrostrukturierter Reaktoren evaluiert. Zur Untersuchung der Zusammensetzung des Reaktionsgemisches wird eine gaschromatographische Methode entwickelt, die es ermöglicht, die laut Literatur im Reaktionsgemisch oder aus der Zersetzung von TBHP zu erwartenden flüssigen Substanzen (TBHP, di-t-Butylperoxid (DTBP), t-Butanol, Methanol, Azeton, Ameisensäure, Isobutylenoxid, Methylethylketon, Isobutanol) sowie zahlreiche andere Komponenten wie Lösungsmittel (Acetonitril, Hexan, Ethanol, Dioxan, Dekan), potentielle interne Standards (Methyl-t-Butylether) sowie weitere Substanzen (Hexanol, Essigsäure) zu trennen. Des Weiteren können auch die zu erwartenden gasförmigen Substanzen (Sauerstoff, Stickstoff, Isobutan, Kohlenmonoxid, Kohlendioxid, Methan, Isobuten) getrennt werden. Dazu wird eine STABILWAX-Säule verwendet, die mittels eines Switch sowohl mit einer Molsiebsäule als auch mit dem Massenspektrometer (MS) verbunden ist. Im Falle der Trennung von flüssigen Produkten wird das Gas durch einen geeigneten Befehl an den Switch nur ins MS geleitet. Zur Trennung der Gase wird der Gasstrom die ersten paar Minuten über die Molsiebsäule geleitet und die getrennten Permanentgase Stickstoff, Sauerstoff, Kohlenmonoxid und Kohlendioxid) über einen Wärmeleitfähigkeitsdetektor detektiert. Die restlichen Gase werden über die STABILWAX -Säule getrennt und dann mittels des MS detektiert.

In the frame of the Helmholtz-Energy-Alliance project “Energy efficient chemical multiphase processes“ the potential to improve the energy efficiency of the partial oxidation of isobutane by oxygene and air to t-Butyl hydroperoxide in view of the technology of microstructured reactors is evaluated.
To investigate the composition of the reaction mixture a gaschromatographic method has been developed, which is able to separate the substances expected according to literature in the reaction mixture or due to the decomposition of TBHP (TBHP, di-t-Butyl peroxide (DTBP), t-butanol, methanol, acetone, formic acid, Isobutylen oxide, Methylethyl ketone, Isobutanol) as well as numerous other compounds like solvents (acetonitrile, ethanol, dioxane, decane), potential internal standards (Methyl-t-butyl ether) as well as further substances (hexanol, acetic acid). Furthermore, also the expected gaseous substances (oxygen, nitrogen, isobutane, carbon monoxide, methane, carbon dioxide, isobutene) can be separated. To achieve this a STABILWAX column is used, which can be connected either to a mol sieve column or the mass spectrometer. In case of the separation of liquid products, the gas flow will only be separated by the STABILWAX column and conducted to the mass spectrometer by an adequate command to the switch. To separate gases, the gas flow is conducted within the first minutes to the molsieve column and the separated permanent gases (oxygen, nitrogen, isobutane, carbon monoxide, methane) are detected by a thermal conductivity detector. The other gases are detected by the mass spectrometer.

Keywords: gas chromatography; GC-MS; isobutane oxidation; reaction products; t-butyl hydroperoxide

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Permalink: https://www.hzdr.de/publications/Publ-21056


Organotypical vascular model for characterization of radioprotective compounds: Studies on antioxidant 2,3-diaryl-substituted indole-based cyclooxygenase-2 inhibitors

Ullm, S.; Laube, M.; Bechmann, N.; Knieß, T.; Pietzsch, J.

Radiotherapy of various cancers is closely associated with increased cardiovascular morbidity and mortality. Arachidonic acid metabolites are supposed to play a key role in radiation-induced vascular dysfunction. This study was designed to evaluate the effects of novel, antioxidative 2,3-diaryl-substituted indole-based selective cyclooxygenase-2 (COX-2) inhibitors (2,3-diaryl-indole coxibs) on radiation-induced formation of arachidonic acid metabolites via COX-2 and oxidant stress pathways in an organotypical vascular model of rat aortic rings. Acute and subacute effects of X-ray radiation (4 and 10 Gy; 1 and 3 days post irradiation) with or without the presence of 1 µM of the 2,3-diaryl-indole coxib 2-[4-(aminosulfonyl)phenyl]-3-(4-methoxyphenyl)-1H-indole (C1) or celecoxib as reference compared to sham-irradiated controls were assessed. The following parameters were measured: metabolic activity of the aortic rings; induction and regulation of COX-2 expression; release of prostaglandin E2 and F2alpha-isoprostane. Irradiation without presence of coxibs resulted in a dose-dependent augmentation of all parameters studied. When aortic rings were exposed to the 2,3-diaryl-indole coxib 1 h before irradiation, metabolic activity was restored and the release of both prostaglandin and isoprostane was inhibited. The latter indicates a direct interaction with oxidant stress pathways. By contrast, celecoxib exhibited only slight effects on the formation of isoprostane. The reduction of radiation-induced vascular dysfunction by antioxidative coxibs may widen the therapeutic window of COX-2 targeted treatment.

Keywords: Aortic ring model; coxibs; prostanoids; normal tissue damage; radiation therapy; adjuvant radioprotective therapy; cardiovascular disease

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  • PET-Center

Permalink: https://www.hzdr.de/publications/Publ-21055


Role of Mn in a Magnetic Semiconductor: InMnP

Khalid, M.; Weschke, E.; Hübner, R.; Baehtz, C.; Skorupa, W.; Helm, M.; Zhou, S.

The manganese induced magnetic, electrical and structural modification in InMnP epilayers, prepared by Mn ion implantation and pulsed laser annealing, are investigated in the following work. All samples exhibit clear hysteresis loops and strong spin polarization at the Fermi level. The degree of magnetization, the Curie temperature and the spin polarization depend on the Mn concentration. The bright-field transmission electron micrographs show that InP samples become almost amorphous after Mn implantation but recrystallize after pulsed laser annealing. We did not observe an insulator-metal transition in InMnP up to a Mn concentration of 5 at.%. Instead all InMnP samples show insulating characteristics up to the lowest measured temperature. Magneotresistance results obtained at low temperatures support the hopping conduction mechanism in InMnP. We find that the Mn impurity band remains detached from the valence band in InMnP up to 5 at.% Mn doping. Our findings indicate that the local environment of Mn ions in InP is similar to GaMnAs, GaMnP and InMnAs, however, the electrical properties of these Mn implanted III-V compounds are different. This is one of the consequences of the different Mn binding energy in these compounds.

Keywords: III-V magnetic semiconductors

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  • Poster
    Moscow International Symposium on Magnetism MISM-2014, 29.06.-03.07.2014, Moscow, Russia

Permalink: https://www.hzdr.de/publications/Publ-21054


Extremely High Energy Density Deposition by Heavy Polyatomic Ion Impacts – Surface Nanopatterning and Frozen Phase Diagram Pathways

Böttger, R.; Heinig, K.-H.; Bischoff, L.; Anders, C.; Urbassek, H. M.; Hübner, R.; Liedke, B.

Bi and Au ions of a few tens of keV deposit a high energy density into the collision cascade volume of due to (i) their high mass and (ii) their low projected range. At higher energies, this density becomes diluted as the cascade volume increases super-linearly with ion energy.
Compared to monatomic ions, polyatomic ions deposit a much higher energy density. This is sufficient to form a pool of a localized, almost classical melt in a semiconductor surface lasting up to half of a nanosecond. Local melting and resolidification by single polyatomic ion impacts is proven by molecular dynamics calculations.
Well-ordered, self-organized dot patterns on Si and Ge surfaces have been found after heavy polyatomic ion irradiation, which can be attributed to the impact-induced local transient melting. The kinetics of localized melt pools leads to a generic, Bradley-Harper-type partial differential equation for the surface evolution. Whereas so far the mechanisms of ion-induced surface pattern evolution are assumed to be surface curvature dependent ion erosion or ion-momentum-induced mass drift of surface atoms, for heavy polyatomic ions we have identified a completely different mechanism.
The local melting and quenching process is so far from equilibrium that particularities of phase diagrams like the Bi state in Si or Ge are frozen into the nanostructure of the resolidified volume. This opens the possibility to study extremely fast solid-liquid phase transitions.

Keywords: self-organization; nanopatterning; polyatomic ions; energy deposition

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  • Lecture (Conference)
    Workshop Ionenstrahlen & Nanostrukturen, 20.-22.07.2014, Paderborn, Deutschland
  • Lecture (Conference)
    19th International Conference on Ion Beam Modification of Materials, 14.-19.09.2014, Leuven, Belgium

Permalink: https://www.hzdr.de/publications/Publ-21053


Experimente mit schnellen Neutronen an der Flugzeit-Anlage nELBE

Beyer, R.

Beschreibung der verschiedenen bisher an der Neutronen-Flugzeit-Anlage nELBE durchgeführten Experimente.

Keywords: nELBE; neutron time-of-flight; transmission; inelastic scattering; fission

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  • Invited lecture (Conferences)
    Fachbereichsseminar, 19.09.2014, Braunschweig, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21052


Frequency-Domain Magnetic Resonance—Alternative Detection Schemes for Samples at the Nanoscale

Möller, M.; Lenz, K.; Lindner, J.

Magnetic Resonance in the frequency domain provides a tool to investigate and quantitatively measure many important magnetic key parameters, such like the effective magnetization, magnetic anisotropies, magnetic damping parameters or coupling field strengths. Although it has been widely employed for studying magnetic bulk and thin film samples, the sensitivity of this classical method often suffers from being too low when single nanostructures are of interest. This review discusses Magnetic Resonance as technique, providing an introduction also to non-experts in the field. The theoretical background is discussed on an ‘easy to read’ basis, followed by a brief summary of methods that are capable of investigation spin dynamics within single nanostructures (nearfield microscopy, Brillouin Light Scattering, time-resolved Magneto-optical Kerr-effect). Focusing on frequency-domain approaches we then give a detailed explanation of what we call conventional way of experimentally detecting Magnetic Resonance which is based on the use of microwave cavities. This serves a basis to discuss different approaches to enhance sensitivity within a frequency-domain Magnetic Resonance experiment. As shown this includes either improving the conventional setup itself (microresonators) or using alternative detection routes, such as optical or electrical detection.

Keywords: FMR; ferromagnetic resonance; Kerr effect; MOKE; Microresonators; Magnetism; Magnetic nanostructures

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Permalink: https://www.hzdr.de/publications/Publ-21051


Magnetic Bioinspired Hybrid Nanostructured Collagen - Hydroxyapatite Scaffolds Supporting Cell Proliferation and Tuning Regenerative Process

Tampieri, A.; Iafisco, M.; Sandri, M.; Panseri, S.; Cunha, C.; Sprio, S.; Savini, E.; Uhlarz, M.; Herrmannsdörfer, T.

A bioinspired mineralization process was applied to develop biomirnetic hybrid scaffolds made of (Fe2+/Fe3+)-doped hydroxyapatite nanocrystals nucleated on self-assembling collagen fibers and endowed with super-paramagnetic properties, minimizing the formation of potentially cytotoidc magnetic phases such as magnetite or other iron oxide phases. Magnetic composites were prepared at different temperatures, and the effect of this parameter on the reaction yield in terms of mineralization degree, morphology, degradation, and magnetization was investigated. The influence of scaffold properties on cells was evaluated by seeding human osteoblast-like cells on magnetic and nonmagnetic materials, and differences in terms of viability, adhesion, and proliferation were studied. The synthesis temperature affects mainly the chemical-physical features of the mineral phase of the composites influencing the degradation, the microstructure, and the magnetization values of the entire scaffold and its biological performance. In vitro investigations indicated the biocompatibility of the materials and that the magnetization of the super-paramagnetic scaffolds, induced applying an external static magnetic field, improved cell proliferation in comparison to the nonmagnetic scaffold.

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  • High Magnetic Field Laboratory (HLD)

Permalink: https://www.hzdr.de/publications/Publ-21050


Quantitative molecular plating of large-area 242Pu Targets with improved layer properties

Vascon, A.; Runke, J.; Trautmann, N.; Cremer, B.; Eberhardt, K.; Düllmann, C. E.

For measurements of the neutron-induced fission cross section of 242Pu, large-area (42 cm2) 242Pu targets were prepared on Ti-coated Si wafers by means of constant current density molecular plating. Radiochemical separations were performed prior to the platings. Quantitative deposition yields (495%) were determined for all targets by means of alpha-particle spectroscopy. Layer densities in the range of 100–150 μg/cm2 were obtained. The homogeneity of the targets was studied by radiographic imaging.
A comparative study between the quality of the layers produced on the Ti-coated Si wafers and the quality of layers grown on normal Ti foils was carried out by applying scanning electron microscopy and energy dispersive X-ray spectroscopy. Ti-coated Si wafers resulted clearly superior to Ti foils in the production of homogeneous 242Pu layers with minimum defectivity.

Keywords: 242Pu Large-area targets; Molecular plating; Quantitative deposition yield

Permalink: https://www.hzdr.de/publications/Publ-21049


Thermal properties of point defects and their clusters in bcc Fe

Devaraj, M.; Posselt, M.; Schiwarth, M.

Ferritic Fe and Fe-Cr alloys are basic structural materials of present and future nuclear fission and fusion reactors. The formation of the micro- and nanostructure of these alloys and the structural evolution under irradiation is essentially influenced by the interaction between solutes, vacancies and self-interstitials. These processes take place in different alloys such as reactor-pressure-vessel and oxide-dispersion-strengthened steels. The understanding of the nanostructure of those materials and of its radiation-induced evolution is indispensable for nuclear reactor safety. First-principle calculations based on the Density Functional Theory (DFT) are a very useful method to get atomistic insights into the interactions between solutes, vacancies and self-interstitials in bcc Fe. Traditionally, formation and binding energies of these species are investigated at T=0 and these data are further used in calculations on larger length and time scales such as in kinetic Monte Carlo simulations and Rate Theory.
The main objective of present work is the determination of the temperature-dependent free formation and binding energy of selected point defects and their clusters in bcc Fe. For this purpose DFT is used to obtain the corresponding vibrational free energies within the framework of the harmonic approximation. The substitutional solutes Cu, Y and Ti, the interstitial solute atom O, the vacancy as well as small clusters consisting of solute atoms and vacancies are considered. The results are compared with theoretical data obtained by other authors and discussed in relation to experimental solubility data. It is found that the free energies show a significant dependence on temperature. This must be taken into account in multiscale simulations that use DFT input data.

