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纳米尺度Au/Cu多层膜压痕下变形与力学性能的分子动力学研究

Molecular dynamics study on deformation and mechanics of nanoscale Au/Cu multilayers under indentation.

作者信息

Wu Cheng-Da, Jiang Wen-Xiang

机构信息

Department of Mechanical Engineering, Chung Yuan Christian University, 200 Chung Pei Rd., Chung Li District, Taoyuan City, 32023, Taiwan.

出版信息

J Mol Model. 2018 Aug 26;24(9):253. doi: 10.1007/s00894-018-3792-7.

Abstract

The effects of individual layer thickness, indentation velocity, and temperature on the mechanical properties and mechanics of nanoscale Au/Cu multilayers under indentation were studied using molecular dynamics simulations based on the many-body embedded-atom potential. The simulation results show that layer interfaces act as strong barriers that resist the propagation of dislocations, even at an extremely small individual layer thickness of 3 nm. The number of dislocations increases significantly and the growth of dislocations decreases with decreasing individual layer thickness. There is no clear relationship between the magnitude of the required indentation force and the number of film layers; however, the average required indentation force increases with increasing indentation velocity and decreasing temperature. During indentation at a relatively low velocity, dislocation propagation is more significant; the number of disordered atoms significantly increases at a relatively high indentation velocity.

摘要

基于多体嵌入原子势,采用分子动力学模拟研究了单个层厚度、压痕速度和温度对纳米级金/铜多层膜在压痕作用下的力学性能和力学行为的影响。模拟结果表明,即使在单个层厚度极小至3纳米时,层界面也作为强大的障碍阻止位错的传播。位错数量显著增加,且位错的增长随单个层厚度的减小而降低。所需压痕力的大小与膜层数之间没有明确的关系;然而,平均所需压痕力随压痕速度的增加和温度的降低而增大。在相对较低速度下压痕时,位错传播更显著;在相对较高压痕速度下,无序原子的数量显著增加。

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