A simplified methodology for the modeling of interfaces of elementary metals
Automated generation of reasonable atomic-level interface models, for example, at a grain boundary, is generally computationally intensive partly because of the three degrees of freedom in a rigid-body translation (RBT) of one side of the interface against the other. We propose an algorithm to obtai...
Guardado en:
Autores principales: | Yoyo Hinuma, Ichigaku Takigawa, Masanori Kohyama, Shingo Tanaka |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
AIP Publishing LLC
2021
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Materias: | |
Acceso en línea: | https://doaj.org/article/fe2f75aac10e4d938ddf403c4546eb2e |
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