Keywords: point defects; nanoclusters; bcc-Fe; free energy; temperature dependence; Density Functional Theory

  • Lecture (Conference)
    7th International Conference on Multiscale Materials Modeling (MMM 2014), 06.-10.10.2014, Berkeley, USA

Permalink: https://www.hzdr.de/publications/Publ-21048


Establishing the Fundamental Magnetic Interactions in the Chiral Skyrmionic Mott Insulator Cu2OSeO3 by Terahertz Electron Spin Resonance

Ozerov, M.; Romhanyi, J.; Belesi, M.; Berger, H.; Ansermet, J. P.; van den Brink, J.; Wosnitza, J.; Zvyagin, S. A.; Rousochatzakis, I.

The recent discovery of Skyrmionics in Cu2OSeO3 has established a new platform to create and manipulate Skyrmionic spin textures. We use high-field electron spin resonance with a terahertz free-electron laser and pulsed magnetic fields up to 64 T to probe and quantify its microscopic spin-spin interactions. In addition to the previously observed long-wavelength Goldstone mode, this technique probes also the high-energy part of the excitation spectrum which is inaccessible by standard low-frequency electron spin resonance. Fitting the behavior of the observed modes in magnetic field to a theoretical framework establishes experimentally that the fundamental magnetic building blocks of this Skyrmionic magnet are rigid, highly entangled and weakly coupled tetrahedra.

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  • High Magnetic Field Laboratory (HLD)

Permalink: https://www.hzdr.de/publications/Publ-21047


Solid phase recrystallization of Si nanowires

Posselt, M.; Liedke, B.; Baldauf, S.

Advanced Si and Ge nanowire transistors can be produced by top-down or bottom-up approaches. In order to obtain the desired electrical properties doping of the nanowires is required. Ion implantation is one of the favored methods to introduce dopant atoms in a controlled manner. If relatively high ion fluences are needed the originally single-crystalline nanowire is amorphized. Subsequently, thermal processing must be used to restore the Si or Ge crystal and to activate the dopants electrically. In planar structures a complete restoration can be achieved by solid-phase epitaxial recrystallization, whereas more complex processes take place in nanowires, due to the significant influence of surfaces and interfaces. In order to understand the solid-phase recrystallization in such confined systems molecular dynamics simulations are performed. Partially amorphized nanowires embedded in a matrix as well as free nanowires and nanopillars are considered. In dependence on whether embedded or free nanowires are investigated several phenomena are observed, such as stacking fault and twin formation, random nucleation of separate crystalline grains, as well as edge rounding and necking. The simulation results are in qualitative agreement with experimental findings.

Keywords: Solid phase recrystallization; Si nanowires; Molecular dynamics simulation

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  • Poster
    7th International Conference on Multiscale Materials Modeling (MMM 2014), 06.-10.10.2014, Berkeley, USA

Permalink: https://www.hzdr.de/publications/Publ-21046


Properties of oxide nanoclusters in ODS ferritic steels: A combined DFT and Monte Carlo simulation study

Devaraj, M.

Not available, please contact the author.

Keywords: oxide nanoclusters; ferritic steels; Density Functional Theory; Monte Carlo simulations

  • Lecture (others)
    Seminarvortrag im Department of Mathematical Sciences, Loughborough University, UK, 02.10.2014, Loughborough, UK

Permalink: https://www.hzdr.de/publications/Publ-21045


Electronic properties of a distorted kagome lattice antiferromagnet Dy3Ru4Al12

Gorbunov, D. I.; Henriques, M. S.; Andreev, A. V.; Gukasov, A.; Petricek, V.; Baranov, N. V.; Skourski, Y.; Eigner, V.; Paukov, M.; Prokleska, J.; Goncalves, A. P.

Electronic properties of Dy3Ru4Al12 (hexagonal crystal structure, Dy atoms form distorted kagome nets) are studied on a single crystal by means of magnetization, neutron diffraction, specific heat, and resistivity measurements. The onset of a long-range magnetic order of Dy moments occurs at 7 K through a first-order phase transition. The compound has a noncollinear antiferromagnetic structure with a propagation vector (1/2 0 1/2). The configuration of the Dy moments is consistent with the monoclinic Shubnikov group Cc2/c. The gamma coefficient in the temperature linear term of the specific heat is strongly enhanced to 500 mJ mol-1 K-2 taking into account the localized nature of Dy magnetism. An additional contribution originates from spin fluctuations induced in the 4d subsystem of Ru by the exchange field acting from the Dy 4f moments. In an applied magnetic field Dy3Ru4Al12 displays magnetization jumps along all crystallographic directions. All the metamagnetic transitions are accompanied by large positive magnetoresistance. The maximum effect (125%-140%) is attained for current along the [100] axis and field along the [120] or [001] axes. The large positive effect is explained by changes in the conduction electron spectra through the jumps as the conduction electrons interact with localized magnetic moments.

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  • High Magnetic Field Laboratory (HLD)

Permalink: https://www.hzdr.de/publications/Publ-21044


Temperature and flux dependence of ion-beam mixing in crystalline and amorphous germanium isotope multilayers

Radek, M.; Posselt, M.; Liedke, B.; Schmidt, B.; Bischoff, L.; Prucnal, S.; Bougeard, D.; Bracht, H.

The availability of highly enriched stable isotopes enables the preparation of isotopically controlled semiconductors. By means of crystalline (c-Ge) and preamorphized (a-Ge) germanium isotope multilayer structures we investigated the temperature and flux dependence of ion-beam induced self-atom mixing. Low,intermediate,and high temperature regions with different mixing behavior are identified after Ga implantation at 310 keV and various temperatures. In the first region (0K - 470K) the amount of mixing in c-Ge and a-Ge is very similar, an increasing mixing with increasing temperature is observed. Region 2 (470K - 540K) reveals a strong drop of mixing in c-Ge whereas the mixing in a-Ge still increases with temperature. In region 3 (570K and above) the mixing in a-Ge drops to the level of c-Ge. Within region 2 no significant structural change occurs during implantation suggesting an efficient annealing of the radiation damage. In addition we performed Focused-Ion-Beam (FIB) implantations with 60 keV Si ions into Ge using two different fluxes at two different temperatures. The experimental results indicate that the annealing of radiation damage is not only temperature but also flux dependent.
Molecular dynamics simulations with a Stillinger-Weber type potential are used to study the self-atom mixing observed in the experiment. It is found that the dominant mechanisms of mixing are thermal spikes formed by transferring kinetic energy of the incident ion to the lattice. If the transferred energy is high enough,locally molten regions are created in which the atoms can move more freely compared to the lattice atoms. With increasing temperature the thermal spikes last longer and the mixing increases. This is in accord with the experimentally observed mixing behavior in region 1. Differences between the mixing in a-Ge and c-Ge in region 2 are related to the initial crystal structure. Qualitative agreement is achieved with molecular dynamics simulations.

Keywords: ion-beam mixing; Ge isotope multilayers; temperature and flux dependence

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  • Lecture (Conference)
    19th International Conference on Ion Beam Modification of Materials (IBMM 2014), 14.-19.09.2014, Leuven, Belgium

Permalink: https://www.hzdr.de/publications/Publ-21043


Magnetization Reversal of Disorder Induced Ferromagnetic Regions in Fe60Al40 Thin Films

Tahir, N.; Gieniusz, R.; Maziewski, A.; Bali, R.; Kostylev, M. P.; Wintz, S.; Schultheiss, H.; Facsko, S.; Potzger, K.; Lindner, J.; Fassbender, J.

Magnetization reversal processes were investigated in iron-aluminum (Fe60Al40) alloy films of 40 nm thickness by employing magnetometry and magnetic domain imaging using magneto-optical longitudinal and polar effects. The films were initially chemically ordered and weakly ferromagnetic, and a large increase in the saturation magnetization was induced due to disorder magnetization induced by Ne+-ion irradiation. Three different sample geometries were investigated; a) continuous film; b) homogenously irradiated wire; and c) magnetic stripe-patterned wire. Specific magnetization reversal mechanism were identified for the different sample geometries.

Keywords: magnetic patterning; magnetic nanostructures; magneto-optical magnetometry; ions irradiation effects; magnetic domains

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Permalink: https://www.hzdr.de/publications/Publ-21042


Quo vadis?: Ion Beam Engineeering and beyond…

Skorupa, W.

There is no doubt that ion beam based research and applications- like all semiconductor-based revolutionary developments of our society- have reached a kind of saturation overlooking the last 60 years when ion implantation started as a child of the early nuclear weapon development. It was the mass separator as a key part of the ion implanter allowing the formation of atomically pure beams. Doping of semiconductor materials with a clear dominance of silicon was the technology driver for the development of ion beam technology. Moreover, the physical and chemical modification of surfaces as well as regions in shallow and deeper regions below the surface of solid materials was the matter of interest for using this efficient tool. At all times, annealing/thermal treatment of ion beam treated materials within different time ranges –from hours down to picoseconds- was a close relative of ion beam engineering. Even flash lamp annealing as one of the annealing methods based on early experiments performed for the simulation of strong optical radiation impact on materials during nuclear weapon attacks. In this talk I will shortly discuss historical and future aspects of ion beam engineering to initiate a discussion on: From nuclear weapons to superchips…, what remains to be done? or, ...what more do people really need? I will extend this lecture to issues that should be of broader interest, but also, to our community!

Keywords: ion beam engineering; flash lamp annealing; ion beam technology

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  • Invited lecture (Conferences)
    X-th International Conference Ion Implantation and other Applications of Ions and Electrons, 23.-26.06.2014, , Poland, 23.-26.06.2014, Kazimierz Dolny, Poland

Permalink: https://www.hzdr.de/publications/Publ-21041


Development and Characterization of a tunable ultrafast X-ray source via Inverse Compton Scattering

Jochmann, A.

Ultrashort, nearly monochromatic hard X-ray pulses enrich the understanding of the dynamics and function of matter, e.g., the motion of atomic structures associated with ultrafast phase transitions, structural dynamics and (bio)chemical reactions. Inverse Compton backscattering of intense laser pulses from relativistic electrons not only allows for the generation of bright X-ray pulses which can be used in a pumpprobe experiment, but also for the investigation of the electron beam dynamics at the interaction point.
The focus of this PhD work lies on the detailed understanding of the kinematics during the interaction of the relativistic electron bunch and the laser pulse in order to quantify the influence of various experiment parameters on the emitted X-ray radiation.
The experiment was conducted at the ELBE center for high power radiation sources using the ELBE superconducting linear accelerator and the DRACO Ti:sapphire laser system. The combination of both these state-of-the-art apparatuses guaranteed the control and stability of the interacting beam parameters throughout the measurement.
The emitted X-ray spectra were detected with a pixelated detector of 1024 by 256 elements (each 26μm by 26μm) to achieve an unprecedented spatial and energy resolution for a full characterization of the emitted spectrum to reveal parameter influences and correlations of both interacting beams. In this work the influence of the electron beam energy, electron beam emittance, the laser bandwidth and the energy-anglecorrelation on the spectra of the backscattered X-rays is quantified.
A rigorous statistical analysis comparing experimental data to ab-initio 3D simulations enabled, e.g., the extraction of the angular distribution of electrons with 1.5% accuracy and, in total, provides predictive capability for the future high brightness hard X-ray source PHOENIX (Photon electron collider for Narrow bandwidth Intense X-rays) and potential all optical gamma-ray sources.
The results will serve as a milestone and starting point for the scaling of the Xray flux based on available interaction parameters of an ultrashort bright X-ray source at the ELBE center for high power radiation sources. The knowledge of the spatial and spectral distribution of photons from an inverse Compton scattering source is essential in designing future experiments as well as for tailoring the X-ray spectral properties to an experimental need.

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  • Doctoral thesis
    TU Dresden, 2014
    Mentor: Prof. Dr. Roland Sauerbrey
    103 Seiten
  • Open Access Logo Wissenschaftlich-Technische Berichte / Helmholtz-Zentrum Dresden-Rossendorf; HZDR-055 2014
    ISSN: 2191-8708, eISSN: 2191-8716

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Permalink: https://www.hzdr.de/publications/Publ-21040


The development of a compact EBIS with integrated ion optics for FIB applications

Schmidt, M.; Zschornack, G.; Gierak, J.

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  • Lecture (Conference)
    Condensed Matter in Paris 2014, CMD 25 – JMC 14, 25.08.2014, Paris, France

Permalink: https://www.hzdr.de/publications/Publ-21039


IMALION – Creation and Low Energy Transportation of Milliampere Metal Ion Beams

Weichsel, T.; Hartung, U.; Kopte, T.; Zschornack, G.; Kreller, M.; Silze, A.

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  • Lecture (Conference)
    5th International Particle Accelerator Conference, 16.06.2014, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21038


Implementation of a Superconducting Electron Beam Ion Source into the HIT Ion Source Testbench

Ritter, E.; Silze, A.; Zschornack, G.; Cee, R.; Haberer, T.; Peters, A.; Winkelmann, T.

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  • Lecture (Conference)
    5th International Particle Accelerator Conference, 16.06.2014, Dresden, Deutschland
  • Open Access Logo Contribution to proceedings
    5th International Particle Accelerator Conference, 16.06.2014, Dresden, Deutschland
    Proceedings of IPAC2014: JACoW, 2153

Permalink: https://www.hzdr.de/publications/Publ-21037


Eifficient charge-breeding of Helium-6 in an EBIT for precision measurement of the beta-neutrino correlation

Schmidt, M.; Hass, M.; Zschornack, G.; Rappaport, M. L.; Heber, O.; Prygarin, A.; Shachar, Y.; Vaintraub, S.

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  • Lecture (Conference)
    14th International Symposium on Electron Beam Ion Sources and Traps (EBIS/T 2014), 20.05.2014, East Lansing, USA

Permalink: https://www.hzdr.de/publications/Publ-21036


Momentum phase space analysis with charged particle diagnostic devices

Zschornack, G.; Ritter, E.

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  • Lecture (Conference)
    DPG-Frühjahrstagung 2014, 17.03.2014, Frankfurt/Main, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21035


Electron Beam Ion Sources for Student Education

Zschornack, G.; Ritter, E.

