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...
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| Main Authors: | , , , |
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| Format: | article |
| Language: | EN |
| Published: |
AIP Publishing LLC
2021
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| Subjects: | |
| Online Access: | https://doaj.org/article/fe2f75aac10e4d938ddf403c4546eb2e |
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