[1]朱 伟,肖继军,黄 辉,等.MD模拟温度对TATB和TATB/F_(2311) PBX力学性能的影响[J].南京理工大学学报(自然科学版),2007,(02):243-247.
 ZHU Wei,XIAO Ji-jun,HUANG HuiMA Xiu-fang,et al.Temperature Effect on Mechanical Properties of TATB and TATB/F2311 PBX by Molecular Dynamics Simulation[J].Journal of Nanjing University of Science and Technology,2007,(02):243-247.
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MD模拟温度对TATB和TATB/F_(2311) PBX力学性能的影响
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《南京理工大学学报》(自然科学版)[ISSN:1005-9830/CN:32-1397/N]

卷:
期数:
2007年02期
页码:
243-247
栏目:
出版日期:
2007-04-30

文章信息/Info

Title:
Temperature Effect on Mechanical Properties of TATB and TATB/F2311 PBX by Molecular Dynamics Simulation
作者:
朱 伟1 肖继军1 黄 辉2 马秀芳1 李金山2 肖鹤鸣1
1. 南京理工大学化工学院, 江苏南京210094; 2. 中国工程物理研究院化工材料研究所, 四川绵阳621900
Author(s):
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
关键词:
分子动力学 1 3 5-三氨基-2 4 6-三硝基苯 高聚物粘结炸药 力学性能 结合能
Keywords:
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
分类号:
TQ560.1
摘要:
为探讨高聚物粘结炸药(polymer-bonded explosive,PBX)的力学性能和结合能随温度变化的规律,该文用分子动力学(MD)方法和compass力场,在NPT系综下对钝感炸药TATB(1,3,5-三氨基-2,4,6-三硝基苯)及其与氟橡胶F2311所构成的PBX,进行不同温度下的周期性模拟。结果表明:与TATB单体炸药相比,PBX的力学性能显著改善,拉伸模量、体积模量和剪切模量均有所下降;随温度升高,PBX的刚性减小,弹性增强;结合能随温度升高呈先降后升再降的复杂变化趋势。
Abstract:
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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备注/Memo

备注/Memo:
基金项目: 中国工程物理研究院重大基金( 2004Z0503), 国家自然科学基金( 10176012, 20173028)
作者简介: 朱伟( 1977- ), 男, 江苏镇江人, 博士生, 主要研究方向: 分子动力学, E-m a il:zhuwm a i@l gm a il .com; 通讯作者: 肖鹤鸣( 1940- ), 男, 教授, 博士生导师, 主要研究方向: 应用物理化学和材料科学, E-ma il: x-i ao@ m a il .n just. edu. cn。
更新日期/Last Update: 2007-04-30