23 citations · 24 across the 3 of their papers we have counts for
4 papers · 1 filter
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…
Extraction of different electronic contributions to transport properties of transition metals from first principles
I. S. Galtsov, D. V. Minakov, P. R. Levashov
Accurate transport properties calculations in transition metals require treating inter-orbital hybridization, which is often poorly captured by simplified single-band models. We pr…
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…
Effect of the spin-orbit interaction on thermodynamic properties of liquid uranium
D. V. Minakov, M. A. Paramonov, P. R. Levashov
We present the first quantum molecular dynamics calculation of zero-pressure isobar of solid and liquid uranium that account for spin-orbit coupling. We demonstrate that inclusion…