SKM 2023 –
wissenschaftliches Programm
MM 25: Development of Computational Methods: Crystal Structure and Properties
Mittwoch, 29. März 2023, 10:15–11:30, SCH A 251
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10:15 |
MM 25.1 |
A hybrid multiscale phase-field crystal, amplitude phase-field crystal approach - elastic properties and numerical studies — •Maik Punke and Marco Salvalaglio
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10:30 |
MM 25.2 |
Corrosion evolution in Mg-based alloys: the role of precipitates studied by synchrotron X-ray nanotomography — •Tatiana Akhmetshina, Robin E. Schäublin, Andrea M. Rich, Nicholas W. Phillips, and Jörg F. Löffler
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10:45 |
MM 25.3 |
Amplitude expansion of the phase-field crystal model for complex crystal structures — •Marcello De Donno and Marco Salvalaglio
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11:00 |
MM 25.4 |
Efficient 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
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11:15 |
MM 25.5 |
Sampling-free determination of accurate free energies: A bond lattice mean-field model for central potentials — •Raynol Dsouza, Thomas Swinburne, Liam Huber, and Jörg Neugebauer
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