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4 沿着垂直于(101)、(111)、(011)、(110)、(010)、(100)和(001)晶面的七个冲击方向下可能被激发的滑移系的MD模拟结果

Table 4 MD simulation results for the possible slip systems along the shock directions normal to (101), (111), (011), (110), (010), (100), and (001) planes

Shock plane Slip system τ0/GPa τbarrier/GPa T/K treaction/ps NTATB/% Sensitivity (101) {001}＜120＞ 0.179 0.753(0.813/1.033) 459 100 {001}＜110＞ 0.154 0.454(0.908/1.015) 482 100 {001}＜100＞ 0.119 0.406(1.020) 470 100 I (111) {001}＜010＞ 0.345 0.850 502 100 I {001}＜120＞ 0.36 0.905 494 8 99.92 {001}＜110＞ 0.294 0.92(0.797) 532 8 99.94 (011) {001}＜110＞ 0.216 2.017(1.052/1.171) 576 8 99.94 {001}＜120＞ 0.234 1.637(1.617/0.875) 540 100 {001}＜010＞ 0.134 0.681(0.538/0.712) 552 100 M (110) {001}＜100＞ 0.835 0.423(0.769/0.775) 617 4.1 98.76 {001}＜010＞ 0.309 0.601(0.235/0.482) 565 7.2 99.54 M {001}＜110＞ 0.398 1.797(0.899) 699 1.85 94.51 {001}＜120＞ 0.198 1.544(0.482) 615 2.30 95.19 (010) {001}＜010＞ 0.310 1.565 673 2.25 95.70 {001}＜1$\bar 2$0＞ 0.329 1.704 623 6 98.96 {001}＜1$\bar 1$0＞ 0.356 1.424 598 7.6 99.65 M (100) {001}＜110＞ 0.384 2.366 684 4.6 96.39 {001}＜120＞ 0.307 1.523 655 6.75 99.17 S (001) {001}＜120＞ 2.065 2.571 784 5.45 97.45 {001}＜010＞ 1.9 1.693(0.384) 692 5.60 98.73 S {001}＜110＞ 1.851 2.794 727 4.90 97.22