| 张宁,杨新华,陈传尧.含球形孔洞双晶铜单向拉伸性能的分子动力学模拟[J].计算力学学报,2010,27(2):330~335 |
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| 含球形孔洞双晶铜单向拉伸性能的分子动力学模拟 |
| Molecular dynamic simulation for uniaxial tension properties of bicrystal Cu with spherical void |
| 投稿时间：2008-08-23 |
| DOI：10.7511/jslx20102026 |
| 中文关键词: 分子动力学 双晶铜 孔洞 晶界 |
| 英文关键词:molecular dynamic bicrystal copper void interface |
| 基金项目:教育部新世纪优秀人才支持计划(NCET-06-0645);湖北省杰出青年基金(2007ABB010);高校博士点基金(200804870025)资助项目. |
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| 摘要点击次数: 1821 |
| 全文下载次数: 1220 |
| 中文摘要: |
| 采用分子动力学方法模拟了在单向拉伸载荷作用下含孔洞双晶铜晶体的力学行为,研究了晶粒内部孔洞和晶界孔洞对晶体力学行为的影响。结果表明,孔洞可以显著降低双晶体的弹性模量和屈服应力。对于晶粒内部关于晶界对称的孔洞,随着孔间距的增大,晶体弹性模量和屈服应力都有明显的提高;当保持孔间距不变而改变孔半径时,随着孔体积的不断增大,晶体弹性模量和屈服应力又都呈现出递减趋势。对于晶界上的孔洞,孔洞形状对晶体拉伸性能有显著影响,并且随着孔半径的增大,晶体弹性模量和屈服应力呈现出递减趋势,如果保持孔洞总体积恒定而依次增加孔洞数量,则晶体弹性模量和屈服应力逐渐减小。 |
| 英文摘要: |
| Molecular dynamic method is utilized for simulating bicrystal copper samples with spherical voids under uniaxial tension, and effects of two kinds of voids, inside the grains and on the boundary, on mechanical behaviors of bicrystals are investigated. It is shown from the results that the elastic modulus and yield stress of crystals decrease obviously due to voids. For the case that voids are inside the grains and symmetric with regard to the boundary, the elastic modulus and yield stress both increase with the increase of the distance between voids, and decrease with the increase of the void radius on the condition that the distance between voids is assumed to be constant. For the case that a void lies in the grain boundary, the void shape has great influence on tensile properties, and the elastic modulus and the yield stress both decrease gradually with the increase of the void radius. If the total volume of voids is fixed, the elastic modulus and the yield stress drop down when the void amount increases. |
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