Atomic simulations of dislocation emission from Cu/Cu and Co/Cu grain boundaries
Atomic simulations of dislocation emission from Cu/Cu and Co/Cu grain boundaries
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DOI：
10.1016/j.msea.2010.09.040
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发表时间：
2010-11
期刊：
影响因子：
6.4
通讯作者：
M. Yuasa;Takumi Nakazawa;M. Mabuchi
中科院分区：
文献类型：
--
作者：
M. Yuasa;Takumi Nakazawa;M. Mabuchi
对Cu/Cu单相双晶和Co/Cu两相双晶的蠕变实验进行了分子动力学模拟，研究了晶界位错发射。在Co/Cu双晶中，E结构和层错仅在边界附近的Cu晶粒中产生。在Co/Cu双晶中，位错只从层错发射，而不是从E结构发射。Co/Cu双晶中的层错不一定像Cu/Cu双晶中的层错那样容易增强位错发射。Co和Cu之间的非相干性导致了Co/Cu界面处及其附近的复杂缺陷结构，从而产生了独特的原子洗牌机制。这影响了Co/Cu双晶的位错发射行为。
Molecular dynamics simulations of creep tests have been performed on Cu/Cu single-phase bicrystals and Co/Cu two-phase bicrystals to investigate the dislocation emission from grain boundaries. In the Co/Cu bicrystals, both E structures and stacking faults were generated only in the Cu grain near the boundary. Dislocations were emitted only from the stacking faults, not from the E structures, in the Co/Cu bicrystals. The stacking faults in the Co/Cu bicrystals did not necessarily enhance the dislocation emission as readily as those in the Cu/Cu bicrystals. The incoherence between Co and Cu gave rise to the complicated defect structures at and near the Co/Cu boundary, and thus distinctive atomic shuffling mechanisms occurred. This affected the dislocation emission behavior of the Co/Cu bicrystals.