含水条件下单晶<strong>Cu</strong>的应力松弛及弹性恢复

doi:10.11900/0412.1961.2019.00041

金属学报

2019, Vol. 55

Issue (8): 1034-1040 DOI: 10.11900/0412.1961.2019.00041

本期目录 | 过刊浏览

含水条件下单晶Cu的应力松弛及弹性恢复

史俊勤¹,孙琨²,方亮²,许少锋³(

)

1. 西安稀有金属材料研究院有限公司西安 710016
2. 西安交通大学金属材料强度国家重点实验室西安 710049
3. 浙江大学宁波理工学院宁波 315000

Stress Relaxation and Elastic Recovery of Monocrystalline Cu Under Water Environment

Junqin SHI¹,Kun SUN²,Liang FANG²,Shaofeng XU³(

)

1. Xi’an Rare Metal Materials Institute Co. , Ltd. , Xi’an 710016, China
2. State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China
3. Ningbo Institute of Technology, Zhejiang University, Ningbo 315000, China

引用本文:

史俊勤,孙琨,方亮,许少锋. 含水条件下单晶Cu的应力松弛及弹性恢复[J]. 金属学报, 2019, 55(8): 1034-1040.
Junqin SHI, Kun SUN, Liang FANG, Shaofeng XU. Stress Relaxation and Elastic Recovery of Monocrystalline Cu Under Water Environment[J]. Acta Metall Sin, 2019, 55(8): 1034-1040.

全文: PDF(8286 KB) HTML

摘要:

采用分子动力学方法研究了不同含水条件下单晶Cu纳米压入过程中的应力松弛和弹性恢复行为。结果表明，恒定变形量下单晶Cu承受的应力减小，发生应力松弛现象，水膜存在时单晶Cu的应力松弛量大于无水情况。纳米压入过程中Cu原子间距随压入深度增加而快速减小，应力松弛阶段Cu原子间的最邻近距离未有明显变化，卸载初期Cu原子间距因变形区域弹性能及位错能的释放而迅速增大。含水条件下单晶Cu内部形成的位错明显多于无水情况，说明不可恢复性变形量因水膜的出现而加剧；卸载结束时部分变形得以释放，促进了部分位错消失，水膜的存在阻碍了弹性恢复和塑性变形的释放。

关键词 ：应力松弛, 弹性恢复, 单晶Cu, 分子动力学

Abstract：

The stress relaxation and elastic recovery have an important effect on the mechanical and electrical properties of metallic crystal materials, which restricts the range of application and working life of materials. However, during plastic deformation of materials, the relaxation and elastic recovery behaviors are still not very clear at the nanoscale. In this work, the stress relaxation and elastic recovery of monocrystalline Cu under water environment is studied by molecular dynamics simulation. The results indicate the stress acting on Cu surface decreases at constant strain, meaning the occurrence of stress relaxation phenomenon. The stress relaxation increases with water film thickening compared with no-water environment. The separation between Cu atoms dramatically decreases with the increasing indentation depth at indenting stage, and there is no clear change in the nearest interatomic separation at stress relaxation stage, but the separation increases rapidly due to the release of elastic energy and dislocation energy at the unloading stage. The nucleated dislocations within Cu coated by water film are obviously more than that without water, which suggests the water film increases the unrecovered deformation in the total nanoindentation process. During unloading, partial dislocations disappear because of the deformation energy release, while the water film impedes the elastic recovery and plastic release.

Key words： stress relaxation elastic recovery monocrystalline Cu molecular dynamics

收稿日期: 2019-02-20

ZTFLH:

TG14

基金资助:国家自然科学基金青年科学基金项目((No.51605432));浙江省自然科学基金青年科学基金项目((No.LQ16E050007));宁波市自然科学基金项目((No.2015A610097))

作者简介: 史俊勤，男，1987年生，博士

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https://www.ams.org.cn/CN/10.11900/0412.1961.2019.00041 或 https://www.ams.org.cn/CN/Y2019/V55/I8/1034

图1 含水条件下的单晶Cu纳米压入初始模型

表1 TIP4P和Lennard-Jones势函数参数[30,31,32]

图2 纳米压痕位移控制示意图

图3 无水膜及水膜厚度为1.0、2.0、3.0 nm时单晶Cu的载荷-压深曲线

图4 不同水环境下单晶Cu的纳米压入区域最邻近Cu原子间距变化

图5 无水膜及水膜厚度为1.0、2.0、3.0 nm时压头卸载前(橙色)后(蓝色)单晶Cu切片构型图

图6 无水膜及水膜厚度为1.0、2.0、3.0 nm时纳米压入过程结束(左)、应力松弛后(中)及卸载结束后(右)压痕区域的缺陷构型

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