物理化学学报2017，Vol.33Issue(9)：1773-1780,8.DOI:10.3866/PKU.WHXB201705087
孔洞和孪晶界对银纳米线形变行为联合影响的分子动力学模拟
Combined Effects of the Hole and Twin Boundary on the Deformation of Ag Nanowires: a Molecular Dynamics Simulation Study
摘要
Abstract
Based on molecular dynamics simulations,the plastic deformation of silver nanowires under uniaxial tension has been studied systematically.In this paper,the mechanical properties of [111]-oriented twin nanowires with different hole sizes have been studied.The existence of holes has no effect on the elastic deformation stage.The hole on the twin boundary has two main roles in the plastic deformation stage.During the initial stages of plastic deformation,the main function of the hole is to produce new dislocations as dislocation sources at small hole sizes.Upon increasing the hole size,the main effect changes to stop dislocation slip.During the late stages of plastic deformation,the two functions of the hole complement each other,upon increasing the hole size,the function of the hole as dislocation sources becomes obvious,leading to weakening of the plasticity of the nanowires.关键词
孔洞缺陷/孪晶界/拉伸/银纳米线/分子动力学Key words
Hole defect/Twin boundary/Tension/Silver nanowire/Molecular dynamics分类
化学化工引用本文复制引用
汪秀秀,赵健伟,余刚..孔洞和孪晶界对银纳米线形变行为联合影响的分子动力学模拟[J].物理化学学报,2017,33(9):1773-1780,8.基金项目
The project was supported by the National Natural Science Foundation of China (51271074).国家自然科学基金(51271074)资助 （51271074）
