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Berlin 2012 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 17: Poster Session

Monday, March 26, 2012, 17:00–19:00, Poster B

17:00 MM 17.1 (contribution withdrawn, duplicate of O 34.1) Oxidation of monovacancies in graphene by oxygen moleculesThaneshwor Kaloni, Yingchun Cheng, and •Udo Schwingenschlogl
17:00 MM 17.2 Thermal stability and crystallization of magnetron sputtered amorphous Si2C — •René Gustus, Wolfgang Gruber, Lienhard Wegewitz, Harald Schmidt, and Wolfgang Maus-Friedrichs
17:00 MM 17.3 Atomistic study of the elastic properties of alpha' martensite crystals — •Nina Gunkelmann and Herbert M. Urbassek
17:00 MM 17.4 Measurement of nucleation rates using fast scanning calorimetry on samples prepared by the Droplet Emulsion Technique (DET) — •Christian Simon, Joachim Bokeloh, and Gerhard Wilde
17:00 MM 17.5 New deposition concept for the precise tailoring of nanocomposites with a gas aggregation cluster source — •Björn Gojdka, Vladimir Zaporojtchenko, Thomas Strunskus, Viktor Hrkac, Jian Xiong, Lorenz Kienle, and Franz Faupel
17:00 MM 17.6 Nonlinear response of metallic glasses at high applied stresses and nonlinear effects of damping behaviour below to above the glass transition temperature — •Antje Krüger, Moritz Schwabe, and Konrad Samwer
17:00 MM 17.7 Ab-Initio Hamiltonian and Hedin's Equations for Phonon-Induced Effective Electron-Electron Interaction — •Ronald Starke
17:00 MM 17.8 Diffusion and microhardness in ultrafine grained nickel — •Simon Trubel, Sergiy Divinski, Gerrit Reglitz, Jörn Leuthold, and Gerhard Wilde
17:00 MM 17.9 From structure refinements of ε-Al–Pd–Mn phases toward decagonal quasicrystals — •Benjamin Frigan, Marek Mihalkovič, and Hans-Rainer Trebin
17:00 MM 17.10 Investigation of stable intermediate states in fourfold nano-systems — •Andrea Ehrmann and Tomasz Blachowicz
17:00 MM 17.11 Design and Operation of a Nano-Calorimeter for high Sensitive and Fast heating rates measurements — •Mostafa Mohamed, Joachim Bokeloh, Tae-Eun Song, and Gerhard Wilde
17:00 MM 17.12 Direct Single Electron Imaging with a pnCCD for TEM — •Henning Ryll, Robert Hartmann, Robert Andritschke, Sebastian Ihle, Heike Soltau, and Lothar Strüder
17:00 MM 17.13 Investigation of strain fields along shear bands in a deformed Pd40Ni40P20 bulk metallic glass — •Severin Schlottbom, Jonas Bünz, Jörn Leuthold, Stefan Ostendorp, and Gerhard Wilde
17:00 MM 17.14 Generation of force field for molecular dynamic simulations of zirconia — •Andreas Irmler, Philipp Beck, Johannes Roth, and Hans-Rainer Trebin
17:00 MM 17.15 Order-disorder transformation in copper-gold alloys revisited by in situ X-ray diffraction — •Max Metelmann, Martin Peterlechner, Harald Rösner, and Gerhard Wilde
17:00 MM 17.16 Finite element based fatigue predictions for Thermal-Acoustical-Protective-Shields — •Martin Kollenrott and Othmar Marti
17:00 MM 17.17 Ab initio and kinetic Monte Carlo modelling of Fe-Cu-Ni-Mn alloys — •Stephen Hocker, Peter Binkele, Alejandro Mora, and Siegfried Schmauder
17:00 MM 17.18 Synthesis and electrochemical properties of tailored LiMPO4 (M= Mn, Co) — •Christoph Neef, Carsten Jähne, and Rüdiger Klingeler
17:00 MM 17.19 Phason flips in quasicrystals: Interpretation of HRTEM data using kinetic Monte Carlo simulations — •Hansjörg Lipp and Hans-Rainer Trebin
17:00 MM 17.20 Atomistic simulation of severe plastic deformation-induced "high-energy" state of grain boundaries — •Lisa Neier, Sergiy Divinsky, Anatha Padmanabhan, and Gerhard Wilde
17:00 MM 17.21 Towards kinetic Monte-Carlo simulations with ab initio accuracy — •Martin Leitner, Tobias C. Kerscher, Stefan Müller, and Raimund Podloucky
17:00 MM 17.22 Interactions in Fe-Pd — •Cédric Sax and Bernd Schönfeld