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  • Lecture (Conference)
    DPG-Frühjahrstagung 2014, 17.-21.03.2014, Frankfurt/Main, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21034


Materials Analysis with Electron Beam Ion Sources

König, J.; Bischoff, L.; Kentsch, U.; Kreller, M.; Pilz, W.; Ritter, E.; Schmidt, M.; Silze, A.; Zschornack, G.

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  • Lecture (Conference)
    DPG-Frühjahrstagung 2014, Sektion Mikroproben, 02.04.2014, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21033


Suppression of tin precipitation in SiSn alloy layers by implanted carbon

Gaiduk, P. I.; Lundsgaard Hansen, J.; Nylandsted Larsen, A.; Bregolin, F. L.; Skorupa, W.

By combining transmission electron microscopy and Rutherford backscattering spectrometry, we have identified carbon related suppression of dislocations and tin precipitation in supersaturated molecular-beam epitaxial grown SiSn alloy layers. Secondary ion mass spectrometry has exposed the accumulation of carbon in the SiSn layers after high temperature carbon implantation and high temperature thermal treatment. Strain-enhanced separation of point defects and formation of dopant-defect complexes are suggested to be responsible for the effects. The possibility for carbon assisted segregation-free high temperature growth of heteroepitaxial SiSn/Si and GeSn/Si structures is argued.

Keywords: ion implantation; precipitation; carbon; tin; SiSn alloy; transmission electron microscopy; Rutherford backscattering spectrometry

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Permalink: https://www.hzdr.de/publications/Publ-21032


Corundum-type Fe-doped cathodic arc evaporated Al-Cr-O coatings

Koller, C. M.; Ramm, J.; Polcik, P.; Munnik, F.; Paulitsch, J.; Mayrhofer, P. H.

A quaternary alloying concept comprising the addition of 1-5 at% Fe to Al0.7Cr0.3 targets for cathodic arc evaporation at 550 °C is investigated regarding its influence on promoting singe-phase α-(Al,Cr)2O3 film growth. Based on detailed X-ray diffraction and transmission electron microscopy studies we can show that the α-phase fraction correlates with the incorporated Fe content and increases with increasing film thickness at the expense of the cubic phases.

Keywords: Corundum-type aluminium oxide; (Al; Cr)₂O₃; (Al; Cr; Fe)₂O₃; cathodic arc evaporation

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Permalink: https://www.hzdr.de/publications/Publ-21031


Chemoradiotherapy with nimorazole: Factors influencing local tumor control

Mobius, L.; Koi, L.; Yaromina, A.; Schmidt, M.; Zips, D.; Krause, M.; Baumann, M.

Chemoradiotherapy with nimorazole: Factors influencing local tumor control

  • Abstract in refereed journal
    Strahlentherapie und Onkologie 190(2014), 21-22
    ISSN: 0179-7158

Permalink: https://www.hzdr.de/publications/Publ-21030


Vorsicht bei der hypofraktionierten dosiseskalierten Strahlentherapie beim nicht-kleinzelligen Bronchialkarzinom [Caution with hypofractionated dose-escalating radiotherapy in non-small cell lung cancer].

Philipp, J.; Baumann, M.

no abstract available

Permalink: https://www.hzdr.de/publications/Publ-21029


Radiogenomics: Radiobiology Enters the Era of Big Data and Team Science

Rosenstein, B.; West, C.; Bentzen, S.; Alsner, J.; Andreassen, C.; Azria, D.; Barnett, G.; Baumann, M.; Burnet, N.; Chang-Claude, J.; Chuang, E.; Coles, C.; Dekker, A.; de Ruyck, K.; de Ruysscher, D.; Drumea, K.; Dunning, A.; Easton, D.; Eeles, R.; Fachal, L.; Gutierrez-Enriquez, S.; Haustermans, K.; Henriquez-Hernandez, L.; Imai, T.; Jones, G.; Kerns, S.; Liao, Z.; Onel, K.; Ostrer, H.; Parliament, M.; Pharoah, P.; Rebbeck, T.; Talbot, C.; Thierens, H.; Vega, A.; Witte, J.; Wong, P.; Zenhausern, F.

there is no abstract

Permalink: https://www.hzdr.de/publications/Publ-21028


Spectroscopic evidence for selenium(IV) dimerization in aqueous solution

Kretzschmar, J.; Jordan, N.; Brendler, E.; Tsushima, S.; Franzen, C.; Foerstendorf, H.; Stockmann, M.; Heim, K.; Brendler, V.

The aqueous speciation of selenium(IV) was elucidated by a combined approach applying quantum chemical calculations, infrared (IR), Raman, and 77Se NMR spectroscopy. The dimerization of hydrogen selenite (HSeO3−) was confirmed at concentrations above 10 mmol L–1 by both IR and NMR spectroscopy. Quantum chemical calculations provided the assignment of vibrational bands observed to specific molecule modes of the (HSeO3)22– ion. The results presented will provide a better understanding of the chemistry of aqueous Se(IV) which is of particular interest for processes occurring at mineral/water interfaces.

Keywords: selenium; dimers; speciation; NMR; IR; Raman; DFT

Permalink: https://www.hzdr.de/publications/Publ-21027


BAY 87-2243, a novel inhibitor of hypoxia-induced gene activation, improves local tumor control after fractionated irradiation in a schedule-dependent manner in head and neck human xenografts

Helbig, L.; Koi, L.; Bruechner, K.; Gurtner, K.; Hess-Stumpp, H.; Unterschemmann, K.; Baumann, M.; Zips, D.; Yaromina, A.

Background: The transcription factor hypoxia-inducible factor-1 (HIF-1) pathway plays an important role in tumor response to cytotoxic treatments. We investigated the effects of a novel small molecule inhibitor of mitochondrial complex I and hypoxia-induced HIF-1 activity BAY-87-2243, on tumor microenvironment and response of human squamous cell carcinoma (hSCC) to clinically relevant fractionated radiotherapy (RT) with and without concomitant chemotherapy.
Methods: When UT-SCC-5 hSCC xenografts in nude mice reached 6 mm in diameter BAY-87-2243 or carrier was administered before and/ or during RT or radiochemotherapy with concomitant cisplatin (RCT). Local tumor control was evaluated 150 days after irradiation and the doses to control 50% of tumors (TCD50) were compared between treatment arms.
Tumors were excised at different time points during BAY-87-2243 or carrier treatment for western blot and immunohistological investigations.
Results: BAY-87-2243 markedly decreased nuclear HIF-1 alpha expression and pimonidazole hypoxic fraction already after 3 days of drug treatment. BAY-87-2243 prior to RT significantly reduced TCD50 from 123 to 100 Gy (p=0.037). Additional BAY-87-2243 application during RT did not decrease TCD50. BAY-87-2243 before and during radiochemotherapy did not improve local tumor control.
Conclusions: Pronounced reduction of tumor hypoxia by application of BAY-87-2243 prior to RT improved local tumor control. The results demonstrate that radiosensitizing effect importantly depends on treatment schedule. The data support further investigations of HIF-1 pathway inhibitors for radiotherapy and of predictive tests to select patients who will benefit from this combined treatment.

Keywords: HIF pathway inhibition; Cisplatin; Fractionated radiation; Local tumor control; Tumor microenvironment; Human tumor xenograft

Permalink: https://www.hzdr.de/publications/Publ-21026


Paramagnetism in neutron irradiated graphite

Wang, Y.; Jenkins, C. A.; Arenholz, E.; Bukalis, G.; Skorpa, W.; Helm, M.; Zhou, S.

Defect induced magnetism in carbon based materials has many attractive perspectives in the fundamental understanding of magnetism as well as in future spintronic applications. Graphite has been reported that it can be ferromagnetic after proton irradiation. After that, successive investigation was done for confirming the ferromagnetism in graphite and for finding other carbon based materials to be ferromagnetic. So far although the mechanism of ferromagnetism in carbon-based materials is still an open question, more and more experiments show some common features: First, paramagnetism can be largely enhanced by introducing defects. Second, ferromagnetism only appears under certain defect concentration. Third, defects induced or disturbed electron states play an important role to generate local moments and to establishing the ferromagnetic coupling. In the past most of researchers used ions implantation to introduce defects in graphite or graphene. This technology usually generates defect in the near--surface and it is hard to effectively increasing the total number of defect in the whole matrix. Consequently, the magnetic signal is so weak that confuses the interpretation for the source of the observed ferromagmetism. To obtain more reliable information, thereby to better understand this phenomenon, it is necessary to enhance the total number of defect states and simultaneously keep defect concentration constant when the ferromagnetism appears. So in this contribution we use neutron irradiation to extend defect region in graphite from the near surface region to the whole sample. We present the magnetic properties and X-ray absorption spectroscopy of irradiated graphite.

Keywords: XAS; neutron irradiation; graphite

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  • Poster
    19th international conference on ion beam modification of materials (IBMM 2014), 14.-19.09.2014, Leuven, Belgium

Permalink: https://www.hzdr.de/publications/Publ-21025


Stratified and Segregated Flow Modelling - Interfacial Area Density Models – AIAD

Höhne, T.

Today: Limits in simulating stratified & segregated two phase flow
Algebraic Interfacial Area Density Model (AIAD)
Free Surface Drag
Turbulence Damping
Sub-grid wave turbulence (SWT)
Verification and Validation is going on – more experimental data are required for the validation

Keywords: AIAD; Free Surface Drag; Sub-grid wave turbulence (SWT)

  • Contribution to proceedings
    12th Short Course “Multiphase Flow: Simulation,Experiment and Application”, 25.-27.11.2014, Dresden, Deutschland
    CD-ROM
  • Lecture (Conference)
    12th Short Course “Multiphase Flow: Simulation,Experiment and Application”, 25.-27.11.2014, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21024


Gleichgewichtsdynamik der Huminstoff-Komplexbildung: Konzentrations- und zeitabhängige Effekte

Lippold, H.

Es ist kein Abstract vorhanden.

  • Lecture (others)
    7. Workshop zum Verbundprojekt "Rückhaltung endlagerrelevanter Radionuklide im natürlichen Tongestein und in salinaren Systemen", 28.-29.10.2014, Saarbrücken, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21023


Low energy proton radiation impact on 4H-SiC nMOSFET gate oxide stability

Florentin, M.; Alexandru, M.; Constant, A.; Schmidt, B.; Millán, J.; Godignon, P.

The 4H-SiC MOSFET electrical response to 180 keV proton radiations at three different fluences has been evaluated. For a certain dose, the devices show an improvement of their electrical characteristics likely due to the N and/or H atoms diffusion inside the oxide layer. This work shows that not only the 4H-SiC material is robust to the radiation, but also a MOSFET build on this material can withstand it, and even its electrical performance results improved if submitted to an appropriate fluence.

Keywords: Charge trapping; Mobility; Proton irradiation; SiC MOSFET; Threshold voltage; Time bias stress instability

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Permalink: https://www.hzdr.de/publications/Publ-21022


Simultaneous measurement of AMR and observation of magnetic domains in stripe-patterned permalloy

Osten, J.; Langer, M.; Lenz, K.; Lindner, J.; Fassbender, J.

AMR depends on the angle between applied current and the direction of the internal magnetization. The influence of magnetic domains on the AMR is still not fully understood. Therefore it is important to observe the domain structure while measuring the AMR. To observe the domain structure Kerr microscopy based on the magneto-optical Kerr effect was applied. For measuring the AMR during imaging, the sample holder was equipped with electrical contacts in four-point style.The investigated permalloy films are stripe patterned by Implantation.The implantation leads to a lower saturation magnetization in the implanted stripes compared to the non-implanted ones. Our measurements show a clear correlation between AMR and the magnetic domain structur.

Here we present how simultaneous anisotropic magnetoresistance (AMR) and Kerr microscopy measurements of patterned samples can be applied to develop new types of magnetic sensors. One observes that the AMR has a minmum value if the magnetization is perpendicular to the current and a maximum value if parallel. Without patterning Permalloy the resistance shows a symmetric behavior. By introducing a certain stripe structure it was possible to achieve a sinusoidal resistance.

Keywords: magnetic domains; AMR; Kerr microscope

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  • Lecture (Conference)
    IEEE International Magnetics Conference, 04.-08.05.2014, Dresden, Deutschland
  • Lecture (Conference)
    Physikerinnentagung, 16.-19.10.2014, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21021


Synthesis of S-Layer Conjugates and Evaluation of Their Modifiability as a Tool for the Functionalization and Patterning of Technical Surfaces

Weinert, U.; Pollmann, K.; Barkleit, A.; Vogel, M.; Günther, T.; Raff, J.

Chemical groups of surface layer (S-layer) proteins were chemically modified in order to evaluate the potential of S-layer proteins for the introduction of functional molecules.
S-layer proteins are structure proteins that self-assemble to regular arrays on surfaces. One general feature of S layer proteins is their high amount of carboxylic and amino groups. These groups are potential targets for linking functional molecules thus producing reactive surfaces.
In this work these groups were conjugated with the amino acid tryptophan. In another approach, SH-groups were chemically inserted in order to extend the spectrum of modifiable groups. The amount of modifiable carboxylic groups was further evaluated by potentiometric titration in order to evaluate the efficiency of S-layer proteins to work as matrix for bioconjugations. The results proved that S-layer proteins can work as matrizes for the conjugation of different molecules. The advantage of using chemical modification methods over genetic methods lies in its versatile usage enabling the attachment of biomolecules as well as fluorescence dyes and inorganic molecules. Together with their self-assembling properties S-layer proteins are suitable as targets for bioconjugates, thus enabling a nanostructuring and bio-functionalization of surfaces which can be used for different applications like biosensors, filter materials or (bio)catalytic surfaces.

Keywords: EDC; Modified Surface-layer proteins; Potentiometric titration; Modification rate; Bio-functionalization of surfaces; Chemical modification; Immobilization

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Permalink: https://www.hzdr.de/publications/Publ-21020


Atomistic modeling of ion-beam induced processes in Si and Ge

Liedke, B.; Heinig, K.-H.; Böttger, R.; Anders, C.; Urbassek, H.; Facsko, S.; Posselt, M.

