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Plastic deformation of single-crystalline copper films with surface orientation [001] : molecular dynamics simulations

He An-Min Shao Jian-Li Wang Pei Qin Cheng-Sen

Plastic deformation of single-crystalline copper films with surface orientation [001] : molecular dynamics simulations

He An-Min, Shao Jian-Li, Wang Pei, Qin Cheng-Sen
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  • 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.
    • Funds:
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    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

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    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

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    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

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    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

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    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

  • [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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  • Received Date:  15 December 2009
  • Accepted Date:  21 May 2010
  • Published Online:  15 December 2010

Plastic deformation of single-crystalline copper films with surface orientation [001] : molecular dynamics simulations

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

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.

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