三类镍单晶纳米材料的力学行为与性能

来源期刊：中国有色金属学报2006年第8期

论文作者：黄丹 郭乙木

文章页码：1368 - 1373

关键词：纳米镍； 力学行为； 力学性能； 分子动力学；表面效应

Key words：nano nickel; mechanical behavior; mechanical properties; molecular dynamics; surface effects

摘    要：基于镶嵌原子势采用分子动力学方法研究了纳米镍单晶一维纳米丝、 二维纳米薄膜和三维纳米固体的拉伸变形破坏过程和力学行为与性能，分析了3类典型纳米金属材料的本征应力、 初始能量状态和变形机制以及破坏过程中的能量和应力变化， 讨论了自由表面对纳米金属材料力学行为和性能的影响。模拟得到镍单晶纳米丝、 薄膜和三维固体的弹性模量分别为145.45、 186.6和122.03 GPa； 断裂强度分别为22.293、 21.08和19.98 GPa； 纳米丝和固体的破坏中出现短暂屈服， 屈服强度分别为14.451和13.67 GPa， 纳米薄膜的断裂无屈服。

Abstract: The failure process, mechanical behavior and properties of nano-scale nickel wire, film and block were studied by molecular dynamics method based on embedded atomic potential. The initial energy and stress, deformation process, variation of energy and atomic stress under tension in three kinds of nano materials were analyzed, respectively. The simulation results show the surface effects on mechanical behavior and properties of nano materials, and the constitutive relationship and elastic modulus (nano wire: 145.45 GPa; film: 186.6 GPa; block: 122.03 GPa), yielding strength (wire: 14.451 GPa; block: 13.67 GPa) and fracture strength (wire: 22.293 GPa; film: 21.08 GPa; block: 19.98 GPa) of each kind of nano materials are obtained.

基金信息：国家自然科学基金资助项目