MM 16: Methods in Computational Materials Modelling (methodological aspects, numerics)
Tuesday, April 2, 2019, 10:15–13:15, H45
Sessions: Nucleation; Interfaces
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10:15 |
MM 16.1 |
Atomistic mechanism of nucleation in Ni: the role of pre-structuring and seeding in polymorph selection — •Grisell Díaz Leines and Jutta Rogal
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10:30 |
MM 16.2 |
Transition path sampling of homogeneous nucleation during solidification in molybdenum — •Sarath Menon, Grisell Diaz Leines, Jutta Rogal, and Ralf Drautz
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10:45 |
MM 16.3 |
Hysteretic phase transitions of IrTe2: a unified picture from ab initio approaches — •Gabriele Saleh and Sergey Artyukhin
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11:00 |
MM 16.4 |
Atomistic Modelling of Early Stage Clusters In Al-Mg-Si alloys — •David Kleiven and Jaakko Akola
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11:15 |
MM 16.5 |
Atomistic Study of Nucleation and Growth in Ni3Al — •Yanyan Liang, Grisell Díaz Leines, Jutta Rogal, and Ralf Drautz
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11:30 |
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15 min. break
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11:45 |
MM 16.6 |
Machine learning and the thermodynamics of grain boundary segregation — •Liam Huber, Raheleh Hadian, Blazej Grabowski, and Joerg Neugebauer
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12:00 |
MM 16.7 |
Development of a layer-specific surface segregation model based on atomistic simulations beyond McLean — Tamara Krauß and •Sebastian Eich
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12:15 |
MM 16.8 |
Atomistic simulation of bulk and grain boundaries diffusion in iron — •Sergei Starikov, Matous Mrovec, and Ralf Drautz
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12:30 |
MM 16.9 |
Modelling of Magnetic Driving Force in Grain Boundary Migration: Using Multi-Phase Field Method — •Liu Huo, Raphael Schiedung, and Ingo Steinbach
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12:45 |
MM 16.10 |
Determining mobilities and anisotropic grain boundary energies from MD simulations of shrinking grains — •Adrian A. Schratt and Volker Mohles
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13:00 |
MM 16.11 |
Simulations of anisotropy effects of interface energies — •Volker Mohles and Adrian A. Schratt
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