A Generalized Peierls-Nabarro Model for Curved Dislocations Using Discrete Fourier Transform

作     者：He Wei Yang Xiang Pingbing Ming 

作者机构：School of Mathematical SciencesPeking UniversityBeijing 100871China. Department of MathematicsThe Hong Kong University of Science and TechnologyClear Water BayKowloonHong Kong. Institute of Computational Mathematics and Scientific/Engineering ComputingAcademy of Mathematics and System SciencesChinese Academy of SciencesNo.55 Zhong-Guan-Cun East RoadBeijing 100080China. 

出 版 物：《Communications in Computational Physics》 (计算物理通讯（英文）)

年 卷 期：2008年第4卷第7期

页      面：275-293页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：the Hong Kong Research Grants Council CERG 603706 the National Natural Science Foundation of China under the grant 10571172 the National Basic Research Program under the grant 2005CB321704 

主　　题：Dislocation Peierls-Nabarro model Peierls stress Peierls energy dislocation kink. 

摘      要：In this paper,we present a generalized Peierls-Nabarro model for curved dislocations using the discrete Fourier *** our model,the total energy is expressed in terms of the disregistry at the discrete lattice sites on the slip plane,and the elastic energy is obtained efficiently within the continuum framework using the discrete Fourier *** model directly incorporates into the total energy both the Peierls energy for the motion of straight dislocations and the second Peierls energy for kink *** discreteness in both the elastic energy and the misfit energy,the full long-range elastic interaction for curved dislocations,and the changes of core and kink profiles with respect to the location of the dislocation or the kink are all included in our *** model is presented for crystals with simple cubic *** results on the dislocation structure,Peierls energies and Peierls stresses of both straight and kinked dislocations are *** results qualitatively agree with those from experiments and atomistic simulations.