Properties of exponential many-body interatomic potentials

被引：0
|
作者：
Ostapovets, A. [1 ]
Paidar, V. [1 ]
机构：
[1] Inst Phys AS CR, Vvi, Prague 18221 8, Czech Republic
来源：
KOVOVE MATERIALY-METALLIC MATERIALS | 2009年 / 47卷 / 03期
关键词：
many-body potentials; elastic constants; multilayer surface relaxations; ENERGY-ELECTRON-DIFFRACTION; EMBEDDED-ATOM-METHOD; MULTILAYER RELAXATION; FCC METALS; SURFACE RELAXATION; QUANTITATIVE-ANALYSIS; ELASTIC-CONSTANTS; TRANSITION-METALS; LEED; AU;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A set of exponential many-body potentials of Finnis-Sinclair type was chosen to be tested for application to atomistic simulations of extended crystal defects. The selected potentials lead to stability of different lattices, fcc, hcp or bcc. The aim of this work is to test behaviour of the models based on such potentials in the cases when phase transformations can occur. In particular, the elastic constants and free surface relaxations in fcc, hcp and bcc crystals were calculated.
引用
收藏
页码：193 / 199
页数：7
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