Atomistic simulations of shock induced melting of bicrystal copper with twist grain boundary

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[1] He, A.M.
[2] Duan, Suqing
[3] Shao, Jian-Li
[4] Wang, Pei
[5] Qin, Chengsen
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He, A.M. (he_anmin@iapcm.ac.cn) | 1600年 / American Institute of Physics Inc.卷 / 112期
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We investigate the shock induced melting of Cu bicrystals with [001] twist grain boundary (GB) under various shock intensities using atomistic dynamics simulations. Two representative types of twist GBs are studied: 5 / (001) / 36.87°and 181 / (001) / 6.03°with relatively high and low GB energies; respectively. The properties of the shocked GB region evolving with time are characterized in terms of order parameters and mean-squared displacement. In the case of 5 / (001) / 36.87°; it is found that prior to the homogeneous melting of the whole sample; continuous partial melting with considerable premelting of the shocked GB region precedes bulk melting with negligible superheating of GB; while solid state disordering may precede the partial melting. In contrast; for; 181; /; (001); 6.03°; the melting process is analogous to that of a shocked perfect crystal except that a limited superheated partial melting state occurs before homogeneous melting of the whole bicrystal. © 2012 American Institute of Physics;
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