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...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2021-01-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-020-00477-2 |