| MD模拟温度对TATB和TATB/F2311 PBX力学性能的影响 |
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| 引用本文： | 朱伟,肖继军,黄辉,马秀芳,李金山,肖鹤鸣.MD模拟温度对TATB和TATB/F2311 PBX力学性能的影响[J].南京理工大学学报(自然科学版),2007,31(2):243-247. |
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| 作者姓名： | 朱伟 肖继军 黄辉 马秀芳 李金山 肖鹤鸣 |
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| 作者单位： | 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 |
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| 基金项目： | 中国工程物理研究院基金
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国家自然科学基金 |
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| 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所构成的阳X,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.
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| 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 模拟温度 TATB 力学性能 影响 Mechanical Properties Effect Temperature 变化趋势 增强 弹性 刚性 温度升高 剪切模量 体积模量 拉伸模量 改善 单体炸药 结果 周期性 构成 |
| 文章编号： | 1005-9830（2007）02-0243-05 |
| 收稿时间： | 2006-02-08 |
| 修稿时间： | 2007-03-10 |
Temperature Effect on Mechanical Properties of TATB and TATB/F2311 PBX by Molecular Dynamics Simulation |
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| ZHU Wei,XIAO Ji-jun,HUANG Hui,MA Xiu-fang,LI Jin-shan,XIAO He-ming.Temperature Effect on Mechanical Properties of TATB and TATB/F2311 PBX by Molecular Dynamics Simulation[J].Journal of Nanjing University of Science and Technology(Nature Science),2007,31(2):243-247. |
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| Authors: | ZHU Wei XIAO Ji-jun HUANG Hui MA Xiu-fang LI Jin-shan XIAO He-ming |
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| Abstract: | In order to explore temperature effect on mechanical properties and binding energy of polymer-bonded explosive(PBX),a molecular dynamics method and compass force field are adopted to periodically simulate high insensitive explosive TATB(1,3,5-triamino-2,4,6-trinitrobenzene) crystal and TATB/F2311 consisted of TATB and fluorine rubber(F2311) at different temperatures.The results show that: compared with those of the pure TATB,the mechanical properties of PBX are effectively improved,and its tensile modulus,bulk modulus and shear modulus are reduced evidently.With the increase of temperature,the rigidity of PBX reduces,the elasticity enhances,and the binding energies between TATB and F2311 tend to change complicatedly. |
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| Keywords: | molecular dynamics 1 3 5-triamino-2 4 6-trinitrobenzene polymer-bonded explosive mechanical properties binding energy |
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