| TATB和TATB/F2311力学性能的MD模拟 |
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| 引用本文： | 朱伟 肖继军 马秀芳 于艳春 肖鹤鸣. TATB和TATB/F2311力学性能的MD模拟[J]. 淮海工学院学报, 2005, 14(4): 38-41 |
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| 作者姓名： | 朱伟 肖继军 马秀芳 于艳春 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]淮海工学院化学工程系,江苏连云港222005 |
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| 基金项目： | 国家自然科学基金资助项目（10176012和20173028） |
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| 摘 要： | 用分子动力学（MD）方法，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）所构成的高聚物粘结炸药（PBX），在COMPASS力场中进行周期性模拟计算，求得其弹性系数、模量和泊松比，发现在TATB中添加少量氟橡胶（F2311）能有效改善其力学性能。
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| 关 键 词： | TATB 高聚物粘结炸药 力学性能 分子动力学 |
| 文章编号： | 1672-6685(2005)04-0038-04 |
| 收稿时间： | 2005-06-30 |
| 修稿时间： | 2005-11-10 |
Molecular Dynamics Simulation of the Mechanical Properties of TATB and TATB/F2311 |
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| ZHU Wei , XIAO Ji-jun , MA Xiu-fang , YU Yan-chun, XIAO He-ming. Molecular Dynamics Simulation of the Mechanical Properties of TATB and TATB/F2311[J]. Journal of Huaihai Institute of Technology:Natural Sciences Edition, 2005, 14(4): 38-41 |
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| Authors: | ZHU Wei XIAO Ji-jun MA Xiu-fang YU Yan-chun XIAO He-ming |
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| Abstract: | The mechanical properties of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) crystal and TATB/F2311,which consists of the famous high insensitive explosive TATB crystal and fluorine rubber (F2311), have been simulated by molecular dynamics (MD). Elastic coefficients and some effective isotropic elastic constants, such as tensile module, bulk module, shear module and the Poisson's ratio were determined at room temperature and pressure. Results show that the mechanical properties of TATB can be effectively improved by the addition of a little amount of fluorine rubber (F2311). |
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| Keywords: | TATB polymer bonded explosive mechanical properties molecular dynamics |
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