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Molecular dynamics investigation of shock front in nanocrystalline aluminum: grain boundary effects

Zhu Wen-Jun Chen Kai-Guo Ma Wen Jing Fu-Qian

Molecular dynamics investigation of shock front in nanocrystalline aluminum: grain boundary effects

Zhu Wen-Jun, Chen Kai-Guo, Ma Wen, Jing Fu-Qian
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  • The shock front structure and the plastic deformation of nanocrystalline aluminum under shock loading are investigated by using molecular dynamics simulations. The simulation results show that: after the elastic wave was generated, the grain boundary sliding and deformation dominated the early plastic deformation mechanisms, then the partial dislocations were nucleated at the deformed grain boundaries and spread within the grains, finally the process of stacking faults, deformation twins and full dislocation formation in the grain dominated the latter stage of the plastic deformation. The structural characteristics after the shock front swept over is that the stacking faults and the deformation twins are left in grains, and the majority of the full dislocations are annihilated at the opposite grain boundaries. It is reported for the first time that the shock front structure reflects the time sequence of two different plastic deformation mechanisms in nanocrystalline aluminum.
    • Funds:
    [1]

    Zhakhovskii V V, Zybin S V, Nishihara K, Anisimov S I 1999 Phys. Rev. Lett. 83 1175

    [2]

    Jones O E, Holland J R 1968 Acta Metall. 16 1037

    [3]

    Chhabildas L C, Asay J R 1979 J. Appl. Phys. 50 2749

    [4]

    Gahagan K T, Moore D S, Funk D J, Rabie R L, Buelow S J, Nicholson J W 2000 Phys. Rev. Lett. 85 3205

    [5]

    Holian B L 2003 High-Pressure Shock Compression of Solids VI edited by Horie Y, L Davison, and N N Thadhani (New York: Springer)

    [6]

    Meyers M A 1977 Mater. Sci. Eng. 30 13

    [7]

    Meyers M A, Carvalho M S 1976 Mater. Sci. Eng. 24 5

    [8]

    Barber J L, Kadau K 2008 Phys. Rev. B 77 144106

    [9]

    Germann T C, Holian B L, Lomdahl P S, Ravelo R 2000 Phys. Rev. Lett. 84 4

    [10]

    Holian B L, Lomdahl P S 1998 Science 280 4

    [11]

    Cao B, Bringa E M, Meyers M A 2007 Metall. Mater. Trans. A 38 2681

    [12]

    Weertman J R 2002 Nanostructured Materials: Processing, Properties, and Potential Applications edited by Koch C C (New York: William Andrew Publishing)

    [13]

    Dao M, Lu L, Asaro R J, Hosson J T M D, Ma E 2007 Acta Mater. 55 25

    [14]

    Meyers M A, Mishra A, Benson D J 2006 Prog. Mater. Sci. 51 427

    [15]

    Kumar K S, Van Swygenhoven H, Suresh S 2003 Acta Mater. 51 5743

    [16]

    Bringa E M, Caro A, Wang Y M, Victoria M, McNaney J M, Remington B A, Smith R F, Torralva B R, Van Swygenhoven H 2005 Science 309 1838

    [17]

    Kadau K, Germann T C, Lomdahl P S, Albers R C, Wark J S, Higginbotham A, Holian B L 2007 Phys. Rev. Lett. 98 135701

    [18]

    Jarmakani H N, Bringa E M, Erhart P, Remington B A, Wang Y M, Vo N Q, Meyers M A 2008 Acta Mater. 56 5584

    [19]

    Bringa E M, Caro A, Victoria M, Park N 2005 JOM 57 67

    [20]

    Chen D 1995 Comput. Mater. Sci. 3 327

    [21]

    Ma W, Zhu W J, Zhang Y L, Chen K G, Jing F Q, 2010 Acta Phys. Sin. 59 4781 (in Chinese)[马 文、祝文军、 张亚林、 陈开果、 邓小良、 经福谦 2010 物理学报 59 4781]

    [22]

    Mishin Y, Parkas D, Mehl M J, Papaconstantopoulos D 1999 Mater. Res. Soc. Symp. Proc. 538 535

