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Berlin 2018 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 47: Poster Session II

Wednesday, March 14, 2018, 18:30–19:45, Poster C

18:30 MM 47.1 The impact of magnetism on properties of defects in Fe-Co alloys — •Van Truong Tran and Chu Chun Fu
18:30 MM 47.2 Towards an ab initio phase diagram of Fe-Nb: Importance of Magnon-Phonon coupling — •Ali Zendegani, Fritz Körmann, Tilmann Hickel, and Jörg Neugebauer
18:30 MM 47.3 Metal-organic frameworks (MOFs): mechanical properties, electronic structure and molecular magnetism — •Sebastian Schwalbe, Kai Trepte, and Jens Kortus
18:30 MM 47.4 Anomalous Nernst effect in Ir22Mn78/Co20Fe60B20/MgO layers with perpendicular magnetic anisotropy — Sa Tu, •Junfeng Hu, Guoqiang Yu, Haiming Yu, Chuanpu Liu, Florian Heimbach, Xiangrong Wang, Jianyu Zhang, Youguang Zhang, Amir Hamzic, Kang L. Wang, Weisheng Zhao, and Jean-Philippe Ansermet
18:30 MM 47.5 Magnetic short range order in Fe1-xCrx alloys — Isabelle Mirebeau, •Veronique Pierron-Bohnes, and Georges Parette
18:30 MM 47.6 3D Discrete Dislocation Dynamics simulations of crack-tip plasticity — •Elena Jover Carrasco and Marc C. Fivel
18:30 MM 47.7 Nucleation in Ni-Al alloys: An atomistic study — •Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, and Ralf Drautz
18:30 MM 47.8 Transition Path Sampling of Seeded Nucleation during Solidification in Nickel — •Sarath Menon, Grisell Diaz Leines, Jutta Rogal, and Ralf Drautz
18:30 MM 47.9 First-principles design of biocompatible Ti-xNb (0 < x< 35) alloys — •Julio Gutierrez Moreno, Dimitris Papageorgiou, Giorgios Evangelakis, and Christina Lekka
18:30 MM 47.10 Control of (in)coherent dynamics in phononic superlattices — •Dennis Meyer, Daniel Metternich, Roland Potthast, and Henning Ulrichs
18:30 MM 47.11 Structure and energetics of Y-Ti-O nanoclusters in bcc Fe — •Muthu Vallinayagam, Matthias Posselt, and Jürgen Faßbender
18:30 MM 47.12 Structure and energetics of Y-Ti-O nanoclusters in bcc Fe — •Muthu Vallinayagam, Matthias Posselt, and Jürgen Faßbender
18:30 MM 47.13 Diffusion of oxygen in bcc Fe under the influence of other foreign atoms — •Xiaoshuang Wang, Matthias Posselt, and Jürgen Faßbender
18:30 MM 47.14 Temperature dependence of interface energies in WC Co cemented carbides — •Erik Fransson, Martin Gren, and Göran Wahnström
18:30 MM 47.15 Test and analysis of nonlocal van der Waals density functionals for solids — •Leila Kalantari, Fabien Tran, and Peter Blaha
18:30 MM 47.16 Molecular Dynamics Simulations of Laser Ablation in Covalent Materials — •Dominic Klein, Alexander Kiselev, and Johannes Roth
18:30 MM 47.17 The AiiDA-FLEUR package and how you can predict XPS spectra with it — •Jens Bröder, Nicola Helfer, Gregor Michalicek, Daniel Wortmann, Rudi Koslowski, Christian Linsmeier, and Stefan Blügel
18:30 MM 47.18 pyiron - an integrated framework for developing, running, and analyzing complex simulation protocols in computational materials science — •Jan Janssen, Sudarsan Surendralal, Yury Lysogorskiy, Tilmann Hickel, Ralf Drautz, and Jörg Neugebauer
18:30 MM 47.19 Ab initio electronic structure calculation of Cn element — •Hana Čenčariková and Dominik Legut
18:30 MM 47.20 The nonlinear quantum Hall effect in BiTeI — •Jorge Facio, Inti Sodemann, Jhih-Shih You, Klaus Koepernik, Dmitri Efremov, and Jeroen van den Brink
18:30 MM 47.21 Ab-initio investigation of the elastic behavior of the ternary compounds CxSiyGe1−x−y in the cubic phase — •Tim Klose, Pasquale Pavone, and Claudia Draxl
18:30 MM 47.22 Phase equilibria, first-principle calculations, and thermodynamic modeling of Zn-Ti system — •Songmao Liang, Harish K. Singh, Chen Shen, Hongbin Zhang, and Rainer Schmid-Fetzer
18:30 MM 47.23 Cluster expansions with CELL: applications to simple and complex alloys — •Maria Troppenz, Santiago Rigamonti, Martin Kuban, and Claudia Draxl
18:30 MM 47.24 The FLAPW code FLEUR: scaling and performance improvements on the route towards the exascale — •Daniel Wortmann, Uliana Alekseeva, Gregor Michalicek, and Stefan Blügel
18:30 MM 47.25 Using machine learning for efficient extraction of higher order force constants in solids. — •Fredrik Eriksson, Erik Fransson, and Paul Erhart
18:30 MM 47.26 Uncertainty quantification strategies for atomistic simulations with classical effective potentials — •Peter Brommer and Sarah Longbottom
18:30 MM 47.27 Reduction of Redundant Quantum Mechanical Computations Using Machine Learning Methods for Nanocatalysts — •Eiaki Morooka, Adam Foster, and Marc Jäger
18:30 MM 47.28 Mechanical properties of the high-entropy alloy Au-Cu-Ni-Pd-Pt — •Felix Thiel, Jens Freudenberger, and Kornelius Nielsch
18:30 MM 47.29 Template-Assisted Fabrications of Nanostructure-Array-Based Gas-Sensors — •Shipu Xu, Huaping Zhao, Yang Xu, Rui Xu, Huanming Zhang, and Long Liu
18:30 MM 47.30 Formation of porous nickel nanosystems under near-equilibrium condensation conditions using alumina membranes as a template for deposition — •Anna Kornyushchenko, Vyacheslav Perekrestov, Stefan Ostendorp, and Gerhard Wilde
18:30 MM 47.31 Optical properties of ALD deposited ZnO as a functional sensing layer based on self-assembled mesoporous membranes — •Katharina Spangenberg, Stefan Ostendorp, Martin Peterlechner, and Gerhard Wilde
18:30 MM 47.32 Anodic Aluminum Oxide AAO as a template for the synthesis of ZnO nanostructures via Atomic Layer Deposition — •Hanaa Seso, Stefan Ostendorp, Martin Peterlechner, and Gerhard Wilde.
