Fatigue crack growth in magnesium single crystals under cyclic loading: Molecular dynamics simulation

IF 3.3 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Computational Materials Science Pub Date : 2010-04-01 DOI:10.1016/j.commatsci.2010.02.003

Tian Tang, Sungho Kim, M.F. Horstemeyer

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引用次数: 92

Abstract

The fatigue crack propagation behavior of magnesium single crystal was analyzed using molecular dynamics simulation. The inter-atomic potential used in this investigation is Embedded Atom Method (EAM) potentials. The studies of the mechanism of fatigue crack growth in different crystal orientation were performed using Center Crack (CC) specimens while Edge Crack (EC) specimens were employed to investigate the effects of strain rate and temperature. For CC specimen, the periodic boundary conditions were assigned in the x and z direction, while for EC specimen, only z direction was allowed periodic boundary conditions. In order to study the orientation dependence of fatigue crack growth mechanism, 10 crystal orientations of initial crack were analyzed and the simulation results reveal that the fatigue crack growth rate and the crack path vary significantly with the crystallographic orientations of initial crack. The growth rate of orientation D is the highest and the resistance of fatigue crack growth of orientation B is the highest. The analysis of the influences of strain rate was carried out on the orientation F and the results revealed that the growth rate of fatigue crack decreasing with increasing strain rate. The fatigue crack growth rates of different orientation decrease with increasing temperature.

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循环载荷下镁单晶疲劳裂纹扩展:分子动力学模拟

采用分子动力学模拟方法分析了镁单晶的疲劳裂纹扩展行为。本研究中使用的原子间电位是嵌入原子法(EAM)电位。采用中心裂纹(CC)试样研究了不同晶向下疲劳裂纹扩展的机理，采用边缘裂纹(EC)试样研究了应变速率和温度对疲劳裂纹扩展的影响。CC试件在x方向和z方向设置周期边界条件，EC试件只在z方向设置周期边界条件。为了研究疲劳裂纹扩展机制的取向依赖性，对10种初始裂纹的晶体取向进行了分析，模拟结果表明，疲劳裂纹的扩展速率和裂纹路径随初始裂纹的晶体取向发生显著变化。取向D的扩展速率最高，取向B的抗疲劳裂纹扩展能力最高。对应变速率对取向F的影响进行了分析，结果表明，随着应变速率的增加，疲劳裂纹的扩展速度逐渐减小。不同取向的疲劳裂纹扩展速率随温度升高而减小。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Computational Materials Science 工程技术-材料科学：综合

CiteScore

6.50

自引率

6.10%

发文量

665

审稿时长

26 days

期刊介绍： The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.