17:00 MM 17.23 Structure and thermal stability of severely plastically deformed Cu84Al16 — •Nazar Ibrahim, Martin Peterlechner, Sergiy Divinski, and Gerhard Wilde
17:00 MM 17.24 Tuning of the silver ion release from polymer-metal nanocomposites containing gold-silver alloy or gold-core/silver-shell nanoparticles — •Nisreen Alissawi, Irmak Kocabas, Vladimir Zaporojtchenko, Thomas Strunskus, and Franz Faupel
17:00 MM 17.25 Cooling rate dependence of undercooling of pure Sn single partially molten drop by fast scanning calorimetry — •Bin Yang, Alexander Sasha Abyzov, Evgeny Zhuravlev, Yulai Gao, Jürn W. P. Schmelzer, and Christoph Schick
17:00 MM 17.26 Texture gradient in ultrafine-grained Ti/Al composite wires produced by accumulative swaging and bundling — •Andy Eschke, Juliane Scharnweber, Carl-Georg Oertel, Tom Marr, Jan Romberg, Jens Freudenberger, Uta Kühn, Ludwig Schultz, Jürgen Eckert, and Werner Skrotzki
17:00 MM 17.27 Phase Field Simulations of Martensitic Transformation in Thin Films — •Alexander Auge, Niclas Teichert, and Andreas Hütten
17:00 MM 17.28 X-ray diffraction studies on low alloyed and high-Mn steels with TRansformation and TWinning Induced Plasticity (TRIP, TWIP) — •Andre Steffen, Hendrik Quade, Raphael Twardowski, Sascha Buthmann, Michael Paulus, Christian Sternemann, Ulrich Prahl, Wolfgang Bleck, and Metin Tolan
17:00 MM 17.29 Chemical diffusion in lithium titanate thin films — •Fabian Wunde, Frank Berkemeier, and Guido Schmitz
17:00 MM 17.30 Electrochemical tuning of the electrical resistance of nanoporous platinum produced by dealloying — •Eva-Maria Steyskal, Maximilian Besenhard, Thomas Traußnig, Jörg Weissmüller, Stephan Landgraf, and Roland Würschum
17:00 MM 17.31 Atom probe specimen preparation from nanoporous materials — •Björn Pfeiffer, Torben Erichsen, Eike Epler, and Carsten Nowak
17:00 MM 17.32 Structural aspects of hydride formation in Gd thin films — •Sara Wanjelik, Volkmar Hess, and Mathias Getzlaff
17:00 MM 17.33 Lithium Iron Phosphate as thin film cathode and in all solid-state batteries — •Mathias Köhler, Frank Berkemeier, and Guido Schmitz
17:00 MM 17.34 Investigation of freeze casting at the microscopic scale — •Marcel Huber, Frank Wendler, and Britta Nestler
17:00 MM 17.35 Silicon nanowires as anode electrodes for lithium ion batteries — •Gibaek Lee, Stefan L Schweizer, and Ralf B Wehrspohn
17:00 MM 17.36 Surface changes of defect-rich Palladium films under hydrogen atmosphere — •Marc Waninger and Astrid Pundt
17:00 MM 17.37 Atomistic Multi-Time-Scale Modelling of Cu-alloyed α-Fe — •David Molnar, Peter Binkele, Stephen Hocker, and Siegfried Schmauder
17:00 MM 17.38 An apparatus for the synthesis of cluster-based materials — •Arne Fischer, Herbert Gleiter, and Horst Hahn
17:00 MM 17.39 Coating Nanoporous Gold by pulsed electrodeposition — •Tobias Kitzler, Jürgen Markmann, and Jörg Weissmüller
17:00 MM 17.40 On the Interpretation of ELNES - Spectra in the Al1−xTixN-System — •Simon Lamowski, Torsten Weißbach, and Jens Kortus
17:00 MM 17.41 Simulation of diffusion processes in Ni and Al, due to the vacancy mechanism in metals on the basis of effective medium theory — •Sergiy Zamulko, Dmitriy Kropachev, and Ganna Kholmska
17:00 MM 17.42 Interaction of Ultrashort XUV pulses with Bulk Magnesium and Copper — •Naira Grigoryan, Fairoja Cheenicode Kabeer, Eeuwe S. Zijlstra, and Martin E. Garcia
17:00 MM 17.43 Study of viscoelastic properties of nanoporous gold using dynamic mechanical analysis — •Nadiia Mameka, Jürgen Markmann, and Jörg Weissmüller
17:00 MM 17.44 Hydrogen absorption behavior of nano-crystalline Mg thin films — •Helmut Takahiro Uchida, Reiner Kirchheim, and Astrid Pundt
17:00 MM 17.45 Combining ab initio with data mining techniques: Solution enthalpy of hydrogen in transition metals — •Ugur Aydin, Tilmann Hickel, and Jörg Neugebauer
