Reliability of two Embedded Atom Models for the Description of Au-Ag Nanoalloys: Supporting Information
arxiv(2019)
摘要
The validation of embedded atom models (EAM) for modelling nanoalloys requires to verify both a faithful description of the individual phases and a convincing scheme for the mixed interactions. In this work, we present a systematic benchmarking of two widely adopted EAM parameterizations, i.e. by Foiles [S. M. Foiles et al. Phys. Rev. B 33, 7983 (1986)] and by Zhou [X. W. Zhou et al. Phys. Rev. B, 69, 144113 (2004)] with density functional theory calculations for the description of processes at Ag@Au nanoalloys surfaces and nanoclusters.
更多查看译文
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要