MD simulations to evaluate the influence of applied normal stress or deformation on defect production rate and size distribution of clusters in cascade process for pure Cu
MD simulations to evaluate the influence of applied normal stress or deformation on defect production rate and size distribution of clusters in cascade process for pure Cu
复制标题
DOI：
10.1016/j.jnucmat.2011.03.056
复制
发表时间：
2011-08
影响因子：
3.1
通讯作者：
S. Miyashiro;S. Fujita;T. Okita
中科院分区：
文献类型：
--
作者：
S. Miyashiro;S. Fujita;T. Okita
采用分子动力学方法评估了应力对级联中缺陷产生率和缺陷簇尺寸分布的影响。通过向细胞施加单轴、静水压和等长应变来施加应力。对于单轴情况，应变在-1% 和1% 之间变化。在单轴拉应力下，甚至在单轴压应力下，级联缺陷产生率显着增加。在等长应变下观察到缺陷产生率的最大增加，而在静压应变下则没有那么多。这些结果表明变形各向异性是增加缺陷产生率的关键因素。还发现，在缺陷产生率较高的应变条件下，会形成较大的缺陷簇。
The stress influence on the defect production rate and size distribution of defect clusters in cascades was evaluated by molecular dynamics method. Stress was applied by exerting uni-axial, hydrostatic and isometric strain into the cell. For the uni-axial case, strain was varied between −1% and 1%. Defect production rate in cascade increased significantly under uni-axial tensile stress, and even under uni-axial compressive one. The largest increase of defect production rate was observed under isometric strain, and not so much under hydrostatic one. These results indicate that deformation anisotropy is a key factor to increase defect production rate. It was also found that larger defect clusters were formed under the strain condition in which defect production rate is higher.