17:00 MM 17.46 Study of field evaporation from metal tips by using a custom tunable laser-assisted field ion microscope (FIM) — •Armin Feist, Johannes Endres, Carsten Nowak, and Claus Ropers
17:00 MM 17.47 Band structure und electronic transport properties of cobalt decorated carbon nanotubesJan Sommer, •Andreas Zienert, and Jörg Schuster
17:00 MM 17.48 nanoscale solid-solid dissolution of crystalline/amorphours nanoparticles by electron beam irradiation — •Tao Feng, Di Wang, Ralf Witte, Robort Kruk, Horst Hahn, and Herbert Gleiter
17:00 MM 17.49 Compositional changes during phase separation of γ′ precipitates in a Ni-Al-Ti model alloy — •Florian Vogel, Nelia Wanderka, and John Banhart
17:00 MM 17.50 Heat capacity of aluminum nitride phases from ab initio calculations — •Steve Schmerler and Jens Kortus
17:00 MM 17.51 Influence of Quenching & Partitioning on martensite and austenite phase composition in steel — •Karin Rüster, Andre Steffen, Michael Paulus, Christian Sternemann, Metin Tolan, Niko Große-Heilmann, Christian Kronholz, and Andreas Peters
17:00 MM 17.52 Microstructure of InAs nano-crystals embedded in Si — •Mingjian Wu, Achim Trampert, Tariq Al-Zoubi, Muhammad Usman, Mohamed Benyoucef, and Johann Peter Reithmaier
17:00 MM 17.53 Is the epsilon-phase in deformed autenitic steel just an accumulation of stacking faults? — •Torsten Weißbach, Sebastian Schwalbe, Jürgen Kutzner, and Jens Kortus
17:00 MM 17.54 Gas diffusion electrode development using femtosecond-laser induced microstructured metal surfaces with hydrophobic featuresAndreas Gabler, Anna-Lena Baumann, Thomas Gimpel, Stefan Kontermann, Robert Hahn, and •Wolfgang Schade
17:00 MM 17.55 In-situ observation of structural changes accompanying lithium intercalation in silicon TEM lamellas — •Timo Wuttke, Burkhard Roos, Carsten Nowak, and Cynthia Volkert
17:00 MM 17.56 Lithium ion dynamics in channel-structured Li2Ti6O13 — •Kai Volgmann and Paul Heitjans
17:00 MM 17.57 Molecular Dynamics Simulation of Aluminum Oxidation via Reactive Force Field — •Manana Koberidze and Risto Nieminen
17:00 MM 17.58 An approach for quantitative assessment of shear induced mixing in mechanical alloying — •Mohsen Pouryazdan, Di Wang, Torsten Scherer, Robert Averback, and Horst Hahn
17:00 MM 17.59 Origin of high Neel temperatures in Tc perovskitesJernej Mravlje, Markus Aichhorn, and •Antoine Georges
17:00 MM 17.60 Hybrid material design with DFT: Silane coupling agent on TiO2(011) — •Wolfgang Heckel, Beatrix Elsner, and Stefan Müller
17:00 MM 17.61 Simulation of structural phase transitions and shape memory behavior in NiTi nanosystems — •Daniel Mutter and Peter Nielaba
17:00 MM 17.62 Modeling the crystal growth phenomena on atomistic scale in single crystals and binary alloys — •Muhammad Ajmal Choudhary, Martin Oettel, and Heike Emmerich
17:00 MM 17.63 Simple Synthesis of Metal and Metal Oxide Nanowires for Device Application — •Pervin Sahin, Necdet Onur Urs, Dawit Gedamu, Torge Behrendt, and Rainer Adelung
17:00 MM 17.64 Exploring GPUs for Mesoscale Simulations — •Alexander Monas, Claas Hüter, and Robert Spatschek
17:00 MM 17.65 Hydrogenation of Magnesium Titanium Multi- Layers — •Jara Kürschner, Helmut Uchida, and Astrid Pundt
17:00 MM 17.66 Interfaces in Fe/MgO/Fe sandwich structures — •Torben Boll, Talaat Al-Kassab, Catharina Wille, and Ryota Gemma
17:00 MM 17.67 Analysis of the nitrogen content of carbide particles in a gamma'-strengthened Ni-based superalloy — •Martin Peterlechner, Harald Rösner, and Eckhard Nembach
17:00 MM 17.68 Simulation of the elastic properties of nanomechanical resonators — •Kristian Scholz, Daniel Mutter, Bartholomäus Strobel, Martin Vögele, and Peter Nielaba
17:00 MM 17.69 Hydrogenation behavior of thin epitaxial Nb films: Film preparation and hydrogen gas loading — •Vladimir Burlaka, Stefan Wagner, Anthony Bell, and Astrid Pundt
