MoleculaMolecular Dynamics Simulation on the Tensile Behavior of Gold Nanowires with Diameters between 3 and 6 nm

摘要：

　　Based on the EAM potential,this article presents a molecular dynamics study of gold nanowires with three diameter sizes at strain rate of 1.4×109 s-1 applied in uniaxial direction.The mechanical properties including the Young’s modulus,yielding stresses and yielding strains are computed and compared with available results.The atomic configuration stress-strain curves are given and analyzed in detail.The simulation results shows that for the same length gold nanowires,the Young’s modulus and the yielding stress would decrease with the decreasing of the diameter-size of gold nanowires.Due to surface pre-melting at room temperature,the nanowire with the smallest diameter was about 20.9% smaller than the experimental value 41.95GPa.The nanowires displayed crystalline-ordered deformation governed by the formation of a main dislocation plane and the development of sub-planes around the main plane.In case of diameters smaller than 5.84nm,the nanowires experienced a DEDP (double elastic periods and double plastic periods) phenomenon subject to the strain rate and the characteristic size.

关键词： Gold nanowire Molecular dynamics EAM potential Tensile behavior

作者: Weidong Wan Chenglong Yi Boyuan Ma

作者单位: School of Electrical and Mechanical Engineering, Xidian University, Xi’an 710071, CHINA

会议类型: 国际会议

会议名称: 中国微米纳米技术学会第14届学术年会、第3届国际年会暨第6届微米纳米技术“创新与产业化国际研讨与展览会(CSMNT2012 & ICMAN2012)

会议地点: 杭州

会议语种:英文

页码: 1-8

在线出版日期: 2012-11-04（万方平台首次上网日期，不代表论文的发表时间）