界面旋转角对双晶镁力学性质影响的分子动力学模拟

王琛; 宋海洋; 安敏荣

doi:10.7498/aps.63.046201

摘要

采用分子动力学模拟方法，研究了在拉伸载荷下晶界对双晶镁变形机制的影响，对不同旋转角度的模型以及对称与非对称结构的模型进行了研究. 模拟结果表明: 应变加载方向与晶向所成角度对双晶镁塑形变形阶段的流动应力能够产生明显的影响；对称结构的双晶镁模型的塑性性质明显优于非对称结构模型. 研究结果还发现，由于晶界区域不同的位错成核及发射等运动，大角度双晶模型的塑性响应明显优于对应小角度模型的塑性响应.

关键词:

The effects of grain boundary on the deformation behavior of magnesium bicrystals under tensile loading are investigated using molecular dynamics simulation method. Deformation mechanisms of both asymmetric and symmetric magnesium bicrystals are studied. The results show that the twist angle could exert a significant influence on the flow stress in the plastic stage. It is found that the plastic property of symmetric magnesium bicrystal is much better than that of asymmetric counterpart. In addition, for bicrystalline metal with large twist angle, its plastic response is better than that with small angle, owing to the dislocation nucleation activity in the grain boundary region.

Keywords:

作者及机构信息

1.
西安邮电大学理学院, 西安 710121

基金项目: 国家自然科学基金（批准号：10902083）、教育部新世纪优秀人才支持计划（批准号：NCET-12-1046）和陕西省青年科技新星支持计划（批准号：2012KJXX-39）资助的课题.

Authors and contacts

1.
School of Science, Xi'an University of Posts and Telecommunications, Xi'an 710121, China

Funds: Project supported by the National Natural Science Foundation of China (Grant No. 10902083), the Program for New Century Excellent Talents in University, China (Grant No. NCET-12-1046), and the New Scientific and Technological Star of Shaanxi Province, China (Grant No. 2012KJXX-39).

参考文献

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施引文献

[1]	An M R, Song H Y, Su J F 2012 Chin. Phys. B 21 106202
[2]	Ji Q G, Du Y W 2000 Acta Phys. Sin. 49 2281 (in Chinese) [计齐根, 都有为 2000 物理学报 49 2281]
[3]	Xie H X, Liu B, Yin F X, Yu T 2013 Chin. Phys. B 22 010204
[4]	He Y G, Lu A X, Wan Q, Zhou Y M 2009 Chin. Phys. B 18 3966
[5]	Wang R Z, Xu L C, Yan H, Kohyama M 2012 Acta Phys. Sin. 61 026801 (in Chinese) [王如志, 徐利春, 严辉, 香山正宪 2012 物理学报 61 026801]
[6]	Zhao X C, Liu X M, Gao Y, Zhuang Z 2010 Acta Phys. Sin. 59 6362 (in Chinese) [赵雪川, 刘小明, 高原, 庄茁 2010 物理学报 59 6362]
[7]	Liu X M, You X C, Liu Z L, Nie J F, Zhuang Z 2009 Acta Phys. Sin. 58 1849 (in Chinese) [刘小明, 由小川, 柳占立, 聂君峰, 庄茁 2009 物理学报 58 1849]
[8]	Song H Y, Li Y L 2012 Acta Phys. Sin. 61 226201 (in Chinese) [宋海洋, 李玉龙 2012 物理学报 61 226201]
[9]	Pelaez S, Mochales P G, Serena P A 2012 Comput. Mater. Sci. 58 1
[10]	Song H Y, Li Y L 2012 J. Appl. Phys. 112 054322
[11]	Song H Y, Li Y L 2012 J. Appl. Phys. 111 044322
[12]	Wen Y H, Wang Q, Liew K M, Zhu Z Z 2010 Phys. Lett. A 374 2949
[13]	Deng C, Sansoz F 2009 Acs. Nano. 10 3001
[14]	Swygenhoven H V 2002 Science 296 66
[15]	Lu L, Chen X, Huang X, Lu K 2009 Science 323 607
[16]	Kedarnath K, Rauf G M, Dimitrios M 2009 J. Appl. Phys. 105 093515
[17]	Schiotz J, Jacobsen K W 2003 Science 301 1357
[18]	Zheng Y G, Zhang H W, Chen Z, Lu C, Mai Y W 2009 Phys. Lett. A 373 570
[19]	Zheng Y G, Zhang H W, Chen Z, Wang L, Zhang Z Q, Wang J B 2008 Appl. Phys. Lett. 92 041913
[20]	Wu Z X, Zhang Y Z, Srolovitz D J 2011 Acta Mater. 59 6890
[21]	Cao A J, Wei Y G 2007 J. Appl. Phys. 102 083511
[22]	Song H Y, Li Y L 2012 Phys. Lett. A 376 529
[23]	Li B, Ma E 2009 Acta Mater. 57 1734
[24]	Kim D H, Manuel M V, Ebrahimi F, Tulenko J S, Phillpot S P 2010 Acta Mater. 58 6217
[25]	Kim D H, Ebrahimi F, Manuel M V, Tulenko J S, Phillpot S 2011 Mater. Sci. Eng. A 528 5411
[26]	Li B, Ma E 2009 Phys. Rev. Lett. 103 035503
[27]	Liu X Y, Adams J B, Ercolessi F, Moriarty J A 1996 Modell. Simul. Mater. Sci. Eng. 4 293
[28]	Melchionna S, Cicotti G, Holian B L 1993 Mol. Phys. 78 533
[29]	Melchionna S 2000 Phys. Rev. E 61 6165
[30]	Stukowski A 2010 Modell. Simul. Mater. Sci. Eng. 18 015012
[31]	Faken D, Jonsson H 1994 Compos. Mater. Sci. 2 279
[32]	Milstein F, Rasky D 1982 Philiosophic Magazine A 45 49
[33]	Takuya U, Wakabayashi N, Hirabayashi Y, Ohno N 2008 Int. J. Mech. Sci. 50 956
[34]	Qi H G, Guo Y F 2008 Chin. J. Comput. Mech. 25 72 (in Chinese) [亓宏刚, 郭雅芳 2008 计算力学学报 25 72]

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