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Temperature Effect on Mechanical Properties of TATB and TATB/F2311 PBX by Molecular Dynamics Simulation


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Temperature Effect on Mechanical Properties of TATB and TATB/F2311 PBX by Molecular Dynamics Simulation
ZHU Wei1XIAO Ji-jun1HUANG Hui2MA Xiu-fang1LI Jin-shan2XIAO He-ming1
1.School of Chemical Engineering,NUST,Nanjing 210094,China;2.Institute of Chemical Materials,China Academy of Engineering Physics,Mianyang 621900,China
molecular dynam ics 1 3 5-triam ino-2 4 6-trin itrobenzene po lymer-bonded exp losive mechan ica l propert ies b inding energy
In o rder to explore temperature effect onmechan ica l properties and b inding energy of po-l ymer-bonded explosive ( PBX) , amo lecular dynam ics m ethod and compass fo rce field are adopted to period ica lly simu la te high insensit ive exp losive TATB ( 1, 3, 5-tr iam ino-2, 4, 6-tr initrobenzene) crysta l and TATB /F2311 consisted o fTATB and fluorine rubber ( F2311 ) at d ifferent temperatures. The resu lts show tha:t compared w ith those o f the pure TATB, themechanical propert ies o f PBX are e-f fect ively improved, and its tensilemodulus, bu lkmodulus and shearmodulus are reduced ev idently. W ith the increase o f temperature, the rig id ity o f PBX reduces, the elastic ity enhances, and the b inding energ ies betw een TATB and F2311 tend to change complicatedly.


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Last Update: 2007-04-30