18:30 MM 47.33 Development of an in situ photo-electric TEM holder with time correlation between photo-electrical data and imaging. — •Jonas Lindner, Vladimir Roddatis, Emanuel Ronge, Stefanie Mildner, Patrick Peretzki, Christian Jooss, and Michael Seibt
18:30 MM 47.34 A new instrument for cryo atom probe tomography — •Jonas Ott, Patrick Stender, and Guido Schmitz
18:30 MM 47.35 Description of 3D polycrystalline microstructures using a tessellation model generated by ellipsoids — •Mingyan Wang, Lukas Petrich, Daniel Westhoff, Volker Schmidt, and Carl E. Krill III
18:30 MM 47.36 Grain boundary thermodynamics in the iron–chromium system — Helena Solodenko, Marvin Poul, •Sebastian Eich, and Guido Schmitz
18:30 MM 47.37 Quantitative High-resolution and Analytical TEM Investigations of Perovskite Interfaces — •Tobias Meyer, Patrick Peretzki, Birte Kressdorf, Christian Jooß, and Michael Seibt
18:30 MM 47.38 Reducing the dimensionality in iron-based superconductors: quasi-one dimensional iron chalcogenide BaFe2S3 — •María Lourdes Amigó, Malin Lüdicke, Anja Wolter-Giraud, Christian Hess, Saicharan Aswartham, Silvia Seiro, and Bernd Büchner
  18:30 MM 47.39 The contribution has been withdrawn (duplicate of MM 47.38).
18:30 MM 47.40 In situ experiment for selective laser melting — •Jan Rosigkeit, Peter Staron, Florian Pyczak, and Martin Müller
18:30 MM 47.41 XAFS on Al-alloys: an investigation of early clustering and precipitation states — •Frank Lotter, Danny Petschke, Elischa Bläss, and Torsten Staab
18:30 MM 47.42 Ultra-precision surface figuring of aluminium mirror devices — •Jens Bauer, Melanie Ulitschka, Frank Frost, and Thomas Arnold
18:30 MM 47.43 Characterization of manganite-based building-blocks for thermal circuitry via transient thermoreflectometry — •Roland Potthast, Dennis Meyer, Alexandr Belenchuk, and Henning Ulrichs
18:30 MM 47.44 Surface Characterization of CuCrZr-Electrodes for Resistance Spot Welding — •Philipp Moritz, Oliver Höfft, Hagen Kerl, Volker Wesling, and Wolfgang Maus-Friedrichs
18:30 MM 47.45 Terahertz Spectroscopy of thin metallic films — •Natalie Kattner, Nathan Jukam, and Andreas Wieck
18:30 MM 47.46 New simulation method of segmented ring detector images in scanning transmission electron microscopy (STEM) analyzing medium-range order — •Sven Hilke, Jan Kirschbaum, Vitalij Hieronymus-Schmidt, Manuel Radek, Hartmut Bracht, Gerhard Wilde, and Martin Peterlechner
18:30 MM 47.47 Temperaturefield-analysis of the vacuum chamber of the Planetary Emissivity Laboratory — •Maximilian Grove, Jörn Helbert, and Alessandro Maturilli
18:30 MM 47.48 In situ Raman Spectroscopy on Paper Fibres during Tensile Testing and during Hydration — •Alena Bell, Sonja Wendenburg, Markus Biesalski, and Robert Stark
18:30 MM 47.49 Sulfation kinetics of alkali chlorides and subsequent chlorine induced corrosion in waste-to-energy plants — •Sebastian Pentz, Daniel Ott, Ferdinand Haider, and Ragnar Warnecke
18:30 MM 47.50 Material Physics in Forensic Science "Recovery of Erased Markings" — Jens Balzer, Bert Weimar, and •Horst Katterwe
18:30 MM 47.51 Compressed-sensing-based feature selection strategies in materials science: Defining the "best model" — •Benedikt Hoock, Santiago Rigamonti, Luca Ghiringhelli, Matthias Scheffler, and Claudia Draxl
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