单晶Cu(001)薄膜塑性变形的分子动力学模拟

何安民; 邵建立; 王裴; 秦承森

doi:10.7498/aps.59.8836

摘要

使用分子动力学方法,模拟研究了单晶Cu(001)薄膜在双向等轴拉伸应变下的塑性变形行为.当应变超过一定值时,样品通过产生位错、层错及孪晶而发生塑性变形.当应变相对较低时,不全位错首先在薄膜表面形核并在密排面上滑移,留下堆积层错;当应变增加时,位错在表面与内部同时成核生长,层错数量也随之增加.分析了相邻滑移面上的位错之间相互作用形成孪晶的微观过程.材料内部形成大量堆积层错及孪晶后,较大孪晶的密排面上的原子也会发生滑移,形成孪晶内部的层错结构以释放残余应力.

关键词:

Abstract

Molecular dynamics simulations are performed to study the plastic deformation behavior of single-crystalline copper film subjected to biaxial tensile strain. The unltrathin film is oriented normal to the [001] crystallographic direction. Beyond a critical value, the film deforms plastically through nucleation, motion and interaction of dislocations. The progress of twinning formed by the motion of Shockley partial dislocations in successive atomic planes is analyzed. Additional stacking faults bounded by twin boundaries are formed in some large newborn twins to release residual strain.

Keywords:

作者及机构信息

1.
北京应用物理与计算数学研究所,北京 100094

基金项目: 中国工程物理研究院科学技术发展基金(批准号:2009A0101007, 2008B0101008)资助的课题.

Authors and contacts

1.
Institute of Applied Physics and Computational Mathematics, Beijing 100094, China

参考文献

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施引文献

[1]	McFadden S X, Mishra R S, Valiev R Z, Zhilyaev A P, Mukherjee A K 1999 Nature 398 684
[2]	Wang Y M, Ma E 2004 Appl. Phys. Lett. 85 2750
[3]	Lu L, Chen X, Huang X, Lu K 2009 Science 323 607
[4]	Zhang X, Wang H, Scattergood R O, Narayan J, Koch C C, Sergueeva A V, Mukherjee A K 2002 Appl. Phys. Lett. 81 823
[5]	Wang Y M, Chen M W, Zhou F H, Ma E 2002 Nature 419 912
[6]	Schitz J, Ditolla F D, Jacobsen K W 1998 Nature 391 561
[7]	Kumar K S, Suresh S, Chisholm M F, Horton J A, Wang P 2003 Acta Mater. 51 387
[8]	Swygenhoven H V 2002 Science 296 66
[9]	Chen M W, Ma E, Hemker K J, Sheng H W, Wang Y M, Cheng X M 2003 Science 300 1275
[10]	Abraham F F 2003 Adv. Phys. 52 727
[11]	Bulatov V, Abraham F F, Kubin L, Devincre B, Yip S 1998 Nature 391 669
[12]	Gungor M R, Maroudas D 2005 Appl. Phys. Lett. 87 171913
[13]	He A M, Shao J L, Qin C S, Wang P 2009 Acta Phys. Sin. 58 5667 (in Chinese)[何安民、邵建立、秦承森、王裴 2009 物理学报 58 5667]
[14]	Kolluri K, Gungor M R, Maroudas D 2009 Appl. Phys. Lett. 94 101911
[15]	Liu X M, You X C, Liu Z L, Nie J F, Zhuang Z 2009 J. Phys. D 42 035407
[16]	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]
[17]	Xu Z H, Yuan L, Shan D B, Guo B 2009 Acta Phys. Sin. 58 4835 (in Chinese) [徐振海、袁琳、单德彬、郭斌 2009 物理学报 58 4835]
[18]	Liu Y L,Zhao X, Zhang Z N, Zhang L, Wang S Q, Ye H Q 2009 Acta Phys. Sin. 58 S246 (in Chinese)[刘永利、赵星、张宗宁、张林、王绍青、叶恒强 2009 物理学报 58 S246]
[19]	Chen K G, Zhu W J, Ma W, Deng X L, He H L, Jing F Q 2010 Acta Phys. Sin. 59 1225 (in Chinese)[陈开果、祝文军、马文、邓小良、贺红亮、经福谦 2010 物理学报 59 1225]
[20]	Kolluri K, Gungor M R, Maroudas D 2008 J. Appl. Phys. 103 123517
[21]	Kolluri K, Gungor M R, Maroudas D 2008 Phys. Rev. B 78 195408
[22]	Mei J, Davenport J W, Fernando G W 1991 Phys. Rev. B 43 4653
[23]	Hoffmann K H 1996 Computational Physics (Berlin, Heidelberg: Springer-Verlag) p268
[24]	Kelchner C L, Plimpton S J, Hamilton J C 1998 Phys. Rev. B 58 11085
[25]	Tanguy D, Mareschal M, Lomdahl P S, Germann T C, Holian B, Ravelo R 2003 Phys. Rev. B 68 144111

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