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MM: Fachverband Metall- und Materialphysik

MM 10: Poster Session 1

Monday, September 5, 2022, 18:00–20:00, P2

18:00 MM 10.1 Training Gaussian Approximation Potentials for Aqueous Systems — •Nikhil Bapat, Martin Vondrák, Johannes T. Margraf, Hendrik H. Heenen, and Karsten Reuter
18:00 MM 10.2 Transfer learning on organic/inorganic interfaces for different substrates — •Elias Fösleitner, Johannes Cartus, Lukas Hörmann, and Oliver T. Hofmann
18:00 MM 10.3 Large-scale molecular dynamics simulations using fourth generation neural network potentials — •Emir Kocer, Andreas Singraber, Tsz Wai Ko, Jonas Finkler, Philipp Misof, Christoph Dellago, and Jörg Behler
18:00 MM 10.4 Interatomic Potential Fitting in pyiron — •Marvin Poul, Niklas Leimeroth, Alexander Knoll, Marius Herbold, and Joerg Neugebauer
18:00 MM 10.5 Effect of temperature pre-treatments on atomic dynamics in PdNiP studied with ECM — •Olivia Vaerst, Martin Peterlechner, and Gerhard Wilde
18:00 MM 10.6 Investigating the short-range order of amorphous GeTe upon structural relaxation obtained by TEM diffractometry and RMC methods — •Christian Stenz, Julian Pries, T. Wesley Surta, Michael W. Gaultois, and Matthias Wuttig
18:00 MM 10.7 Influence of swift heavy ion irradiation on Pd-based metallic glasses — •Saba Khademorezaian, Maximillian Demming, Marilena Tomut, Sergiy Divinski, and Gerhard Wilde
18:00 MM 10.8 Investigations on the relaxation of metallic glasses using fast scanning calorimetry — •Maximilian Demming, Mark Stringe, Martin Peterlechner, and Gerhard Wilde
  18:00 MM 10.9 The contribution has been withdrawn.
18:00 MM 10.10 Atom probe tomography study of diffusion in Al-TiB2 and Al3Ta-TiB2 systems — •Evgeniia Volobueva, Patrick Stender, Jiehua Li, and Guido Schmitz
18:00 MM 10.11 Reducing the Reduction Temperature of Graphene Oxide with a Copper Metal Catalyst — •Leonhard Niemann, Martin Köhne, André Hermannsdorfer, and Christoph Tegenkamp
18:00 MM 10.12 Flatbands and Nonlinear Transport in Nodal Line Semimetals — •Thomas Bömerich, Jinhong Park, and Achim Rosch
18:00 MM 10.13 Towards an efficient formalism to calculate Electron-Phonon-coupling Self Energies and Transport properties from MD Simulation — •Markus Kremer, Michael Czerner, and Christian Heiliger
18:00 MM 10.14 Determination of interdiffusion coefficients for Pt-Pd binary system by Atom Probe Tomography and DFT calculations — •Yoonhee Lee, Xi Zhang, Sebastian Manuel Eich, Patrick Stender, Blazej Grabowski, and Guido Schmitz
18:00 MM 10.15 Imbibition- and Drying-Induced deformation of Nanoporous Solids — •Juan Sanchez, Patrick Huber, Howard Stone, Lars Dammann, and Zhuoquing Li
18:00 MM 10.16 The Interplay of Spreading, Imbibition and Evaporation of Droplets at Nanoporous Surfaces — •Laura Gallardo, Juan Sánchez, Olivier Vincent, and Patrick Huber
18:00 MM 10.17 Kinetic trapping in brittle crack opening — •Tobias Müller and Bernd Meyer
18:00 MM 10.18 Comparison of Crack - Dislocation Interactions in fcc and bcc Metals — •Benedikt Eggle-Sievers and Erik Bitzek
18:00 MM 10.19 Molecular dynamics analysis of point defects in ferroelectrics — •Takahiro Tsuzuki, Dilshod Durdiev, Frank Wendler, Ryo Kobayashi, Masayuki Uranagase, Hikaru Azuma, and Shuji Ogata
18:00 MM 10.20 Effect of increasing Mn content on generalized planar fault energies of Ni-Mn-Ga alloys — •Martin Heczko, Petr Šesták, and Martin Zelený
18:00 MM 10.21 Influence of Twin Boundaries on the Mechanical Behavior of Nanowires Subjected to Bending — •Saba Khadivianazar, Jonas Schickel, and Erik Bitzek
18:00 MM 10.22 Benchmarking a Machine-Learning Enhanced Dimer Method for Transition State Search — •Nils Gönnheimer, King Chun Lai, Karsten Reuter, and Johannes T. Margraf
18:00 MM 10.23 Al-Ge solid solubility prediction using machine-learned forcefield potentials and phonon calculations — •Ondřej Fikar and Martin Zelený
18:00 MM 10.24 Simulation of long-term diffusion-based processes in Al and Ni — •Daria Smirnova and Erik Bitzek
18:00 MM 10.25 Ab initio study on novel precipitate-matrix interfaces in Al-Sc based alloys — •Ujjal Saikia, Tilmann Hickel, Sankaran Shanmugam, Sergiy V. Divinski, and Gerhard Wilde
18:00 MM 10.26 Ab initio study of point defects in disordered systems — •Pavel Papez, Martin Friák, and Martin Zelený
18:00 MM 10.27 Charge distribution and electronic structure of ZIF-8 and its derivatives from first principles — •Joshua Edzards, Holger-Dietrich Saßnick, Ana Maria Valencia und Caterina Cocchi
18:00 MM 10.28 Recent progress in ICETJ. Magnus Rahm, •Erik Fransson, Pernilla Ekborg-Tanner, Joakim Brorsson, Mattias Ångqvist, and Paul Erhart
18:00 MM 10.29 Molecular dynamics simulations of porous silica networks — •Hemangi Patel, Barbara Milow, and Ameya Rege
18:00 MM 10.30 Magnetotransport properties of coupled nanowire arrays in LAO/STO — •Ranjani Ramachandran, Dengyu Yang, Muqing Yu, Aditi Nethwewala, Patrick Irvin, Jeremy Levy, and Ki-Tae Eom
18:00 MM 10.31 Investigation of fatigue-generated vacancies in thin metal films using nanoindenter creep tests — •My Nguyen, Thomas Brede, Jan Verhoeven, and Cynthia A. Volkert
18:00 MM 10.32 Electrophysical properties of titanium-thermo-expanded graphite composites which can used in low-temperature thermionic converters — •Iryna Galstian, Halyna Mykhailova, Mykola Yakymchuk, Oleksij Tereshchenko, Mykhaylo Rud, Yevgen Tsapko, Olexandr Gerasimov, and Evgen Len
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