.png){kind=icon}
返回
Embedded atom method potentials for Al-Pd-Mn phases
.png){kind=icon}
OA
AI
DOI：10.1103/PhysRevB.85.054201.png)
.png){kind=icon}
.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
A novel embedded atom method (EAM) potential for the Xi phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are obtained if one allows for oscillations on two different length scales. These potentials stabilize structure models of the Xi phases and describe their energy with high accuracy. Simulations at temperatures up to 1200 K show very good agreement with ab initio results with respect to stability and dynamics of the system.
Keyword:
AB-INITIO DATA
QUASI-CRYSTAL
INTERATOMIC POTENTIALS
FCC METALS
MODELS
OPTIMIZATION
APPROXIMANT
LIQUID
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
3.7
论文数:
15.4W
被引数:
41.0W
机构
引用论文
A cobalt tungstate compound sensing electrode for hydrogen detection based upon mixed-potential type sensors.png)
RSC AdvancesOAAI
RSC AdvancesIF0
OAAI分享收藏分享收藏Numerical study on the sedimentation of single and multiple slippery particles in a Newtonian fluidOAAI
OAAI分享收藏
查看更多内容