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Regensburg 2022 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 6: Computational Materials Modelling: Defects / Alloys

Monday, September 5, 2022, 15:45–18:30, H44

  15:45 MM 6.1 The contribution has been withdrawn.
16:00 MM 6.2 Macroscopic characteristics of plastic deformation described through dislocation mobility properties — •Sergei Starikov, Antoine Kraych, and Matous Mrovec
16:15 MM 6.3 Analytic description of grain boundary segregation, tension, and formation energy in the copper–nickel systemTamara Krauß, Felix Fischer, and •Sebastian Eich
16:30 MM 6.4 Impurity segregation at grain boundaries in bcc iron: large scale models based on machine learned interatomic potentials — •Petr Šesták, Monika Všianská, Pavel Lejček, and Miroslav Černý
16:45 MM 6.5 An efficient method to access the grain boundary parameter space with atomistic simulations — •Timo Schmalofski, Martin Kroll, Rebecca Janisch, and Holger Dette
  17:00 15 min. break
17:15 MM 6.6 Electronic band gap of AlxSc1−xN: a comparison of CPA and SQS — •Jan M. Waack, Markus Kremer, Michael Czerner, and Christian Heiliger
17:30 MM 6.7 Using MD simulations to better understand and control self-propagating reactions in Al-Ni multilayers — •Fabian Schwarz and Ralph Spolenak
17:45 MM 6.8 strong impact of spin fluctuations on the antiphase boundary energies of weak ferromagnetic Ni3Al — •Xiang Xu, Xi Zhang, Andrei Ruban, Siegfried Schmauder, and Blazej Grabowski
18:00 MM 6.9 Ab initio study on the phase stabilities of multi-component carbides in high-Mn steelsLekshmi Sreekala, Jörg Neugebauer, and •Tilmann Hickel
18:15 MM 6.10 Atomistic simulation of diffusion in γ′-strengthened Co-based superalloys — •Lin Qin, Jutta Logal, Dorota Kubacka, and Ralf Dratz
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