Dataset for "Mo-Si alloys studied by atomistic computer simulations using a novel machine-learning interatomic potential: Thermodynamics and interface phenomena"
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资源简介：
This dataset was used to fit a general purpose machine-learning interatomic potential for Mo-Si alloys based on the Atomic Cluster Expansion (ACE) formalism. It supports the paper "Mo-Si alloys studied by atomistic computer simulations using a novel machine-learning interatomic potential: Thermodynamics and interface phenomena".
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Zenodo创建时间：
2023-12-01