17:00 MM 17.70 Atomic scale simulations of elastic properties of Al2O3–C refractories — •Yuriy Natanzon and Heike Emmerich
17:00 MM 17.71 Comparison of MOKE- and SQUID-detected magnetization of FePt-layers on MgO-substrates — •Peter Jerabek, Thomas Bublat, Dagmar Goll, Stefan Topolovec, Roland Würschum, and Heinz Krenn
17:00 MM 17.72 Ehrenfest molecular dynamics within the projector augmented-wave method — •Ari Ojanperä, Ville Havu, Lauri Lehtovaara, Arkady Krasheninnikov, and Martti Puska
17:00 MM 17.73 Real structure characterization of shockwave-synthesized γ-Si3(O,N)4 — •Anke Köhler, Christian Schimpf, Thomas Schlothauer, Volker Klemm, Marcus Schwarz, Gerhard Heide, David Rafaja, and Edwin Kroke
17:00 MM 17.74 Characterization Strategies for Material Processing with Structured fs-Laser Pulses — •Conrad Schuster, Anna Svanidze, Neeke Rothe, Steffen Fiedler, Robert Irsig, Anna Oniszczuk, Josef Tiggesbäumker, Karl-Heinz Meiwes-Broer, and Stefan Lochbrunner
17:00 MM 17.75 NanoSculpt: a tool for generating arbitrarily shaped structures for atomistic simulations — •Martin Hummel, Siegfried Schmauder, and Erik Bitzek
17:00 MM 17.76 Accelerating DFT and TDDFT Electronic Structure Calculations Using Graphics Processing Units — •Samuli Hakala, Ville Havu, Jussi Enkovaara, Martti Puska, and Risto Nieminen
17:00 MM 17.77 Enhanced Ferromagnetism in Nanometallic Glass studied by Mössbauer spectroscopy — •Ralf Witte, Tao Feng, Mohammad Ghafari, Robert Kruk, Richard Brand, Herbert Gleiter, and Horst Hahn
17:00 MM 17.78 Kinetic processes in copper bi- and tricrystals — •Isabelle Binkowski, Henning Edelhoff, Jörn Leuthold, Matthias Wegner, Martin Peterlechner, Shashank Shekhar, Alexander King, Sergiy Divinski, and Gerhard Wilde
17:00 MM 17.79 Reactive Diffusion and Stress in Core-Shell NanostructuresZoltan Erdelyi, Christian Buchholz, and •Guido Schmitz
17:00 MM 17.80 Study of the EFGs at both M- and A-sites in Zr2InC and Hf2InC using γ-γ angular correlation spectroscopy — •Daniel Jürgens, Michael Uhrmacher, Ulrich Vetter, Hans Hofsäss, Jose Mestnik-Filho, and Michel W. Barsoum
17:00 MM 17.81 The effect of the stacking sequence on the EFG in the MAX phase systems Ti-Al-X (X = C, N) — •Daniel Jürgens, Michael Uhrmacher, Ulrich Vetter, Hans Hofsäss, Jose Mestnik-Filho, and Michel W. Barsoum
17:00 MM 17.82 2D quench calculations for FAIR Super-FRS dipole — •Piotr Szwangruber, Eric Floch, Thomas Weiland, and Oliver Boine-Frankenheim
17:00 MM 17.83 Electron and spin transport in turbostratic grapheneSebastian Schweitzer, Ajit Kumar Patra, Yenny Hernandez, Jakoba Heidler, Xinliang Feng, Klaus Müllen, Petr Ostrizek, and •Mathias Kläui
17:00 MM 17.84 Ab initio-based mean field theory of site occupation in binary sigma phases — •Evgeniya Kabliman, Andrei V. Ruban, Oleg E. Peil, Peter Blaha, Karlheinz Schwarz, and Börje Johansson
17:00 MM 17.85 Ab-initio calculations of mechanical properties of TaxMo1-xN — •Khellil Bouamama
17:00 MM 17.86 On the conductivity and chemical stability of lithium conducting glass ceramics (LICGC): Application in next generation batteries? — •Pascal Hartmann, Marisa Reich, Thomas Leichtweiss, Meike Schneider, Wolfgang Schmidbauer, and Jürgen Janek
17:00 MM 17.87 A new 2D-ACAR spectrometer at the NEPOMUC positron facility — •Hubert Ceeh, Josef Weber, Christoph Hugenschmidt, Michael Leitner, and Peter Böni
17:00 MM 17.88 The effect of grain size and grain boundaries on the mechanical behaviour of MAX phases — •Thilo Seliger, Cynthia Volkert, Christoph Brüsewitz, Hans Hofsäss, and Michael Uhrmacher
17:00 MM 17.89 Advanced EBSD/EDS integration for efficient and modern materials characterizationDaniel Goran, Laurie Palasse, and •Thomas Schwager
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