    [23]

    Wang H Y, Zhu W J, Song Z F, Liu S J, Chen X R, He H L 2008 Acta Phys. Sin. 57 3703(in Chinese)[王海燕、祝文军、 宋振飞、 刘绍军、 陈向荣、 贺红亮 2008 物理学报 57 3703]

    [24]

    Wang H Y, Zhu W J, Deng X L, Song Z F, Chen X R 2009 Acta Phys. Sin. 58 1154(in Chinese)[王海燕, 祝文军, 邓小良, 宋振飞, 陈向荣 2009 物理学报 58 1154]

    [25]

    Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950

    [26]

    Cormier J, Rickman J M, Delph T J 2001 J. Appl. Phys. 89 99

    [27]

    Deng X L, Zhu W J, He H L, Wu D X, Jing F Q 2006 Acta Phys. Sin. 55 4767(in Chinese)[邓小良、 祝文军、 贺红亮、 伍登学、 经福谦 2006 物理学报 55 4767]

    [28]

    Jing F Q 1999 Introduction to Experimental Equation of States (ed. 2) (Beijing: Science Press) p91(in Chinese) [经福谦 1999 实验物态方程导引(第二版) (北京: 科学出版社) 第91页]

    [29]

    Marsh P S 1980 LASL Shock Hugoniot Data (Berkeley: University of California Press)

    [30]

    Frseth A G, Derlet P M, Van Swygenhoven H 2004 Appl. Phys. Lett. 85 5863

    [31]

    Cheung K S, Yip S 1991 J. Appl. Phys. 70 5688

    [32]

    Zimmerman J A, Webb III E B, Hoyt J J, Jones R E, Klein P A, Bammann D J 2004 Modell. Simul. Mater. Sci. Eng. 12 S319

    [33]

    Van Swygenhoven H 2002 Science 296 66

    [34]

    Van Swygenhoven H, Derlet P M, Hasnaoui A 2002 Phys. Rev. B 66 024101

  • [1]

    Zhakhovskii V V, Zybin S V, Nishihara K, Anisimov S I 1999 Phys. Rev. Lett. 83 1175

    [2]

    Jones O E, Holland J R 1968 Acta Metall. 16 1037

    [3]

    Chhabildas L C, Asay J R 1979 J. Appl. Phys. 50 2749

    [4]

    Gahagan K T, Moore D S, Funk D J, Rabie R L, Buelow S J, Nicholson J W 2000 Phys. Rev. Lett. 85 3205

    [5]

    Holian B L 2003 High-Pressure Shock Compression of Solids VI edited by Horie Y, L Davison, and N N Thadhani (New York: Springer)

    [6]

    Meyers M A 1977 Mater. Sci. Eng. 30 13

    [7]

    Meyers M A, Carvalho M S 1976 Mater. Sci. Eng. 24 5

    [8]

    Barber J L, Kadau K 2008 Phys. Rev. B 77 144106

    [9]

    Germann T C, Holian B L, Lomdahl P S, Ravelo R 2000 Phys. Rev. Lett. 84 4

    [10]

    Holian B L, Lomdahl P S 1998 Science 280 4

    [11]

    Cao B, Bringa E M, Meyers M A 2007 Metall. Mater. Trans. A 38 2681

    [12]

    Weertman J R 2002 Nanostructured Materials: Processing, Properties, and Potential Applications edited by Koch C C (New York: William Andrew Publishing)

    [13]

    Dao M, Lu L, Asaro R J, Hosson J T M D, Ma E 2007 Acta Mater. 55 25

    [14]

    Meyers M A, Mishra A, Benson D J 2006 Prog. Mater. Sci. 51 427

    [15]

    Kumar K S, Van Swygenhoven H, Suresh S 2003 Acta Mater. 51 5743

    [16]

    Bringa E M, Caro A, Wang Y M, Victoria M, McNaney J M, Remington B A, Smith R F, Torralva B R, Van Swygenhoven H 2005 Science 309 1838

    [17]

