Simulation of dislocation nucleation and motion in single crystal magnesium oxide by a field theory

被引：9
|
作者：
Xiong, Liming [1 ]
Chen, Youping [1 ]
Lee, James [2 ]
机构：
[1] Univ Florida, Dept Mech & Aerosp Engn, Gainesville, FL 32611 USA
[2] George Washington Univ, Dept Mech & Aerosp Engn, Washington, DC 20052 USA
来源：
COMPUTATIONAL MATERIALS SCIENCE | 2008年 / 42卷 / 01期
基金：
美国国家科学基金会;
关键词：
atomistic formulation; multiscale field theory; dislocation nucleation and motion;
D O I：
10.1016/j.commatsci.2007.06.018
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
This paper presents a multiscale field theory and its application in modeling and simulation of the phenomena that take place at atomic scale. Atomistic formulation of a multiscale field theory is introduced. The governing equations for problems with a given temperature are derived. We have modeled and simulated the nucleation and motion of dislocations and the formation of plastic deformation in a nanoscale ionic material MgO. The mechanism of deformation as well as the evolution of the stress has been elucidated. Results are compared with those from molecular dynamics simulations. (C) 2007 Elsevier B.V. All rights reserved.
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页码：168 / 177
页数：10
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