金属Mg二阶锥面<c+a>刃位错运动特性的分子动力学模拟

doi:10.11900/0412.1961.2019.00305

金属学报

2020, Vol. 56

Issue (5): 795-800 DOI: 10.11900/0412.1961.2019.00305

本期目录 | 过刊浏览

金属Mg二阶锥面<c+a>刃位错运动特性的分子动力学模拟

李美霖¹, 李赛毅¹^,²(

)

1.中南大学材料科学与工程学院长沙 410083
2.中南大学有色金属材料科学与工程教育部重点实验室长沙 410012

Motion Characteristics of <c+a> Edge Dislocation on the Second-Order Pyramidal Plane in Magnesium Simulated by Molecular Dynamics

LI Meilin¹, LI Saiyi¹^,²(

)

1.School of Materials Science and Engineering, Central South University, Changsha 410083, China
2.Key Laboratory of Nonferrous Metal Materials Science and Engineering, Ministry of Education, Central South University, Changsha 410012, China

引用本文:

李美霖, 李赛毅. 金属Mg二阶锥面<c+a>刃位错运动特性的分子动力学模拟[J]. 金属学报, 2020, 56(5): 795-800.
Meilin LI, Saiyi LI. Motion Characteristics of <c+a> Edge Dislocation on the Second-Order Pyramidal Plane in Magnesium Simulated by Molecular Dynamics[J]. Acta Metall Sin, 2020, 56(5): 795-800.

全文: PDF(1661 KB) HTML

摘要:

采用分子动力学方法模拟金属Mg的二阶锥面<c+a>刃位错在温度为300 K下的运动过程，研究不同大小及方向的外加剪切应力作用下的位错运动特性和结构演化规律。结果表明，实际驱动位错运动的有效剪切应力低于外加剪切应力；位错运动速率随外加剪切应力的增大而线性增大，在同等剪切应力下，对应于c轴拉伸变形时的位错运动速率高于c轴压缩，相应的拖曳系数显著高于同等温度下基面和柱面刃位错。位错运动特性的拉-压非对称性本质上与外加剪切应力对扩展位错宽度的影响有关。

关键词 ：位错, 分子动力学, 滑移, 拖曳系数

Abstract：

Magnesium has a hcp lattice structure, in which insufficient independent slip systems are available to accommodate applied plastic deformation at room temperature. The ductility of Mg is intimately related to the fundamental behaviors of pyramidal <c+a> dislocations, which are the major contributor to c-axis strain. In this study, the motion of <c+a> edge dislocation on the second-order pyramidal plane in Mg under external shear stress of different magnitudes and directions are simulated by molecular dynamics at 300 K, and the motion and structural evolution of dislocations are studied. The results show that the effective shear stress causing dislocation motion is lower than the external applied one and the dislocation velocity increases linearly with increasing applied shear stress. Under the same level of external shear stress, the dislocation velocity in shearing leading to c-axis tension deformation is higher than that for shearing leading to c-axis compression, and in both cases the corresponding viscous drag coefficients are significantly higher than those for basal and prismatic edge dislocations at the same temperature. The tension-compression asymmetry of dislocation motion is essentially related to the effect of applied shear stress on the extended dislocation width.

Key words： dislocation molecular dynamics slip drag coefficient

收稿日期: 2019-09-16

ZTFLH:

TG146.2

基金资助:国家自然科学基金项目(51571213);湖南省自然科学基金项目(2017JJ2312)

作者简介: 李美霖，女，1991年生，硕士生

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https://www.ams.org.cn/CN/10.11900/0412.1961.2019.00305 或 https://www.ams.org.cn/CN/Y2020/V56/I5/795

图1 刃位错运动模型示意图

图2 正剪切下有效剪切应力(τeff)和平均有效剪切应力(τˉeff)随外加剪切应力(τapp)的变化

图3 不同τapp (正剪切)下位错芯的位移(d)-时间(t)曲线

图4 正、负剪切时位错运动速率(v)随τˉeff的变化曲线

图5 不同τapp下的位错芯结构

图6 正、负剪切过程中扩展位错宽度(l)随τapp的变化

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