Non-equilibrium molecular dynamics simulations of the spallation in Ni: Effect of vacancies

被引：24

作者：

Qiu, Tian ^{[1
]}

Xiong, Yongnan ^{[2
]}

Xiao, Shifang ^{[1
]}

Li, Xiaofan ^{[1
]}

Hu, Wangyu ^{[2
]}

Deng, Huiqiu ^{[1
,2
]}

机构：

[1] Hunan Univ, Sch Phys & Elect, Dept Appl Phys, Changsha 410082, Hunan, Peoples R China

[2] Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Hunan, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2017年 / 137卷

基金：

中国国家自然科学基金;

关键词：

Spallation; Vacancy concentration; Shock wave; Molecular dynamics simulations; SINGLE-CRYSTAL; SHOCK COMPRESSION; NUCLEATION; PLASTICITY; FRACTURE; DEFECTS; GROWTH; NICKEL; MODEL;

D O I：

10.1016/j.commatsci.2017.05.039

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The effects of defects on the fracture resistance of materials have attracted considerable attention recently. In the present work, the vacancy effects on the spallation in single-crystalline Ni are studied by nonequilibrium molecular dynamics simulations. The vacancy concentration ranges from 0% to 2.0%, and the spallation in shock wave loading along three low-index directions ([001], [110], and [111]) is investigated. We found that vacancies provide the sites of nucleation for compression-induce plasticity, and tension stress-induced plasticity plays the key role in void nucleation. Along the [001] direction, the degree of spall damage does not increase with the increase in vacancy concentration; however, along the [110] and [111] directions, it decreases with the increase in vacancy concentration when the vacancy concentration is higher than the threshold value. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：273 / 281

页数：9

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