| Autor: |
Carolina Baruffi, Alphonse Finel, Yann Le Bouar, Brigitte Bacroix, Oguz Umut Salman |
| Jazyk: |
angličtina |
| Rok vydání: |
2019 |
| Předmět: |
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| Zdroj: |
Materials Theory, Vol 3, Iss 1, Pp 1-26 (2019) |
| Druh dokumentu: |
article |
| ISSN: |
2509-8012 |
| DOI: |
10.1186/s41313-019-0016-1 |
| Popis: |
Abstract Macroscopic properties of structural materials are strongly dependent on their microstructure. However, the modeling of their evolution is a complex task because of the mechanisms involved such as plasticity, recrystallization, and phase transformations, which are common processes taking place in metallic alloys. This complexity led to a growing interest in atomistic simulations formulated without any auxiliary hypotheses beyond the choice of interatomic potential. In this context, we propose here a model based on an overdamped stochastic evolution of particles interacting through inter-atomic forces. The model settles to the correct thermal equilibrium distribution in canonical and grand-canonical ensembles and is used to study the grain boundary migration. Finally, a comparison of our results with those obtained by molecular dynamics shows that our approach reproduces the complex atomic-scale dynamics of grain boundary migration correctly. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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