Modeling of ion-beam induced processes includes ion beam – solid interactions as well as solid state physics. Thus, a rather broad field of physics has to be considered which can be approached using a large variety of modeling techniques. Atomistic models of ion-induced materials modification can be classified as follows: (i) including the ion-induced collision cascade, molecular dynamics (MD) simulations provide the most accurate way to simulate a single or a few ion impacts. The predictive power of MD simulations depends on the accuracy of the interatomic potentials in the wide energy range from meV to keV. (ii) For energetic ions, with the Binary Collision Approximation (BCA) properties like the ion range can be predicted with similar precision like with MD, but thermally activated processes following the collision cascade cannot be simulated; (iii) kinetic Monte-Carlo (KMC) simulations can be used very efficiently and with an acceptable accuracy for modelling of diffusion, relaxation and precipitation of defects and impurities.
Here we will address all of three types of atomistic simulations: (i) With our recently developed TRIDER program, which unifies the BCA and KMC methods [1], low-energy irradiation of a-Si surface has been accurately simulated, in particular the rotation of self-organized surface ripples with the angle of ion incidence. (ii) The BCA, KMC and MD simulation methods have been employed to study the surface stability of Ge and Si under irradiation with heavy ion. [2]. KMC simulations show that the hole-like and sponge-like morphologies results from the vacancy kinetics. The origin of dot-like patterns after irradiation with poly-atomic ions or at elevated substrate temperatures has been revealed by a model based on TRIM and MD simulations: Single ion impacts induce tiny, short-living melt pools. Each meltpool generates a local surface minimization which leads, together with the high ion erosion rate, to a pronounce surface instability. (iii) Swift-heavy-ions change drastically the shape of spherical nanoparticles embedded in silica: Metal clusters become rods, whereas e.g. Ge clusters form to discs. [3]. A model has been developed which is based on transient melting of the nanoparticles by single ion hits, and the volume change of the metal/Ge upon this phase transition. Our KMC program has been modified to simulate the ion-induced shape evolution of different elements for different ion species, energies and fluences even quantitatively, where finally just one fit parameter describes all experiments.
References:
1. Liedke, B.; Heinig, K.-H.; Möller, W.; Nucl. Instr. Meth. B 316, 56 (2013)
2. Böttger, R.; Heinig, K.-H.; Bischoff, L.; Liedke, B.; Facsko, S.; Appl. Phys. A 113, 53 (2013)
3. Schmidt, B.; Heinig, K.-H.; Mücklich, A.; Akhmadaliev,; Nucl. Instr. Meth. B 267, 1345 (2009)

Keywords: molecular dynamics; kinetic Monte-Carlo; TRIM; TRIDER; surface patterning; ion-beam shaping

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  • Invited lecture (Conferences)
    Swift Heavy ions in Materials Engineering and Characterization (SHIMEC 2014), 14.-17.10.2014, New Delhi, India

Permalink: https://www.hzdr.de/publications/Publ-21019


First Investigation of the two-phase oxidation of isobutane by a micro reactor.

Willms, T.; Kryk, H.

The micro reactor, the principal structure and components of the lab facility and the most important challenges of its construction are presented. As a proof of functionality, the first two-phase flow oxidation experiment of isobutane to t-Butyl hydroperoxide (TBHP) in a micro reactor was accomplished. Challenges of the gas chromatographic analytics (GC) of the reaction are discussed.
The chromatogram of the reaction mixture obtained by the first experiment has been interpreted.
Furthermore a device has been developed to allow the analysis of the gaseous products in a high pressure steel crucible for Differential scanning calorimetry (DSC).
It has been used to analyze the gases resulting from the decomposition of TBHP at higher temperatures by GC.

Keywords: micro reactor; isobutane oxidation; gas chromatography

  • Lecture (others)
    Halbjahresmeeting Helmholtz-Energie-Allianz, 09.-10.10.2014, Hamburg, Duetschland

Permalink: https://www.hzdr.de/publications/Publ-21018


Untersuchung von Kopplungseffekten und magnetischer Anisotropie in Fe3Si-Dreifachlagen mittels ferromagnetischer Resonanz

Schneider, T.

Im Rahmen dieser Arbeit wurden Einzelfilme und Dreifachlagen bestehend aus Fe3Si mittels ferromagnetischer Resonanz untersucht. Das Hauptaugenmerk lag hierbei auf der Bestimmung der Interlagenaustauschkopplungskonstanten J1 . Außerdem sollen g-Faktor und Anisotropiekonstanten bestätigt werden. Hierbei kann aufgrund des breitbandigen Aufbaus auf die Linienbreite der Signale über einen großen Frequenzbereich eingegangen werden. Bei dem verwendeten Probensystemen Fe3Si/MgO/Fe3Si/MgO/GaAs(001) wurde die Dicke der MgO-Schicht variiert, um einerseits den Einfluss der verschiedenen Lagen aufeinander und andererseits das gekoppelte Verhalten zu untersuchen. Dabei konnte festgestellt werden: (i) Die in dieser gemessenen Parameter stimmen gut mit vorher bestimmten überein. (ii) Das dynamische Verhalten wird durch Zwei-Magnonen-Streuung und Einflüsse der Mosaizität geprägt. (iii) Die Kopplungkonstante J1 wurde bei beiden verwendeten MgO-Zwischenschichtdicken bestimmt. (iv) Der Ursprung der uniaxialen Anisotropie ist durch Grenzflächeneffekte zwischen Fe3Si/GaAs und Fe3Si/MgO bedingt.

Keywords: Interlayer exchange coupling; FMR; Fe3Si

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  • Bachelor thesis
    TU Dresden, 2013
    Mentor: Fassbender, Jürgen
    54 Seiten

Permalink: https://www.hzdr.de/publications/Publ-21017


Investigation of interlayer exchange coupling and magnetic anisotropy of Fe3Si-trilayers using ferromagnetic resonance

Schneider, T.; Hübner, R.; Lenz, K.; Lindner, J.; Fassbender, J.

In this thesis, magnetic properties of single Fe3Si-films und trilayer structures are investigated by ferromagnetic resonance. Using this technique, it is possible to determine the magnetic anisotropy energy and interlayer exchange coupling J1 in absolute units. Further on, values for the magnetic anisotropy constants and the g-factor should be confirmed in this work. Due to the use of a broad band setup, it is possible to investigate the linewidth of the measured signals. The measurements are carried out using structures containing two Fe3Si films separated by one MgO-layer. The MgO thickness is varied to obtain two different samples. In one of these samples both layers can be considered as decoupled. In the second sample both layers are coupled due to interlayer exchange coupling (IEC). The main results of this thesis are: (i) The obtained parameters for magnetic anisotropy and the g-factor match former results quite well. (ii) The investigation of the resonance linewidth shows contributions of two-magnon-scattering and inhomogeneous broadening due to the mosaicity. (iii) For both used layer thicknesses the interlayer exchange coupling can always be neglected. (iv) The origin of the uniaxial anisotropy is given by effects at the interfaces between the Fe3Si and MgO or the Fe3Si and GaAs layers.

Keywords: Interlayer exchange coupling; FMR; Fe3Si

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  • Lecture (others)
    Gruppenseminar AG Wende, 14.01.2014, Duisburg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21016


Taktsynchronisierung und Zeitmessung in einem verteilten Datenerfassungssystem

Födisch, P.; Sandmann, J.; Lange, B.; Kaever, P.

Die Zeitmessung mit einem verteilten Datenerfassungssystem erfordert die Synchronisierung der einzelnen Teilsysteme. Eine dedizierte Taktverteilung ist für diese Anwendung eine einfache und präzise Lösung, erfordert aber zusätzlichen Installationsaufwand und bereitet vor allem bei der Skalierung des Gesamtsystems Probleme. Stattdessen können auch die vorhandenen Datenlinks der einzelnen Module für eine Rückgewinnung des Systemtaktes verwendet werden. Hier wird gezeigt, wie mit industriellen Komponenten (FPGA und Gigabit-Ethernet PHY) die Synchronisierung auf eine gemeinsame Taktfrequenz realisiert wird. Der Abgleich der Uhren erfolgt anschließend protokollbasiert über die Ethernet-Schnittstelle. Es werden die hardwareseitigen Anforderungen, die Umsetzung sowie die experimentellen Ergebnisse vorgestellt. Das implementierte System erreicht Genauigkeiten im Sub-Nanosekunden Bereich mit einer 1000BASE-T Punkt-zu-Punkt Verbindung.

  • Open Access Logo Contribution to proceedings
    105. Tagung der Studiengruppe elektronische Instrumentierung im Frühjahr 2014, 10.-12.03.2014, Geesthacht, Deutschland, Hamburg: Verlag Deutsches Elektronen-Synchrotron, 978-3-935702-85-0, 238-242

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Permalink: https://www.hzdr.de/publications/Publ-21015


Ferromagnetic InMnAs with perpendicular magnetic anisotropy synthesized by ion implantation

Yuan, Y.; Khalid, M.; Wang, Y.; Weschke, E.; Skorupa, W.; Helm, M.; Zhou, S.

Due to the great potential application in spintronic device, III-Mn-V dilute magnetic semiconductors (DMS) have drawn significant attention during the past two decades. Although of the model member GaMnAs (mostly be prepared by low-temperature molecule beam epitaxy: LTMBE) have been comprehensively investigated, the challenge for preparing other DMS such as InMnAs still exists. Therefore, the understanding about the full family III-Mn-V DMS is far from satisfaction. Ferromagnetic DMS GaMnAs and GaMnP were firstly obtained alternatively by Mn ion implantation and pulsed laser annealing [1, 2], a method rather than LTMBE. The Mn concentration and depth could be controlled through implanting fluence and implanting energy, respectively. When annealing under pulsed laser, due to high temperature gratitude, the large regrowth velocity could trap Mn atoms into the substitutional sites, which is quite effective to obtain high quality laser with less defects which can act as double donors and be harmful to ferromagnetism.
We prepared ferromagnetic InMnAs with different Mn concentrations by ion implantation and pulsed laser annealing. The formation of an epitaxial InMnAs on InAs substrates was proved by Rutherford Backscatting/Channeling and X-ray diffraction. The Curie temperature could be as high as around 75 K when the Mn concentration is around 8%. The out-of-plane direction is the easy axis, originating from the compreassive strain along the perpendicular direction, as expected from the case of GaMnAs [3, 4]. The perpendicular anisotropy is particularly useful for exploiting spintronics functionalities, such as current induced magnetization switching.

[1] M. A. Scarpulla et al. Phys. Rev. Lett., 95, 207204 (2005)
[2] M. A. Scarpulla et al. Appl. Phys. Lett., 82, 1251 (2003)
[3] Shengqiang Zhou et al. APEX, 5, 093007 (2012)
[4] K. W. Edmonds et al. Phys. Rev. Lett., 96 117207 (2006)

Keywords: InMnAs; Ferromagnetic Semiconductors; Ion implantation

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  • Poster
    International Conference on Ion Beam Modification of Materials, 14.-19.09.2014, leuven, Belgium
  • Lecture (Conference)
    DPG Frühjahrstagung 2015, 15.-20.03.2015, Berlin, Germany

Permalink: https://www.hzdr.de/publications/Publ-21014


Laser-Induced Spectroscopy of Actinides – From simple metal systems to species in living cells

Geipel, G.; Viehweger, K.

Application of laser-induced methods allow the direct determination of uranium speciation at extremely low concentrations. First tunable solid state laser in an actinide chemistry lab was installed in 1993 in Dresden-Rossendorf under Heino Nitsche’s directorship. Later the installation of the first fs-laser system allowed us to study the interaction of organic compounds with actinides.
U(VI) released anthropogenically, e.g. through mining activities, can be accumulated for instance in plants and consequently can enter further parts of the food chain. Uranium as a redox-active heavy metal can cause also various redox imbalances in plant cells.
Recently we have shown that uranium can be taken up by plant cells. Fractionation studies showed that the uranium was present in nearly all cell compartments.
One of the major remaining questions concerns to the ways of uranium uptake. Recently published work proposed that the uranium uptake is influenced by the iron uptake. As it is known that the iron uptake occurs via reduction of the iron(III) into iron(II), we conclude that uranium uptake should also by accompanied by a redox process.
The evaluation of Laser-Induced Photoacoustic Spectra (LIPAS) in the wavelength range 620 nm to 680 nm gave evidence for the formation of both reduced oxidation states in the media studied. The uranium(V) is assigned to an absorption at around 637 nm, while uranium(IV) absorbs light at ~660 nm.

Keywords: Laser-Induced Spectroscopy; uranium, plants

  • Invited lecture (Conferences)
    ACS Annual Spring Meeting Denver, 22.-26.03.2015, Denver, USA

Permalink: https://www.hzdr.de/publications/Publ-21013


Mikrobiologische Verfahren in der Hydrometallurgie

Kutschke, S.; Raff, J.; Pollmann, K.

Die Vorbereitung von Erzen zur Verhüttung kann mit hydrometallurgischen Verfahren erfolgen. Dazu zählen Extraktionsverfahren mit wässrigen Lösungen, die Flotation, Sink-Schwimmtrennung und Fällungen. Diese Verfahren finden häufig in äußerst aggressiver Umgebung statt. Für einige dieser Prozesse stehen interessante Alternativen zur Verfügung. Die untersuchten und dargestellten Methoden werden durch Mikroorganismen oder ihre Stoffwechselprodukte unterstützt.
Seit 1980 wird Bioleaching im industriellen Maßstab in Chile eingesetzt. Zur Laugung trägt in diesen Anlagen die Oxidation der sulfidischen Erze durch Acidithiobacillus sp. bei. Oxidische oder carbonatische Erze können auf diesem Weg nicht gelaugt werden. Untersuchungen zeigen, dass in diesen Fällen der Einsatz von Pilzen und Bacillus sp. zur Freisetzung von Metallen aus diesen Erzen beiträgt. Dabei spielen die von Mikroorganismen gebildeten organischen Säuren eine entscheidende Rolle.
Für Sink- Schwimmtrennungen und Fällungen können weitere biologische Komponenten verwendet werden. Zum einen sind es Phagen mit speziell gestalteten Oberflächen. Diese Oberflächen können so konstruiert werden, dass sie spezifisch für einzelne Metalle sind. Durch weitere Variationen der Phagenoberfläche kann die Hydro¬phobi¬zität der mikroskopisch kleinen Partikel an die Anforderungen zum Beispiel einer Flotation angepasst werden. Zum anderen sind es calciumbindende Proteine, die über spezifische und unspezifische Bindungsstellen verfügen und darüber einzelne industrierelevante Metalle sehr selektiv binden können. Die letzten beiden Ideen werden in anderen Bereichen bereits genutzt, zeigen aber auch ein sehr hohes Anwendungspotential bei der Aufbereitung von Erzen.

