Grand canonical molecular dynamics simulations of Cu–Au nanoalloys in thermal equilibrium using reactive ANN potentials

出版年份 2015 全文链接

标题

作者

关键词

Density-functional theory, Grand canonical molecular dynamics, Monte-Carlo, Artificial neural network, Cu–Au alloy, Thermal equilibrium

出版物

Volume 110, Issue -, Pages 20-28

出版商

Elsevier BV

发表日期

2015-08-12

DOI

10.1016/j.commatsci.2015.07.046

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