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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Autores principales: | Xu Zhang, Hoang Nguyen, Jeffrey T. Paci, Subramanian K. R. S. Sankaranarayanan, Jose L. Mendoza-Cortes, Horacio D. Espinosa |
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Formato: | article |
Lenguaje: | EN |
Publicado: |
Nature Portfolio
2021
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Materias: | |
Acceso en línea: | https://doaj.org/article/66cdaba6ba7a4b70a40be14e87599a73 |
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