  • Lecture (Conference)
    Jahrestagung 2013 „Aufbereitung und Recycling“, 13.-14.11.2013, Freiberg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21012


Tilting column and 3D pattern formation during ion beam assisted growth of carbon:nickel nanocomposite films

Krause, M.; Buljan, M.; Möller, W.; Facsko, S.; Zschornak, M.; Wintz, S.; Heller, R.; Endrino, J. L.; Gemming, S.

Ion assistance provides unique opportunities to influence the microstructure of growing films due to energy and momentum transfer. Here, ion effects on the microstructure of C:Ni nanocomposite thin films grown at RT to 500°C by ion-beam sputtering with assisting oblique incidence angle Ar+ ion beam irradiation (50 – 130 eV) are studied by SEM, (c)AFM, TEM, GISAXS, and TRI3DYN simulations. Two types of ordered metallic nanostructures in an amorphous carbon matrix are identified and characterized: i) tilted parallel columns [1] and ii) rippled, periodic three-dimensional nanoparticle arrays [2]. For the former one, the tilt angle and diameter of the nanocolumns are controlled by the deposition parameters. Ion-enhanced diffusivity and ion-induced surface drift are responsible for the tilted column microstructure. Complex secondary structures like chevrons with partially epitaxial junctions are grown by sequential deposition. For a given composition of the depositing flux, the transition from the columnar growth to the 3D pattern formation regime as a function of the assisting ion energy is demonstrated. The 3D pattern is attributed to the transfer of compositionally modulated surface ripples into the bulk of the C:Ni thin film. The essential experimental features are reproduced by three-dimensional binary collision computer simulations. This agreement points to ion-induced preferential displacements as the driving force for the 3D pattern formation.

Keywords: Nanocomposites; Ion assistance; pattern formation

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  • Poster
    14th International Conference on Plasma Surface Engineering, 15.-19.09.2014, Garmisch-Partenkirchen, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21011


P1311 - Anordnung zur schnellen Elektronenstrahl-Röntgencomputertomographie

Barthel, F.

Aufgabe der Erfindung ist es, eine Anordnung zur Elektronenstrahl-Röntgen-Computertomographie anzugeben, die ohne die erhebliche axiale Ausdehnung des Elektronenstrahlers auskommt, und weitgehend auf elektronenoptische Strahlführungselemente verzichtet. Die Erfindung umfasst, dass ein Röntgendetektorbogen (6) und das Target (4) um den Untersuchungsquerschnitt innerhalb einer Bestrahlungsebene angeordnet sind, und ein im Elektronenstrahlerzeuger generierter Elektronenstrahl in den Durchflutungsbereich einer oder mehrerer Längsspulen radial eingebracht wird, und durch das Magnetfeld auf eine Kreisbahn gezwungen wird. Durch periodisches Verstellen der Feldstärke wird der Radius der Kreisbahn vergrößert, was dazu führt, dass der Elektronenstrahl das Target (4) in einem tangential wandernden Brennfleck (7) trifft. Vom das Target umgebenden Röntgendetektor(6) werden Durchstrahlungsprojektionen des in der Mitte der Anordnung befindlichen Objekts (8) aufgenommen. Der Elektronenstrahlerzeuger (1) kann sowohl innerhalb als auch außerhalb der Längsspulen (3) angeordnet sein. Darüber hinaus kann die Target- und Röntgendetektorebene mit oder ohne Axialversatz angeordnet sein.

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  • TOPFLOW Facility
  • Patent
    DE102013206252 - Offenlegung 09.10.2014, Nachanmeldung WO, EP, JP, US

Permalink: https://www.hzdr.de/publications/Publ-21010


Tetrahedral amorphous carbon coatings for friction reduction of the valve train in internal combustion engines

Götze, A.; Makowski, S.; Kunze, T.; Hübner, M.; Zellbeck, H.; Weihnacht, V.; Leson, A.; Beyer, E.; Joswig, J.-O.; Seifert, G.; Abrasonis, G.; Posselt, M.; Fassbender, J.; Gemming, S.; Krause, M.

Tetrahedral amorphous carbon (ta-C) is studied as a tribological coating for the valve train’s exhaust camshaft of a combustion engine. The coated camshafts were installed in a non-fired engine, tested in a computerized component test bench under practice-relevant conditions and analyzed for their frictional behavior. A notable reduction of the valve train’s drive torque on the test bench is demonstrated. Namely, on a roller cam system with ta-C coated camshaft the reduction is about 15% in average within the entire engine-map. The ta-C coatings were extensively characterized under laboratory conditions before and after the investigations on the test bench. Mechanistic understanding of the tribological behavior of ta-C coatings under dry or starving lubricated conditions was achieved by atomistic simulations of the tribological contact. Industrial utilization of these results would lead to a significant increase of the energy efficiency of combustion engines.

Keywords: tribological coatings; tetrahedral amorphous carbon (ta-C); combustion engines; atomistic simulations

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Permalink: https://www.hzdr.de/publications/Publ-21009


Heterogeneous nucleation in cfd simulation of flashing flows in converging-diverging nozzle

Janet, J. P.; Liao, Y.; Lucas, D.

Flashing flow is an important industrial phenomenon present in many contexts. In flashing flow, a liquid boils in response to a depressurization. CFD is used to simulate the complex two-phase nature of flow, but nucleation is frequently neglected in these simulations. In this work, 3 models for wall nucleation in flashing flow are tested and compared against experimental data. The models are implemented as source terms at the walls only, consistent with experimental observations. The model proposed by Blinkov et al. (1993) is found to provide the best agreement with no parameter fitting. Axial properties and mass flow can be well predicted, but matching the radial profiles requires the addition of a bulk heterogeneous nucleating term, which is small in comparison to wall nucleation and has little impact on average properties but has a large effect on the vapour structure. Additionally, other effects such as coalescence influencing bubble size should be taken into account, since radial distribution of the vapour phase depends directly on the bubble size.

Keywords: Flashing; Nozzle; CFD; Nucleation; Depressurization

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  • TOPFLOW Facility

Permalink: https://www.hzdr.de/publications/Publ-21008


Imaging systems for dose monitoring in particle therapy

Fiedler, F.

no abstract available

  • Invited lecture (Conferences)
    Interdisciplinary Symposium ''Precision, Speed and Flexibility: New radiation detection methods for ion beam radiotherapy, 23.-25.10.2014, Heidelberg, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21007


Particle Therapy Positron Emission Tomography (PT-PET) for Treatment Verification

Fiedler, F.

Radiation therapy is an important treatment modality in cancer therapy. New radiation species, like protons and light ions have the potential of increasing tumor conformality of irradiation. Because of the way these particles deposit their energy on their path through tissue they allow for an increased dose deposition in the tumor volume and reduce the damage of the surrounding normal tissue.
High precision radiotherapy treatment requires efficient quality assurance techniques. Even small changes in the irradiated volume will lead to a mismatch of the deposited dose maximum and the tumor. This causes missing dose in the tumor volume and potential damage to normal tissue. Therefore, a treatment verification system is highly desirable. Between 1997 and 2008, the in-beam Positron Emission Tomography (PET) method was used at the GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt, Germany to monitor the dose delivered by 12C beams [1]. This method makes use of the β+-activity produced via nuclear interactions between the therapeutic beam and the patient tissue. The results and experiences of the clinical application of in-beam PET for carbon ions GSI will be shown. Based on this experience several approaches to improve the significance of the result have been studied.
Since the dose delivery is evaluated by means of a comparison between measured and simulated data a reliable prediction of β+-activity is crucial. To model the positron emitter production accurately, cross sections for all possible nuclear reactions occurring in the tissue during irradiation which lead to positron emitters are required. Since these cross sections are available only for a few reaction channels in the required energy range, a novel approach for estimating the positron emitter production from experimental data is introduced [2].
Up to now the comparison of the distributions is performed by well-trained observers (clinicians, physicists). This process is very time consuming and low in reproducibility. Therefore, a semi-automatic method has been developed evaluating the range and including a cavity filling detection algorithm. System inherent uncertainties are handled by means of a statistical approach [3, 4].
The Particle Therapy (PT)- PET method has been approved for static tumors under clinical conditions. However, also for intra-fractionally moving targets, the 4D simulation [5] as well as the 4D reconstruction [6] of PT-PET data has been established. By means of dedicated 4D-PET experiments the results of the comparison between measured and anticipated activities have been investigated.
References
[1] W. Enghardt, et al., Nucl. Instr. Meth A 525, 2004.
[2] M. Priegnitz, et al., IEEE Trans. Nucl. Sci. 59, 2012.
[3] S. Helmbrecht, et al., Phys. Med. Biol. 57, 2012.
[4] P. Kuess, et al., Med. Phys. 39, 2012.
[5] K. Laube, et al., Phys. Med. Biol. 58, 2013.
[6] K.Stützer, Phys. Med. Biol. 58, 2013.

  • Invited lecture (Conferences)
    Workshop on Range Assessment and Dose Verification in Particle Therapy, 29.-30.09.2014, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21006


Identifizierung der Oberflächenkomplexe von Radionukliden an Mineralphasen – Schwingungsspektroskopische Echtzeitexperimente

Foerstendorf, H.

Für eine verlässliche Beschreibung des Migrationsverhaltens von Radionukliden in der Umwelt ist unter anderem eine genaue Kenntnis der molekularen Prozesse an Mineraloberflächen in Aquiferen unverzichtbar. Unter den spektroskopischen Methoden, die sich auf diesem Forschungsfeld etabliert haben, hat sich die in situ Infrarotspektroskopie für Untersuchungen von Grenzflächenprozessen gelöster Schwermetallionen an festen Mineralphasen als besonders wertvoll erwiesen, da aus den schwingungsspektroskopischen Daten komplementäre Informationen auf molekularer Ebene erhalten werden. In diesem Vortrag soll ein Überblick über aktuelle Ergebnisse der Sorptionsreaktionen von Uran(VI) und Selen(VI) an Metalloxiden gegeben werden.
Mit Hilfe der in situ IR Spektroskopie lassen sich die Sorptions- und Desorptionsprozesse in Echtzeit unter umweltrelevanten Bedingungen untersuchen und somit können Rückschlüsse über die Art der Oberflächenkomplexe über die Reversibilität der Sorptionsreaktionen gezogen werden. Für das Uran wurde beispielsweise eine signifikant unterschiedliche Oberflächenkomplexierung an verschiedenen eisenhaltigen Mineralphasen beobachtet. Zudem lassen sich die Bildung ternärer Oberflächenkomplexe des Urans mit Carbonat- oder Phosphatliganden beobachten, womit weitere Einblicke in den Ablauf komplexerer Sorptionsprozesse gewonnen werden.
Das Selenatanion (SeVIO4 2−) zeigt generell schwache, überwiegend elektrostatische Wechselwirkungen (Physisorption) mit Mineralphasen im neutralen pH Bereich. Es hat sich jedoch gezeigt, dass diese Wechselwirkungen, die sog. außersphärische Komplexierung, auf verschiedenen Arten von Oberflächenkomplexen basieren kann. Auf Grund der hohen Selektivität der IR Spektroskopie bezüglich der Molekülsymmetrie, zeigen die Sorptionsexperimente des Se(VI) mit verschiedenen Mineralphasen die Bildung zweier unterschiedlicher Arten außersphärischer Komplexe.

  • Lecture (others)
    Institutsseminar des Instituts für Kernchemie, Universität Mainz, 02.02.2015, Mainz, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-21005


Hyperdoping Si with chalcogen: solid vs. liquid phase epitaxy

Liu, F.; Prucnal, S.; Gao, K.; Khalid, M.; Skorupa, W.; Helm, M.; Zhou, S.

Chalcogen-hyperdoped silicon shows potential applications in silicon-based infrared photodetectors and intermediate band solar cells. Due to the low solid solubility limits of chalcogen elements in Si, the materials were previously only realized by femtosecond or nanosecond laser annealing of implanted Si or bare Si in certain background gases. The high energy density deposited on the Si surface renders it into a liquid phase and the fast recrystallization velocity allows trapping of S/Se/Te into the Si matrix. However, this method encounters a problem of S/Se/Te surface segregation. In this Letter, we propose a solid phase processing by flash lamp annealing in the millisecond range, which is in between the conventional rapid thermal annealing and pulsed laser annealing. Flash lamp annealed Se-implanted Si shows a substitutional rate of more than 70% with the implanted concentration up to 1-2%. The resistivity is lower and the carrier mobility is higher than those of laser annealed samples. Our results show that flash lamp annealing is superior laser annealing in preventing surface segregation and in allowing scalability.

Keywords: Chalcogen elements; pulsed laser annealing

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  • Poster
    E-MRS 2014 FALL MEETING, 15.-18.09.2014, Warsaw, Poland

Permalink: https://www.hzdr.de/publications/Publ-21003


Hyperdoping Si with deep level impurities by ion implantation and short-time annealing

Liu, F.; Prucnal, S.; Gao, K.; Khalid, M.; Skorupa, W.; Helm, M.; Zhou, S.

Impurities play an important role in determining the electrical, optical and structural properties of semiconductors. It has been proposed that deep level impurities, such as Titanium (Ti) or chalcogens in Si, can induce an impurity band inside the bandgap at high enough doping concentration [1, 2]. The insertion of an impurity band can enhance the absorption at a broader wavelength range and leads to applications in the so-called intermediate band solar cell [3]. In the present work, we use ion implantation combined with short-time annealing to realize hyperdoping of Ti and chalcogens in Si. The structural, electrical and optical properties were determined by X-raydiffraction and Rutherford backscattering spectroscopy/channeling, electrical transport measurement and Raman spectroscopy. Analysis shows that the implanted Si layer can be recrystallized by both flashlamp and pulsed laser annealing. Ti ions mainly occupy the interstitial sites, while S and Se ions substitute the Si in the lattice. The consequent changes in electrical properties are also observed.

[1] J. Olea, G. González-Díaz, D. Pastor, I. Mártil, A. Martí, E. Antolín, and A. Luque, J. Appl. Phys. 109, 063718 (2011).
[2] Brion P. Bob, Atsushi Kohno, Supakit Charnvanichborikarn, Jeffrey M. Warrender, Ikurou Umezu, Malek Tabbal, James S. Williams, and Michael J. Aziz J. Appl. Phys. 107, 123506 (2010)
[3] A. Luque and A. Martí, Phys. Rev. Lett. 78, 5014 (1997).

