冲击载荷下TATB晶体滑移和各向异性的分子动力学研究

周婷婷,宋华杰,黄风雷

The Slip and Anisotropy of TATB Crystal under Shock Loading via Molecular Dynamics Simulation

Ting-Ting ZHOU,Hua-Jie SONG,Feng-Lei HUANG

表3 垂直于(001)晶面的冲击下潜在滑移系的MD模拟结果

Table 3 MD Simulation results for the potential slip systems along the shock direction normal to (001) plane

Shock plane Slip system τ0/GPa τbarrier/GPa T/K treaction/ps NTATB/% (001) {201}＜10$\bar 2$＞ 6.476 15.859 1860 0.85 0 {301}＜10$\bar 3$＞ 5.969 11.384 1966 0.95 0 {$\bar 1$01}＜101＞ 5.959 7.580 1413 0.90 3.61 {401}＜10$\bar 4$＞ 5.568 9.727 1801 0.95 0 {021}＜01$\bar 2$＞ 5.292 10.588 1619 0.80 0 {031}＜01$\bar 3$＞ 4.982 13.646 1591 0.85 0 {011}＜01$\bar 1$＞ 4.723 8.166 1646 1.05 0.26 {041}＜01$\bar 4$＞ 4.949 13.290 1821 0.80 0 {001}＜120＞ 2.065 2.571 784 5.45 97.45 {001}＜010＞ 1.900 1.693 692 5.60 98.73 {001}＜110＞ 1.851 2.794 727 4.90 97.22