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cond-mat.mtrl-sci2026
Mechanical properties of V-4Ti-4Cr alloy from molecular dynamics with a neural-network potential
G. S. Demyanov, D. V. Minakov, S. B. Saltykov +2
Machine-learning interatomic potentials enable large-scale atomistic simulations of vanadium alloys relevant to fusion applications, but reliable training and validation remain cha…
cond-mat.mtrl-sci2021★ 23 cited
Ab initio inspection of thermophysical experiments for zirconium near melting
M. A. Paramonov, D. V. Minakov, V. B. Fokin +3
We present quantum molecular dynamics calculations of thermophysical properties of solid and liquid zirconium in the vicinity of melting. An overview of available experimental data…