Keywords: Ion implantation; deep level impurities

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  • Lecture (Conference)
    ION, 23.-26.06.2014, Kazimierz Dolny, Poland

Permalink: https://www.hzdr.de/publications/Publ-21002


Hyperdoping Si with deep level impurities by ion implantation and short-time annealing

Liu, F.; Prucnal, S.; Gao, K.; Khalid, M.; Skorupa, W.; Helm, M.; Zhou, S.

Impurities play an important role in determining the electrical, optical and structural properties of semiconductors. It has been proposed that deep level impurities, such as Titanium (Ti) or chalcogens in Si, can induce an impurity band inside the bandgap at high enough doping concentration [1, 2]. The insertion of an impurity band can enhance the absorption at a broader wavelength range and leads to applications in the so-called intermediate band solar cell [3]. In the present work, we use ion implantation combined with short-time annealing to realize hyperdoping of Ti and chalcogens in Si. The structural, electrical and optical properties were determined by X-raydiffraction and Rutherford backscattering spectroscopy/channeling, electrical transport measurement and Raman spectroscopy. Analysis shows that the implanted Si layer can be recrystallized by both flashlamp and pulsed laser annealing. Ti ions mainly occupy the interstitial sites, while S and Se ions substitute the Si in the lattice. The consequent changes in electrical properties are also observed.

[1] J. Olea, G. González-Díaz, D. Pastor, I. Mártil, A. Martí, E. Antolín, and A. Luque, J. Appl. Phys. 109, 063718 (2011).
[2] Brion P. Bob, Atsushi Kohno, Supakit Charnvanichborikarn, Jeffrey M. Warrender, Ikurou Umezu, Malek Tabbal, James S. Williams, and Michael J. Aziz J. Appl. Phys. 107, 123506 (2010)
[3] A. Luque and A. Martí, Phys. Rev. Lett. 78, 5014 (1997).

Keywords: Ion implantation; deep level impurities

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  • Poster
    Deutsche Physikalische Gesellschaft, 30.03.-04.04.2014, Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-21001


Ferromagnetic GaMnP prepared by ion implantation and pulsed laser annealing

Y, Yuan.

We present the magnetic, transport and structural properties of GaMnP with different Mn concentrations prepared by ion implantation and pulsed laser annealing. The Curie temperature increases with Mn concentration and the samples show in-plane magnetic anisotropy due to the in-plane compressive strain in the GaMnP layer. Anomalous Hall effect and negative magnetoresistance are observed, indicating the carrier mediated nature of the ferromagnetism in GaMnP. According to the micro-Raman spectroscopy data after pulsed laser annealing the implanted layer has been fully recrystallized and the carrier concentration (hole) increases with Mn concentration.

Keywords: Ferromagnetic semiconductors; GaMnP; Ion Implantation; Pulsed laser annealing

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  • Lecture (Conference)
    IEEE International Magnetics Conference, 04.-08.05.2014, Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-21000


Possible defect-induced ferromagnetism in Cr doped SiC single crystals

Liu, Y.; Zhou, S.; Wang, G.; Wang, S.; Sun, W.; Chen, X.

Defect-induced ferromagnetism (FM) was realized in non-magnetic materials, such as highly oriented pyrolytic graphite (HOPG), HfO2, and Li doped ZnO. Recently, such FM was also found in SiC by doping, neutron bombardment and ion implantation. As now SiC crystals are available in microelectronic grade, the good crystallinity makes SiC a kind of potential materials for spin electronics. However, one problem in defect-induced FM in bulk SiC crystals is that the magnetization induced by defects is not strong, which might increase the difficulty for the further study. Here, we demonstrate the enhanced defect-induced FM in Cr doped SiC. The 4H-SiC single crystals were grown by physical vapor transport method. The SiC sample is diamagnetic when the nominal doping density of Cr is below 0.5%, whereas the room-temperature FM reaching 1.5 x 10-3 emu/g is observed in SiC with 1% Cr doping. However, the actual Cr concentrations in magnetic SiC measured by secondary ion mass spectroscopy are nearly equal in both the nominal 0.5% and 1% samples, so Cr doping is not the origin of the FM. After annealing, the decreased magnetization suggests that the FM is closely associated with defects. However, we can not distinguish the defect types by positron annihilation lifetime spectroscopy or photoluminescence. The defects with higher dimensions rather than divacancies are proposed to induce the FM in Cr doped SiC. More efforts are needed to clarify this puzzling phenomenon.

Keywords: defect-induced ferromagnetism; SiC; Cr doping; semiconductors

  • Poster
    The 19th International Conference on Ion Beam Modification of Materials (IBMM 2014), 14.-19.09.2014, Leuven, Belgium

Permalink: https://www.hzdr.de/publications/Publ-20999


Possible defect-induced ferromagnetism in Cr doped SiC single crystals

Liu, Y.; Zhou, S.; Wang, G.; Wang, S.; Sun, W.; Chen, X.

Defect-induced ferromagnetism (FM) was realized in non-magnetic materials, such as highly oriented pyrolytic graphite (HOPG), HfO2, and Li doped ZnO. Recently, such FM was also found in SiC by doping, neutron bombardment and ion implantation. As now SiC crystals are available in microelectronic grade, the good crystallinity makes SiC a kind of potential materials for spin electronics. However, one problem in defect-induced FM in bulk SiC crystals is that the magnetization induced by defects is not strong, which might increase the difficulty for the further study. Here, we demonstrate the enhanced defect-induced FM in Cr doped SiC. The 4H-SiC single crystals were grown by physical vapor transport method. The SiC sample is diamagnetic when the nominal doping density of Cr is below 0.5%, whereas the room-temperature FM reaching 1.5 x 10-3 emu/g is observed in SiC with 1% Cr doping. However, the actual Cr concentrations in magnetic SiC measured by secondary ion mass spectroscopy are nearly equal in both the nominal 0.5% and 1% samples, so Cr doping is not the origin of the FM. After annealing, the decreased magnetization suggests that the FM is closely associated with defects. However, we can not distinguish the defect types by positron annihilation lifetime spectroscopy or photoluminescence. The defects with higher dimensions rather than divacancies are proposed to induce the FM in Cr doped SiC. More efforts are needed to clarify this puzzling phenomenon.

Keywords: defect-induced ferromagnetism; SiC; Cr doping; semiconductors

  • Poster
    E-MRS 2014 SPRING MEETING, 26.-30.05.2014, Lille, France

Permalink: https://www.hzdr.de/publications/Publ-20998


XFM studies of plutonium dispersed in an arid environment

Ikeda-Ohno, A.; Johansen, M. P.; Payne, T. E.; Hotchkis, M. A. C.; Child, D. P.

The soil particles collected at a former British nuclear test site in Australia were investigated by synchrotron-based X-ray fluorescence microscopy (XFM), in order to determine the chemical speciation of radioactive nuclides retained in the particles. The results demonstrate that the particles contain a high concentration of Pu which derives from the original nuclear bomb material. The outcomes of this study would have a potential impact on the safety and environmental assessment associated with the former nuclear test sites.

Keywords: actinides; plutonium; synchrotron; X-ray fluorescence microscopy; environment; speciation

  • Lecture (Conference)
    12th International Conference on X-Ray Microscopy (XRM 2014), 26.-31.10.2014, Melbourne, Australia

Permalink: https://www.hzdr.de/publications/Publ-20997


Ferromagnetic InMnAs prepared by Ion implantation and pulsed laser annealing

Yuan, Y.; Wang, Y.; Khalid, M.; Weschke, E.; Skorupa, W.; Helm, M.; Zhou, S.

Ferromagnetic InMnAs has been previously prepared by low temperature MBE. In this contribution, we present an alternative method what combines Mn ion implantation and pulsed laser annealing to achieve In1-xMnxAs (x = 0.04 and 0.08) [1], and to obtain a remarkably high Curie Temperature (TC) up to 80 K compared to InMnAs with the same Mn concentration as prepared by MBE. The advantage of pulsed laser annealing is its high process temperature within the nano-second range, eliminating n-type defects which can decrease its magnetization and TC. The saturation magnetization is ~2.6μB / Mn by consideration of all implanted Mn ions. The out-of-plane [001] is the easy axis displaying a nearly square like hysteresis loop. Our results suggest that InMnAs prepared by ion implantation and pulsed laser annealing shows a promising prospect to get high TC DMS after optimizing the preparation parameters.

Keywords: Ferromagnetic Semiconductors; Ion Implantation; Pulsed laser annealing

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  • Poster
    DPG-Frühjahrstagung, 30.03.-04.04.2014, Dresden, Germany

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Local instabilities in magnetized rotational flows: A short-wavelength approach

Kirillov, O.; Stefani, F.; Fukumoto, Y.

We perform a local stability analysis of rotational flows in the presence of a constant vertical magnetic field and an azimuthal magnetic field with a general radial dependence. Employing the short-wavelength approximation we develop a unified framework for the investigation of the standard, the helical, and the azimuthal version of the magnetorotational instability, as well as of current-driven kink-type instabilities. Considering the viscous and resistive setup, our main focus is on the case of small magnetic Prandtl numbers which applies, e.g., to liquid metal experiments but also to the colder parts of accretion disks. We show that the inductionless versions of MRI that were previously thought to be restricted to comparably steep rotation profiles extend well to the Keplerian case if only the azimuthal field slightly deviates from its current-free (in the fluid) profile. We find an explicit criterion separating the pure azimuthal inductionless magnetorotational instability from the regime where this instability is mixed with the Tayler instability. We further demonstrate that for particular parameter configurations the azimuthal MRI originates as a result of a dissipation-induced instability of the Chandrasekhar's equipartition solution of ideal magnetohydrodynamics.

Keywords: magnetorotational instability; Chandrasekhar's equipartition solution; dissipation-induced instabilities; diffusive instabilities; magnetohydrodynamics

Permalink: https://www.hzdr.de/publications/Publ-20995


Electronical and structural changes induced by the incorporation of Am into conventional fuels

Prieur, D.; Carvajal-Nunez, U.; Vigier, J.-V.; Somers, J.; Bes, R.; Martin, P.; Lebreton, F.; Caisso, M.; Delahaye, T.; Scheinost, A. C.; Hennig, C.; Pruessmann, T.; Vitova, T.; Kvashnina, K. O.

241Am is one of the most hazardous actinide isotopes present in the spent fuel Transmutation in fast neutrons reactors :

conversion of highly radioactive elements into short-lived isotopes
Dramatic reduction of the nuclear waste inventory (< 300 years)
Two strategies :
Homogeneous transmutation : Incorporation of MA in low concentration (<5%) to the conventional MOX fuel Am-MOX, Np-MOX, etc.
Heterogeneous transmutation : Incorporation of MA in high concentration (5-30%) in dedicated assemblies at the core periphery
(U,Am)O2, (Pu,Am)O2, etc.

Keywords: Transmutation; americium; XAFS

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  • Lecture (Conference)
    NUMAT 2014, 27.-30.10.2014, Hilton Clearwater, Florida, U.S.A.

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Ion beam synthesis of the full spectrum of III-V:Mn ferromagnetic semiconductors

Zhou, S.

Ferromagnetic semiconductors have been under intensive investigation during the last decade. Until now, III-Mn-V based compound semiconductors are the only well accepted class of materials. The prototype ferromagnetic semiconductor GaMnAs has revealed a variety of unique features induced by the combination of its magnetic and semiconducting properties. To prepare ferromagnetic semiconductors, one needs to dope the host with up to 5-10% Mn, which is far beyond the solid solubility of Mn in III-V compounds. As a non-equilibrium process, ion implantation can introduce enough dopants as required. However, the activation of dopants remains challenging due to the clustering of implanted ions during post-annealing. The solubility limit is a fundamental barrier for dopants incorporated into a specific semiconductor. On the other hand, one notes that the solubility limit in the liquid phase is generally much larger than that in the solid phase. Short-time annealing in the millisecond or nanosecond regime allows the epitaxial growth from a liquid phase. The mature development and commercialization of ion implantation promise the versatility. The approach combining ion implantation and pulsed laser melting allows us to prepare ferromagnetic semiconductors covering the full spectrum of III-V compound semiconductors. We have successfully synthesized ferromagnetic Mn doped III-V from InAs and GaAs to InP and GaP with different bandgaps. The results of magnetization, magnetic anisotropy, resistivity, anomalous Hall effect, magnetoresistance and x-ray magnetic circular dichroism obtained from the synthesized samples confirm the intrinsic origin and the carrier-mediated nature of the ferromagnetism. Moreover, in different III-V hosts we observe distinct differences regarding the magnetic anisotropy and conduction mechanism which are related with the intrinsic parameters such as the lattice mismatch, energy gap and the acceptor level of Mn. These results could allow a panorama-like understanding of III-V:Mn based ferromagnetic semiconductors.
[1] D. Bürger, S. Zhou, et al., Phys. Rev. B 81, 115202 (2010).
[2] S. Zhou, et al., Appl. Phys. Lett. 96, 202105 (2010).
[3] S. Zhou, et al., Appl. Phys. Express 5, 093007 (2012).
[4] M. Khalid et al., Phys. Rev. B., 89, 121301(R) (2014).
[5] Y. Yuan, et al, IEEE Tran. Magn., in press (2014).

Keywords: Magnetic semiconductors; Ion implantation

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  • Invited lecture (Conferences)
    E-MRS 2014 SPRING MEETING, 26.-30.05.2014, Lille, France
  • Invited lecture (Conferences)
    The Moscow International Symposium on Magnetism 2014, 29.06.-03.07.2014, Moscow, Russia
  • Invited lecture (Conferences)
    X-th International Conference - Ion Implantation and Other Applications of Ions and Electrons, 23.-26.06.2014, Kazimierz Dolny, Poland

Permalink: https://www.hzdr.de/publications/Publ-20993


Surface protection of titanium and titanium-aluminum alloys against environmental degradation at elevated temperatures

Yankov, R.; von Borany, J.; Munnik, F.; Donchev, A.; Schütze, M.

