Machine-learned interatomic potentials for alloys and alloy phase diagrams
Abstract We introduce machine-learned potentials for Ag-Pd to describe the energy of alloy configurations over a wide range of compositions. We compare two different approaches. Moment tensor potentials (MTPs) are polynomial-like functions of interatomic distances and angles. The Gaussian approximat...
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| Autores principales: | , , , , , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
Nature Portfolio
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/47b2072bae1e4a3da976b0281a49afb1 |
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