Multi-objective parametrization of interatomic potentials for large deformation pathways and fracture of two-dimensional materials
Abstract This investigation presents a generally applicable framework for parameterizing interatomic potentials to accurately capture large deformation pathways. It incorporates a multi-objective genetic algorithm, training and screening property sets, and correlation and principal component analyse...
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| Main Authors: | , , , , , |
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| Format: | article |
| Language: | EN |
| Published: |
Nature Portfolio
2021
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| Subjects: | |
| Online Access: | https://doaj.org/article/66cdaba6ba7a4b70a40be14e87599a73 |
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