Ti and its alloys with Al are a class of lightweight materials, which find extensive use in a number of advanced aerospace, automotive and power generation applications. These materials, however, are limited in applicability by their poor oxidation resistance at elevated temperatures (> 500°C for Ti, and > 750°C for TiAl).
We have developed a technique for protecting the above-mentioned materials against high-temperature environmental degradation (oxidation and embrittlement). In the case of TiAl alloys of an Al content of about 40 to 60 at.% , the technique has involved a single step, i.e. plasma immersion ion implantation (PIII) of fluorine, making use of the so-called “fluorine effect”. Optimum process parameters have been established under which the F-implanted TiAl alloys acquire a stable, adherent and highly protective alumina scale upon subsequent high-temperature oxidation in air. The extent of oxidation protection has been evaluated by testing F-implanted TiAl samples either isothermally or under conditions of thermal cyclic oxidation at temperatures ranging from 900° to 1050°C, and for times as long as 6000 hours. Results from characterization by elastic recoil detection analysis (ERDA), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray analysis (EDX) and Rutherford backscattering spectrometry (RBS) have proven the possibility of forming a protective alumina scale on both laboratory coupons and machine components such as jet turbine blades and turbochargers. In the case of Ti and low-Al-content Ti-Al alloys, e.g. Ti3Al, the technique has involved two steps, namely Al enrichment (aluminization) of the material’s near-surface, and introduction of F by PIII to activate the fluorine effect. Under optimized process conditions, the Ti and Ti3Al samples so modified have shown marked environmental stability at temperatures as high as 700°C and for extended oxidation times due to the presence of a protective alumina layer.

Keywords: titanium; titanium aluminides; high-temperature oxidation protection

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    28th International Conference on Surface Modification Technologies (SMT), 16.-18.06.2014, Tampere, Finland

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Improvement of the resistance of titanium aluminides to environmental embrittlement

Masset, P. J.; Bleicher, F.; Bortolotto, L.; Geiger, G.; Kolitsch, A.; Langlade, C.; Paul, J.; Pelic, B.; Pyczak, F.; Rafaja, D.; Schumacher, P.; Schütze, M.; Wolf, G.; Yankov, R. A.

Aluminum enriched coatings have been developed for titanium aluminide alloys. It has been shown that Metal Organic Chemical Vapor Deposition (MO-CVD) and Physical Vapor Deposition (PVD) processes combined with fluorination of the coating enables to reduce significantly the embrittlement of TiAl alloys through oxidation. Even after oxidation at 900 °C for 100h, the coatings exhibit suitable adhesion and 90 % of the fracture toughness and ductility of the alloy are maintained.

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GGR Biennial Critical Review: Analytical Developments Since 2012

Wiedenbeck, M.; Bédard, P. L.; Bugoi, R.; Horan, M.; Linge, K.; Merchel, S.; Morales, L. F. G.; Savard, D.; Souders, A. K.; Sylvester, P.

Advances in the chemical, crystallographic and isotopic characterization of geological and environmental materials can often be ascribed to technological improvements in analytical hardware or to innovative approaches to data acquisition and/or its interpretation. This biennial review addresses key laboratory methods that form much of the foundation for analytical geochemistry; again this contribution is presented as a compendium of laboratory techniques. We highlight advances that have appeared since January 2012 and which are of particular significance for the chemical and isotopic characterization of geomaterials. Prominent scientists from the selected analytical fields present publications they judge to be particular noteworthy, providing background information about the method and assessing where further opportunities might be anticipated. In addition to well established technologies such as thermal ionization mass spectrometry and plasma emission spectroscopy, this publication also presents new or rapidly growing methods such as electron backscattered diffraction analysis and atom probe tomography – a very sensitive method providing atomic scale information.

Keywords: ICPMS; laser ablation; mass spectrometry; ICP-AES; microwave plasma source; TIMS; isotopic analysis; geochronology; trace element analysis; calibration; XRF; environmental sampling; AMS; Ion Beam Analysis; radionuclides; SIMS; ion probe; microanalysis; FIB; EBSD; atom probe tomography

Permalink: https://www.hzdr.de/publications/Publ-20990


Generation of few-group constants with Serpent: Application examples

Fridman, E.

The purpose of this presentation is to demonstrate the capability of the Serpent Monte Carlo code to generate few-group constants for existing and innovative reactor systems

  • Invited lecture (Conferences)
    PHYSOR 2014, Workshop on new features and capabilities in the Serpent 2 Monte Carlo code, 28.09.-03.10.2014, Kyoto, Japan

Permalink: https://www.hzdr.de/publications/Publ-20989


Development of new coatings to prevent environmental embrittlement of titanium aluminides

Masset, P.; Bleicher, F.; Bortolotto, L.; Geiger, G.; Kolitsch, A.; Langlade, C.; Paul, J.; Pelic, B.; Pyczak, F.; Rafaja, D.; Schumacher, P.; Schütze, M.; Wolf, G.; Yankov, R.

Abstract: For temperatures above 750°C, TiAl alloys still show insufficient oxidation resistance and suffer from environmental embrittlement. This work focuses on the surface modification of alloys and development of coatings against environmental embrittlement, as well as on testing of mechanical properties after high temperature oxidation. Aluminum enriched coatings (between 50 and 60 at.%) containing alloying elements, i.e. Cr, Nb, Si, Y, to improve the oxidation behavior and the corrosion resistance have been produced by MO-CVD, CVD, PVD and thermal spraying techniques (HVOF, APS), and have subsequently been chemically modified with halogen elements, notably fluorine. The mechanical properties have been studied by means of 4-point bending and tensile tests on coated samples after 100h oxidation at 900 °C in laboratory air. The CVD process combined with fluorine treatment using plasma immersion implantation (PI³) of F offers the best combination to remedy environmental embrittlement. It has been shown in particular that 90% of the initial fracture strain and fracture stress can be maintained.

Keywords: titanium; titanium aluminides; high-temperature oxidation; protective coatings

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  • Lecture (Conference)
    TMS 2014, 143rd Annual Meeting & Exhibition, 16.-20.02.2014, San Diego, United States

Permalink: https://www.hzdr.de/publications/Publ-20988


Protection of Ti-alloys against high temperature environmental attack by a two step process, aluminization + fluorination

Donchev, A.; Galetz, M.; Schütze, M.; Yankov, R.; Kolitsch, A.

Ti-alloys cannot be used at elevated temperatures above approximately 600°C in oxidizing environments. They suffer from accelerated oxidation and oxygen uptake in the subsurface zone, which deteriorates the mechanical properties. The addition of Al (usually < 10%) into standard Ti-alloys is not enough to form a protective alumina layer. Aluminization of technical Ti-alloys and formation of intermetallic Al-rich phases (e.g. TiAl3) change the oxidation behavior from fast and non-protective rutile formation to slow growing alumina kinetics, but only for a limited period of time. A subsequent fluorination of the aluminized components gets the fluorine effect to operate. This is away to improve the resistance of technical Ti-alloys against environmental attack, even for longer service times. In this paper the results of high temperature oxidation tests of several untreated and treated Ti-alloys will be presented and their behavior compared.

Keywords: Environmental embrittlement; Fluorine effect; Oxidation

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  • Contribution to proceedings
    TMS 2014 143rd TMS Annual Meeting 2014, 16.-20.02.2014, San Diego, United States
    TMS 2014 Supplemental Proceedings, 9781118889725, 79-85
    DOI: 10.1002/9781118889879

Permalink: https://www.hzdr.de/publications/Publ-20987


Potential Impairment of Core Coolability during LOCA due to Precipitation of Zinc Borate

Pointner, W.; Kryk, H.; Kästner, W.; Austregesilo, H.

Within the framework of German nuclear safety research, generic experimental investigations were carried out at HZDR and the Hochschule Zittau/Görlitz aiming at the elucidation of physicochemical and thermo hydraulic mechanism of corrosion product formation, which may occur during the sump circulation operation after loss-of-coolant accidents in pressurized water reactors.
The contact of the boric acid containing coolant with hot-dip galvanized steel containment internals causes corrosion of the corresponding materials resulting in dissolution of the zinc coating. As main result of batch experiments, decreasing solubility of zinc corrosion products in boric acid solutions with increasing temperature was found. Thus, the formation and deposition of solid corrosion products cannot be ruled out if zinc containing coolant is heated up due to its recirculation into hot regions within the cooling circuit. Generic corrosion and deposition experiments at a lab-scale test facility proved that dissolved zinc, formed at low temperatures in boric acid solution by zinc corrosion, may turn into solid deposits of zinc borates when contacting heated zircaloy surfaces during the heating of the coolant. The results obtained at lab-scale were confirmed by generic experiments at semi-technical scale using a 3x3 heating rod configuration including spacer segments as well as a 16x16 (8x8 heated) fuel rod dummy.
Experiments regarding the corrosion kinetics of zinc-coated components were not subject of the study. Therefore, a quantitative transferability of the results to postulated PWR-LOCA is not given so far.

Keywords: pressurized water reactor; loss-off-coolant accident; corrosion; zinc; boric acid; in-vessel effects

  • Lecture (Conference)
    17th WGAMA Meeting, 23.-26.09.2014, Paris, France

Permalink: https://www.hzdr.de/publications/Publ-20986


Recent developments in surface protection of titanium and titanium-aluminum alloys against environmental degradation at elevated temperatures

Yankov, R.; von Borany, J.; Masset, P. J.; Donchev, A.; Schütze, M.

Titanium and its alloys with aluminum are lightweight structural materials, which find ever-increasing use in a number of advanced aerospace, automotive and power generation applications. These materials, however, are limited in applicability by their inadequate oxidation resistance at elevated temperatures (> 500°C for Ti, and > 750°C for TiAl).
This talk reviews recent advances in using state-of-the-art techniques for surface engineering of Ti, Ti-base alloys and γ-TiAl intermetallics, with a view to rendering them resistant to high-temperature environmental oxidation and oxygen embrittlement.
The first part of the talk covers the surface modification of Ti and low-Al-content Ti-base alloys by using combined techniques involving either aluminization followed by plasma immersion ion implantation (PIII) of fluorine or formation of a surface barrier coating by magnetron sputter co-deposition of Ti and Al followed by vacuum annealing and PIII of F.
The second part focuses on the direct surface treatment of γ-TiAl by PIII of F. Such type of fluorination enables the F-implanted alloy surface to develop a stable, adherent and highly protective alumina scale upon subsequent oxidation in air at temperatures in excess of 1000°C for extended exposure times.
The last part deals with the fabrication of protective TiAl coatings using a two-step coating scheme. First, an Al-rich TiAl layer is formed on the γ-TiAl alloy by either MO-CVD, PVD or thermal spraying. Then the TiAl layer is treated by PIII of F. The resulting coatings are tested for oxidation resistance, oxygen embrittlement, and retention of mechanical properties. A combination of an Al-rich CVD coating and treatment by PIII of F gives the best results. An example is also given of a thermal barrier coating whose structure comprises, instead of a bond coat, a thin alumina layer formed by PIII of F and subsequent high-T oxidation. The results of these studies have been helpful in understanding the oxidation behavior of the surface-engineered alloys from both a scientific and a technological standpoint.

Keywords: titanium; titanium aluminides; high-temperature oxidation; protective coatings

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  • Invited lecture (Conferences)
    Shechtman International Symposium, 29.06.-04.07.2014, Cancun, Mexico

Permalink: https://www.hzdr.de/publications/Publ-20985


The Use of Plasma Immersion Ion Implantation in the High-Temperature Oxidation Protection of Low-Al-Content Ti-Base Alloys and TiAl Intermetallics

Yankov, R.; von Borany, J.; Pelic, B.; Donchev, A.; Schütze, M.

Low-Al content Ti-base alloys and TiAl intermetallics are attractive lightweight materials for advanced medium-temperature (500°-750°C) structural applications including components such as jet engine and industrial gas turbine blades, turbocharger rotors and automotive engine valves. However, envisaged service temperatures are in the range of 750° to 1050°C at which these alloys are prone to both destructive oxidation and oxygen embrittlement. Therefore, development of surface-engineering techniques for preventing high-T environmental damage is critical in exploiting the advantages of the TiAl alloys to their fullest extent.
We propose two techniques for protecting candidate Ti-base and TiAl alloys from high-temperature (>750°C) oxidation environments. The first technique involves a single step, namely treating the alloys directly by plasma immersion ion implantation (PIII) of fluorine using a mixture of CH2F2+6.25% Ar as the precursor gas. This technique is applicable to TiAl alloys of an Al content of ~ 45 to 55 at.%. The F implant dose has been found to depend critically on the gas flow rate ratio (GFRR, i.e. CH2F2/Ar) while the resulting F depth profiles show dependence on both the GFRR and the alloy material. Optimum implantation conditions have been established under which the F-implanted alloy surface is able to form a highly protective Al2O3 film upon subsequent oxidation in air. Oxidation resistance has been evaluated by thermal gravimetric analysis (TGA) at temperatures as high as 1050°C for extended exposure times.
The alternative technique is applicable to low-Al-content Ti-base alloys (< 40 at.% Al). It involves the fabrication of a barrier coating in a three-step process, namely formation of a Ti+Al layer by magnetron co-sputtering of Ti and Al followed by vacuum annealing to form a gamma-TiAl coating and, finally, PIII of fluorine. The coating so formed has been shown to prevent further oxidation of the base material at elevated temperatures.

Keywords: Plasma Immersion Ion Implantation; High-Temperature Oxidation; TiAl Intermetallics

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  • Poster
    19th International Conference on Ion Beam Modification of Materials (IBMM), 14.-19.09.2014, Leuven, Belgium

Permalink: https://www.hzdr.de/publications/Publ-20984


Internal Dose Assessment of (-)-18F-Flubatine, Comparing Animal Model Datasets of Mice and Piglets with First-in-Human Results

Sattler, B.; Kranz, M.; Starke, A.; Wilke, S.; Donat, C. K.; Deuther-Conrad, W.; Patt, M.; Schildan, A.; Patt, J.; Smits, R.; Hoepping, A.; Schoenknecht, P.; Steinbach, J.; Brust, P.; Sabri, O.

