MM 6: Computational Materials Modelling: Defects / Alloys
Monday, September 5, 2022, 15:45–18:30, H44
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15:45 |
MM 6.1 |
The contribution has been withdrawn.
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16:00 |
MM 6.2 |
Macroscopic characteristics of plastic deformation described through dislocation mobility properties — •Sergei Starikov, Antoine Kraych, and Matous Mrovec
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16:15 |
MM 6.3 |
Analytic description of grain boundary segregation, tension, and formation energy in the copper–nickel system — Tamara Krauß, Felix Fischer, and •Sebastian Eich
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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
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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
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17:00 |
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15 min. break
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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
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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
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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
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18:00 |
MM 6.9 |
Ab initio study on the phase stabilities of multi-component carbides in high-Mn steels — Lekshmi Sreekala, Jörg Neugebauer, and •Tilmann Hickel
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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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