    Kadau K, Germann T C, Lomdahl P S, Albers R C, Wark J S, Higginbotham A, Holian B L 2007 Phys. Rev. Lett. 98 135701

    [18]

    Jarmakani H N, Bringa E M, Erhart P, Remington B A, Wang Y M, Vo N Q, Meyers M A 2008 Acta Mater. 56 5584

    [19]

    Bringa E M, Caro A, Victoria M, Park N 2005 JOM 57 67

    [20]

    Chen D 1995 Comput. Mater. Sci. 3 327

    [21]

    Ma W, Zhu W J, Zhang Y L, Chen K G, Jing F Q, 2010 Acta Phys. Sin. 59 4781 (in Chinese)[马 文、祝文军、 张亚林、 陈开果、 邓小良、 经福谦 2010 物理学报 59 4781]

    [22]

    Mishin Y, Parkas D, Mehl M J, Papaconstantopoulos D 1999 Mater. Res. Soc. Symp. Proc. 538 535

    [23]

    Wang H Y, Zhu W J, Song Z F, Liu S J, Chen X R, He H L 2008 Acta Phys. Sin. 57 3703(in Chinese)[王海燕、祝文军、 宋振飞、 刘绍军、 陈向荣、 贺红亮 2008 物理学报 57 3703]

    [24]

    Wang H Y, Zhu W J, Deng X L, Song Z F, Chen X R 2009 Acta Phys. Sin. 58 1154(in Chinese)[王海燕, 祝文军, 邓小良, 宋振飞, 陈向荣 2009 物理学报 58 1154]

    [25]

    Honeycutt J D, Andersen H C 1987 J. Phys. Chem. 91 4950

    [26]

    Cormier J, Rickman J M, Delph T J 2001 J. Appl. Phys. 89 99

    [27]

    Deng X L, Zhu W J, He H L, Wu D X, Jing F Q 2006 Acta Phys. Sin. 55 4767(in Chinese)[邓小良、 祝文军、 贺红亮、 伍登学、 经福谦 2006 物理学报 55 4767]

    [28]

    Jing F Q 1999 Introduction to Experimental Equation of States (ed. 2) (Beijing: Science Press) p91(in Chinese) [经福谦 1999 实验物态方程导引(第二版) (北京: 科学出版社) 第91页]

    [29]

    Marsh P S 1980 LASL Shock Hugoniot Data (Berkeley: University of California Press)

    [30]

    Frseth A G, Derlet P M, Van Swygenhoven H 2004 Appl. Phys. Lett. 85 5863

    [31]

    Cheung K S, Yip S 1991 J. Appl. Phys. 70 5688

    [32]

    Zimmerman J A, Webb III E B, Hoyt J J, Jones R E, Klein P A, Bammann D J 2004 Modell. Simul. Mater. Sci. Eng. 12 S319

    [33]

    Van Swygenhoven H 2002 Science 296 66

    [34]

    Van Swygenhoven H, Derlet P M, Hasnaoui A 2002 Phys. Rev. B 66 024101

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  • Received Date:  25 March 2010
  • Accepted Date:  12 May 2010
  • Published Online:  15 January 2011

Molecular dynamics investigation of shock front in nanocrystalline aluminum: grain boundary effects

  • 1. (1)National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621900, China; (2)National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, CAEP, Mianyang 621900, China;Department of Physics, National University of Defense Technology, Changsha 410073, China

Abstract: The shock front structure and the plastic deformation of nanocrystalline aluminum under shock loading are investigated by using molecular dynamics simulations. The simulation results show that: after the elastic wave was generated, the grain boundary sliding and deformation dominated the early plastic deformation mechanisms, then the partial dislocations were nucleated at the deformed grain boundaries and spread within the grains, finally the process of stacking faults, deformation twins and full dislocation formation in the grain dominated the latter stage of the plastic deformation. The structural characteristics after the shock front swept over is that the stacking faults and the deformation twins are left in grains, and the majority of the full dislocations are annihilated at the opposite grain boundaries. It is reported for the first time that the shock front structure reflects the time sequence of two different plastic deformation mechanisms in nanocrystalline aluminum.

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