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The shock-induced phase transformation of nanocrystalline iron with different grain sizes is investigated by using molecular dynamic simulations. The critical shock stress for shock-induced phase transformation (from body-cubic centered α phase into hexagonal-close packed ε phase) of nanocrystalline irons is about 15 GPa. Under shock compression, the nanocrystalline irons first experience elastic deformation, then plastic deformation purely caused by grain boundaries, after that phase transformation nucleated mostly at the grain boundaries, and finally nucleation areas expanding into the entire samples. These processes can be reflected by the stress profile and the particle velocity profile, and also be distinguished by local atomic structures analyses in the corresponding areas. The microstructures of the shocked samples consist of grain boundary and hexagonal-closed packed new phase with the face-cubic centered atoms as the twin boundary. The grain size obviously influences the deformation of grain boundary and the microstructure after shock compression, and turns to change the profiles of stress or velocity. The mechanism is primarily analyzed.
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Keywords:
- phase transformation /
- nanocrystalline iron /
- shock wave /
- molecular dynamics
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[3] Kalantar D H, Belak J F, Collins G W, Colvin J D, Davies H M, Eggert J H, Germann T C, Hawreliak J, Holian B L, Kadau K, Lomdahl P S, Lorenzana H E, Meyers M A, Rosolankova K, Schneider M S, Sheppard J, Stölken J S, Wark J S 2005 Phys. Rev. Lett. 95 075502
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[14] Ma W, Zhu W J, Zhang Y L, Chen K G, Jing F Q, Deng X L 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 59 4781]
[15] 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 55 4767]
[16] 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 59 1225]
[17] Harrison P, Voter A F, Chen S P 1989 in Atomic Simulation of Materials Edited by Vitek V, Srolovitz D J (New York: Plenum Press)
[18] Gupta Y M, Winey J M, Trivedi P B, Lalone B M, Smith R F, Eggert J H, Collins G W 2009 J. Appl. Phys. 105 036107
[19] Wang H T, Yang W 2004 Adv. Mech. 34 314 (in Chinese) [王宏涛、杨 卫 2004 力学进展 34 314]
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[1] Bancroft D, Peterson E L, Minshall S 1956 J. Appl. Phys. 27 291
[2] Asay J R, Chhabildas L C 2003 High-Pressure Shock Compression of Solids Ⅵ edited by Horie Y, Davison L, Thadhani N N (New York: Springer)
[3] Kalantar D H, Belak J F, Collins G W, Colvin J D, Davies H M, Eggert J H, Germann T C, Hawreliak J, Holian B L, Kadau K, Lomdahl P S, Lorenzana H E, Meyers M A, Rosolankova K, Schneider M S, Sheppard J, Stölken J S, Wark J S 2005 Phys. Rev. Lett. 95 075502
[4] 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
[5] Kadau K, Germann T C, Lomdahl P S, Holian B L 2002 Science 296 1681
[6] Kadau K, Germann T C, Lomdahl P S, Holian B L 2005 Phys. Rev. B 72 064210
[7] Cui X L, Zhu W J, He H L, Deng X L, Li Y J 2008 Phys. Rev. B 78 024115
[8] Cui X L, Zhu W J, Deng X L, Li Y J, He H L 2006 Acta Phys. Sin. 55 5545 (in Chinese) [崔新林、祝文军、邓小良、李英骏、贺红亮 2006 55 5545]
[9] Shao J L, Qin C S, Wang P 2009 Acta Phys. Sin. 58 1936 (in Chinese) [邵建立、秦承森、王 裴 2009 58 1936]
[10] Shao J L, Qin C S, Wang P, Zhou H Q 2007 Acta Phys. Sin. 56 5389 (in Chinese) [邵建立、秦承森、王裴、周洪强 2007 物 理学报 56 5389] 〖11] Shao J L, Qin C S, Wang P, Zhou H Q 2008 Acta Phys. Sin. 57 1254 (in Chinese) [邵建立、秦承森、王 裴、周洪强 2008 57 1254]
[11] Ma W, Zhu W J, Jing F Q 2010 Appl. Phys. Lett. 97 121903
[12] Ma W, Zhu W J, Chen K G, Jing F Q 2011 Acta Phys. Sin. 60 016107 (in Chinese) [马 文、祝文军、陈开果、经福谦 2011 60 016107]
[13] Chen D 1995 Comput. Mater. Sci. 3 327
[14] Ma W, Zhu W J, Zhang Y L, Chen K G, Jing F Q, Deng X L 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 59 4781]
[15] 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 55 4767]
[16] 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 59 1225]
[17] Harrison P, Voter A F, Chen S P 1989 in Atomic Simulation of Materials Edited by Vitek V, Srolovitz D J (New York: Plenum Press)
[18] Gupta Y M, Winey J M, Trivedi P B, Lalone B M, Smith R F, Eggert J H, Collins G W 2009 J. Appl. Phys. 105 036107
[19] Wang H T, Yang W 2004 Adv. Mech. 34 314 (in Chinese) [王宏涛、杨 卫 2004 力学进展 34 314]
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