(−)-18F-flubatine is a promising tracer for neuroimaging of nicotinic acetylcholine receptors (nAChRs), subtype α4β2, using PET. Radiation doses after intravenous administration of the tracer in mice and piglets were assessed to determine the organ doses (ODs) and the effective dose (ED) to humans. The results were compared with subsequent clinical investigations in human volunteers.
Methods:
Twenty-seven female CD1 mice (weight ± SD, 28.2 ± 2.1 g) received intravenous injection of 0.75 ± 0.33 MBq of (−)-18F-flubatine. Up to 240 min after injection, 3 animals per time point were sacrificed and the organs harvested, weighed, and counted in a γ counter to determine mass and activity, respectively. Furthermore, whole-body PET scans of 5 female piglets (age ± SD, 44 ± 3 d; weight ± SD, 13.7 ± 1.7 kg) and 3 humans (2 men and 1 woman; age ± SD, 59.6 ± 3.9 y; weight ± SD, 74.3 ± 3.1 kg) were obtained up to 236 min (piglets) and 355 min (humans) after injection of 186.6 ± 7.4 and 353.7 ± 10.2 MBq of (−)-18F-flubatine, respectively, using a PET/CT scanner. The CT was used for delineation of the organs. Exponential curves were fitted to the time–activity-data, and time and mass scales were adapted to the human anatomy. The ODs were calculated using OLINDA/EXM (version 1.0); EDs were calculated with the tissue-weighting factors of ICRP103.
Results:
After the injection of (−)-18F-flubatine, there were no adverse or clinically detectable pharmacologic effects in any of the subjects. The highest activities after injection were found in the kidneys, urinary bladder, and liver. The urinary bladder receives the highest OD in all investigated species, followed by the kidneys and the liver for animals and humans, respectively. On the basis of mouse, piglet, and human kinetic data, the projected human ED of (−)-18F-flubatine was estimated to be 12.5 μSv/MBq in mice, 14.7 ± 0.7 μSv/MBq in piglets, and 23.4 ± 0.4 μSv/MBq in humans.
Conclusion:
As has been demonstrated for other PET radiotracers, preclinical (i.e., animal-derived) dosimetry underestimates the ED to humans, in the current case of (−)-18F-flubatine by 34%–44%.

Keywords: radiation dosimetry; positron emission tomography; (−)-18F-flubatine; nicotinic receptors; α4β2

Permalink: https://www.hzdr.de/publications/Publ-20983


Velocity measurements of heavy liquid metal flows by the Ultrasound Doppler method

Franke, S.; Eckert, S.; Gundrum, T.; Gerbeth, G.

The application of heavy liquid metals as coolant or heat transfer medium in advanced reactor systems demands for a comprehensive knowledge of the flow characteristics. CFD simulations are the main tool to predict the flow behaviour, however, the numerical models have to be validated by experimental data. Flow measurements in hot liquid metals are challenging and the available choice of measuring techniques is rather limited. A great deal of work was done during the last decade to develop suitable measuring principles for applications in metallic melts. The Ultrasound Doppler method can be considered as an attractive technique to obtain real-time velocity profiles in liquid metal flows. Flow measurements in hot metallic melts involve several specific problems, especially the high temperature and the abrasive character of the melt. Furthermore, a sufficient input of acoustic energy into the melt to be measured requires favourable conditions concerning acoustic coupling, transmission and wetting. Moreover, the availability of seeding particles has to be guaranteed to obtain Doppler signals from the fluid. We will present a concept for velocity measurement in a liquid metal channel flow based on high temperature transducer probes in combination with a matched mechanical design of the probe seating. Specific measuring procedure enables us for reliable measurements in a temperature range up to 230°C. The measuring principles are successfully applied at experimental facilities operating with different metal alloys and geometric configurations: At the LIMMCAST (Liquid Metal Model for Continuous Casting) facility of Helmholtz-Zentrum Dresden-Rossendorf we studied the flow profile of a Sn60Bi40 alloy in a circular pipe. Furthermore, the LBE duct flow of the META:LIC loop (Megawatt Target: Lead Bismuth Cooled) at the Institute of Physics in Riga-Salaspils (University of Latvia) was measured. Parametric studies of the velocity profile measurements in the ducts will be presented here. Specific problems arising for the application of the Ultrasound Doppler method in the considered experimental configuration will be discussed.

Keywords: Hot metallic melt flow measurements; Heavy liquid metal coolant; LBE; Ultrasound Doppler velocimetry; LIMMCAST; META:LIC

  • Lecture (Conference)
    SEARCH/MAXSIMA 2014 International Workshop, 07.-10.10.2014, Karlsruhe, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-20982


Hydrolysis of tetravalent cerium Ce(IV)) - A multi-spectroscopic study on nanocrystalline CeO2 formation

Ikeda-Ohno, A.; Weiss, S.; Tsushima, S.; Hennig, C.

Because of the flexibility between the tri- and tetravalent oxidation states, cerium (Ce) is known to be the only rare earth element (REE) forming a stable pure stoichiometric dioxide compound (CeO2). Owing to this chemical specificity along with the highest natural abundance of Ce among all REEs, the application of CeO2 has spread over a variety of fields. More recently, CeO2 has been employed as nanoparticles with many technological applications, which include the catalysts for harmful gas treat-ment the water gas shift reaction, electrodes for solid oxide fuel cells and a medical use as an artificial superoxide dismutase. These versatile and still emerging applications of CeO2 still require a simpler and more efficient synthetic strategy, particularly for manufacturing CeO2 nanoparticles.
The hydrolysis of tetravalent cerium (Ce(IV)) is a primary step of many wet syntheses for fabricating CeO2 nanoparticles, although all the reported synthetic methods require additional processes, such as heating, adding organic solvents or calcination, subsequent to the initial hydrolysis step to finally yield CeO2 nanoparticles. This means that understanding of the hydrolysis mechanism of Ce(IV) would be beneficial to developing a new concept for the efficient production of CeO2 nanoparticles. Based on this background, this study focuses on the systematic investigation of the hydrolysis behaviour of Ce(IV) using synchrotron-based X-ray techniques (X-ray absorption spectroscopy (XAS) and high en-ergy X-ray scattering (HEXS)), dynamic light scattering (DLS) and transmission electron microscopy (TEM).

Keywords: cerium; Ce(IV); hydrolysis; nanocrystals; XAS; HEXS; DLS; TEM

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  • Lecture (Conference)
    Advanced Techniques in Actinide Spectroscopy 2014 (ATAS 2014), 03.-07.11.2014, HZDR Dresden, Germany

Permalink: https://www.hzdr.de/publications/Publ-20980


Liquid backmixing in an inclined rotating tubular fixed bed reactor - Augmenting liquid residence time via flow regime adjustment

Härting, H.-U.; Berger, R.; Lange, R.; Larachi, F.; Schubert, M.

The liquid residence time and backmixing in an inclined rotating tubular fixed bed reactor, operated with gas-liquid co-current downflow, are studied experimentally. This novel reactor concept is introduced to extent the process intensification strategies of chemical multiphase reactors. The intermittent catalyst immersion due to rotation induces a continuous refreshment of the liquid at the catalyst surface and enhances the access of the gas phase to the catalyst in the drained section of the fixed bed. Depending on the inclination angle and rotational velocity, different flow regimes are observed. In particular, the flow regimes with stratified gas-liquid flow can be utilized to enhance the performance of the reactor for heterogeneous catalytic reactions.
The backmixing study is based on the method of the imperfect tracer pulse and the propagation of the tracer is measured by low-intrusive wire-mesh sensors. Compared to conventional trickle bed reactors, the liquid residence time and axial dispersion are increased by the inclination and rotation. The effects of reactor inclination angle and rotational velocity as well as of particle size and liquid superficial velocity on the liquid backmixing in the inclined rotating tubular fixed bed reactor are shown in detail.

Keywords: liquid backmixing; residence time; axial dispersion; flow regimes; gas-liquid flow; process intensification

Permalink: https://www.hzdr.de/publications/Publ-20979


Formation of zinc corrosion products at water-chemical PWR post-LOCA conditions - Physicochemical effects

Kryk, H.; Hoffmann, W.

During loss-of-coolant accidents (LOCAs) in pressurized water reactors (PWRs), coolant spilling from the leak in the primary cooling circuit is collected in the reactor sump and recirculated to the reactor core by low pressure injection pumps as part of the emergency core cooling system. The long-term contact of the boric acid containing coolant with hot-dip galvanized steel containment inter-nals (e.g. grating treads, channels, supporting grids of sump strainers) may cause corrosion of the corresponding materials influencing the cooling water chemistry due to dissolution of the zinc coating. Experimental investigations regarding the solubility of Zn corrosion products in boric acid solutions resulted in a decreasing solubility with increasing temperature. Thus, the formation of solid (i.e. particulate) corrosion products cannot be ruled out if the Zn containing coolant is heated up due to its recirculation into hot zones.
During lab-scale experiments, significant amounts of solid corrosion products have been found as deposited layers on hot surfaces as well as in the form of deposits at tubes, fittings and retaining components depending on formation temperature and hydrodynamic conditions. The solid corrosion products were identified as zinc borates. Depending on their forming temperature, different zinc borate compounds may occur having different physicochemical properties.
Although the kinetics of the processes obtained at lab-scale are not transferable to those proceeding during a PWR LOCA due to their dependency on the corroding surface area as well as on the local thermal hydraulics, the results give an insight into physicochemical processes, which might occur in case of zinc corrosion in cooling circuits.

Keywords: loss-of-coolant accident; pressurized water reactor; corrosion; zinc; zinc borate; chemical effects

  • Lecture (Conference)
    Annual Meeting on Nuclear Technology 2014, 06.-08.05.2014, Frankfurt, Deutschland
  • Contribution to proceedings
    Annual Meeting on Nuclear Technology 2014, 06.-08.05.2014, Frankfurt, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-20978


Partikelentstehung und -transport im Kern von Druckwasserreaktoren - Thermo- und fluiddynamische Mechanismen

Renger, S.; Kästner, W.; Alt, S.; Seeliger, A.; Kryk, H.; Hoffmann, W.

Im Rahmen der Reaktorsicherheitsforschung erfolgten an der Hochschule Zittau/Görlitz in Kooperation mit dem Helmholtz-Zentrum Dresden-Rossendorf experimentelle und methodische Untersuchungen für die systematische Klärung physiko-chemischer Mechanismen und deren Auswirkungen auf thermo-fluiddynamische Prozesse, welche während des Sumpfumwälzbetriebs nach Kühlmittelverluststörfällen in einem Kernkraftwerk ablaufen können, falls in boriertem Kühlmittel (KM) gelöstes Zink in Kernbereiche höherer Temperatur (Hot-Spots) gelangt. Das im KM befindliche Zink kann hierbei im Vorfeld durch die Korrosion feuerverzinkter Bauteile freigesetzt werden.
In den Untersuchungen im halbtechnischen Maßstab wurden die physiko-chemischen Mechanismen und der Temperatureinfluss analysiert. Gleichzeitig wurden Auswirkungen dieser Prozesse auf das thermo-fluiddynamische Verhalten in einer Heizstabkonfiguration (3x3-Anordnung mit für Druckwasserreaktoren (DWR) typischen Zirkaloy-Hüllrohren) mit Abstandshaltern erfasst. Im Fokus der Untersuchungen stand dabei das Verhalten derart zusammengesetzter Fluide an beheizten Konfigurationen, die im Kern von DWR auftreten können.
Die durchgeführten Untersuchungen tragen generischen Charakter und liefern Aussagen zum Löslichkeitsverhalten von Zink in borsäurehaltigem KM sowie zur Bildung fester Korrosionsprodukte und den daraus folgenden Auswirkungen.

Keywords: loss-of-coolant accident; pressurized water reactor; corrosion; zinc; chemical effects

  • Poster
    46. Kraftwerkstechnisches Kolloquium 2014, 14.-15.10.2014, Dresden, Deutschland

Permalink: https://www.hzdr.de/publications/Publ-20977


Light-Induced Switching of Tunable Single-Molecule Junctions

Sendler, T.; Luka-Guth, K.; Wieser, M.; Lokamani, M.; Wolf, J.; Helm, M.; Gemming, S.; Kerbusch, J.; Scheer, E.; Huhn, T.; Erbe, A.

A major goal of molecular electronics is the development and implementation of devices such as single-molecular switches. Here, measurements are presented that show the controlled in situ switching of diarylethene molecules from their nonconductive to conductive state in contact to gold nanoelectrodes via controlled light irradiation. Both the conductance and the quantum yield for switching of these molecules are within a range making the molecules suitable for actual devices. The conductance of the molecular junctions in the opened and closed states is characterized and the molecular level E0 , which dominates the current transport in the closed state, and its level broadening Γ are identified. The obtained results show a clear light-induced ring forming isomerization of the single-molecule junctions. Electron withdrawing side-groups lead to a reduction of conductance, but do not influence the efficiency of the switching mechanism. Quantum chemical calculations of the light-induced switching processes correlate these observations with the fundamentally different low-lying electronic states of the opened and closed forms and their comparably small modification by electron-withdrawing substituents. This full characterization of a molecular switch operated in a molecular junction is an important step toward the development of real molecular electronics devices.

Permalink: https://www.hzdr.de/publications/Publ-20976


Simulation of gas-liquid flow in a helical static mixer

Zidouni, F.; Krepper, E.; Rzehak, R.; Rabha, S.; Schubert, M.; Hampel, U.

CFD simulations using the Euler-Euler approach are performed to model the gas-liquid bubbly flow in a helical static mixer. The model validation work was based on experiments, which are carried out in a column of diameter 0.08 m packed with helical static mixer elements (length 80 mm / diameter 80 mm). Measurements of gas volume fractions, gas velocities and bubble size distributions by in-house developed ultrafast X-ray electron beam tomography were taken at several planes within the mixer elements (Rabha et al. 2014).
The predicted axial and radial gas phase distribution considering different mono-disperse bubble sizes (3, 5.8 and 8 mm) are studied and validated against the experimental results. The dependency of non-drag forces on the bubble size was considered. Consequently, the bubble size dependent effects of the non-drag forces on the flow and on the cross sectional gas volume fraction distribution are shown.
Despite obvious shortcomings of the models for this application, some conclusions on the suitability of certain mixer designs for gas-liquid dispersion may be drawn already. The swirling flows created by the twist and turn of the helical mixer elements, which in turn pushes the lighter phase towards the center of the pipe is well predicted and validated. Further investigations have to consider the bubble size distribution e.g. by a population balance model to accurately predict the dispersion of the gas phase within and downstream the helical static mixer.

Keywords: helical static mixer; dispersion; gas-liquid multiphase flow; Euler-Euler two fluid model; CFD simulation

Permalink: https://www.hzdr.de/publications/Publ-20975


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