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1 各冲击方向的压缩量和NVT-MD优化后压缩体系的应力张量

Table 1 Compression rate for each shock direction and stress tensor for compressed systems after NVT-MD optimization

Shock plane Compression rate/% p/GPa pxx/GPa pyy/GPa pzz/GPa pxy/GPa pxz/GPa pyz/GPa (101) 15 9.136 12.116 7.402 7.889 -0.668 -1.507 0.748 (111) 16 9.056 12.418 6.571 8.179 2.250 -3.276 -1.555 (011) 15 10.681 9.248 11.313 11.482 2.592 -0.310 -1.021 (110) 14 10.720 13.131 8.042 10.986 3.225 -1.264 -0.980 (010) 13 9.840 9.452 9.776 10.292 3.192 -1.164 -1.465 (100) 15 9.558 12.155 7.323 9.197 -0.689 -0.096 1.271 (001) 18 9.910 5.516 6.859 17.354 1.377 2.199 2.137