Influence of Atomic Defect on the Deformation Properties of Nanowires Subjected to Uniaxial Tension
(0) Atomic defects play an important role in the brittle deformation of nanowires at low temperatures.With molecular dynamics simulations, we study the influence of vacancy defects on the deformation and breaking behaviors of 100 oriented single-crystal gold nanowires at 50 and 150 K.The size of the nanowire is 10a × 10a × 30a (a stands for lattice constant, 0.408 nm for gold).It is shown that good crystalline structure appears in the whole deformation process, and it is in a brittle way at low temperature.The nanowire breaking behavior is sensitive to atomic vacancies when the atomic vacancy ratio is 1% in single-layer crystalline plane.Within the limitation of vacancy-induced breaking of the nanowire, the mechanical strengths increase under atomic vacancies.However, it decreases with the defect ratio increasing.
Vacancy defects Gold nanowires The most probable breaking position Molecular dynamics simulations
Fen-ying Wang Wei Sun Yan-feng Dai Yi-wang Chen Jian-wei Zhao Xiao Lin
Education Center for Basic Chemistry Experiments, Department of Chemistry, School of Science School State Key Laboratory of Analytical Chemistry for Life Science, School of Chemistry and Chemical Engi
国际会议
The Eighth China National Conference on Functional Materials and Applications(第八届中国功能材料及其应用学术会议)
哈尔滨
英文
139-146
2013-08-23（万方平台首次上网日期，不代表论文的发表时间）