MD simulation using COMPASS force field at NVT ensemble is carried out to investigate the mechanics properties of polymer bonded explosives (PBXs) composed of HMX and Estane5703, HTPB, PEG.

 
  • 在NPT系综下,利用COMPASS力场MD模拟,研究了HMX晶体及以HMX为基的与Estane5703、HTPB、PEG构成的PBX的力学性能。
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