МОЛЕКУЛЯРНАЯ ДИНАМИКА ВЫСОКОЭНТРОПИЙНЫХ СПЛАВОВ С ИСПОЛЬЗОВАНИЕМ ИСКУССТВЕННЫХ НЕЙРОННЫХ СЕТЕЙ

Abstract

Atomistic simulation of multi-component melt using high-dimensional neural network potential was performed using classical molecular dynamics. Ab initio and neural network simulations were compared. Parameters of solidification of the multi-component melt into high-entropy alloy were computed.