物理学报Issue(6)：115-119,5.DOI:10.7498/aps.62.063103
金纳米管力学性能的分子动力学模拟
Molecular dynamics simulation on mechanical properties of gold nanotubes∗
摘要
Abstract
The tensile and compressive mechanical properties of gold nanotubes in different crystal orientations as well as the tensile mechan-ical properties of the same thinkness of gold nanotubes at different radius. are investigated using the molecular dynamics simulation method. In the simulation, we select embedded atom method as the interatomic potential function. The result shows that mechanical properties in the tensile and compressive process in different crystallographic orientations are dramatically different from each other, where the yield strength of the direction⟨110⟩is the highest and the yield strength and the Young’s modulus in the direction⟨100⟩are less than in the⟨110⟩and⟨111⟩crystal orientation. The yield strength has no major changes when the radius is less than 3.0 nm, but it obviously decreases with the increase of the radius when the radius is larger than 3.0 nm.关键词
分子动力学模拟/金纳米管/力学性能Key words
molecular dynamics/gold nanotubes/mechanical property引用本文复制引用
苏锦芳,宋海洋†,安敏荣..金纳米管力学性能的分子动力学模拟[J].物理学报,2013,(6):115-119,5.基金项目
国家自然科学基金(批准号:11075135)、陕西省自然科学基础研究项目(批准号:2010JM1012)、陕西省教育厅科研计划项目(批准号:2010JK895)和咸阳师范学院科研基金(批准号:09XSYK106)资助的课题 （批准号:11075135）
