G. S. Demyanov

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

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 using a two-stage workf...