The Effect of Atomic Vacancies and Grain Boundaries on Mechanical Properties of GaN Nanowires  

作　　者：XIE Shi-Feng CHEN Shang-Da SOH Ai-Kah 谢世峰;陈尚达;苏爱嘉(Faculty of Materials,Optoelectronics and Physics,Xiangtan University,Hunan 411105;Department of Mechanical Engineering,The University of Hong Kong,Pokfulam Road,Hong Kong,China)

机构地区：[1]Faculty of Materials,Optoelectronics and Physics,Xiangtan University,Hunan 411105 [2]Department of Mechanical Engineering,The University of Hong Kong,Pokfulam Road,Hong Kong,China

出　　处：《Chinese Physics Letters》2011年第6期214-217,共4页中国物理快报（英文版）

基　　金：by the National Natural Science Foundation of China under Grant No 10702058;the China Postdoctoral Science Foundation under Grant No 20090451100.

摘　　要：Molecular dynamics simulations are carried out to investigate the influences of various defects on mechanical properties of wurtzite GaN nanowires by adopting the empirical Stillinger-Weber potential.Different types of vacancies and grain boundaries are considered and the uniaxial loading condition is implemented along the[001]direction.It is found that surface defects have less impact on Young's moduli and critical stresses of GaN nanowires compared with random defects.The grain boundary normal to the axial direction of a nanowire would not significantly affect Young's moduli of nanowires.However,the inversion domain grain boundaries with and without wrong bonds would significantly lower Young's moduli of GaN nanowires.In addition,the inversion domain grain boundary affects the critical stress of GaN nanowires more than the grain boundary with interface normal to the axial direction of the nanowire.

关 键 词：NANOWIRES GRAIN BOUNDARY 

分 类 号：TB3[一般工业技术—材料科学与工程]