期刊
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
卷 17, 期 7, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0965-0393/17/7/075008
关键词
-
资金
- DOE/SciDAC
- NSF/CMMI Nano Bio Materials Program [CMS-0556032]
- Stanford Graduate Fellowship Program
The modified embedded-atom method interatomic potentials for pure gold and pure silicon are improved in their melting point and latent heat predictions, by modifying the multi-body screening function and the equation of state function. The fitting of the new parameters requires rapid calculations of melting point and latent heat, which are enabled by efficient free-energy methods. The results provide the basis for constructing a cross-potential that will be fitted to the binary gold-silicon phase diagram.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据