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Mechanical properties of V-4Ti-4Cr alloy from molecular dynamics with a neural-network potential

Demyanov, G. S. et al.
arXiv (All) · Papers
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materials-science
Machine-learning interatomic potentials enable large-scale atomistic simulations of vanadium alloys relevant to fusion applications, but reliable training and validation remain challenging in multicomponent systems. Here, we develop a descriptor-based DeepMD-DPA1 potential for the V-Ti-Cr system usi
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