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。