| 含能材料HMX-2F的性能研究 |
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| 引用本文： | 马秀芳,吴玉喜,张千峰.含能材料HMX-2F的性能研究[J].安徽工业大学学报,2010,27(1):52-56. |
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| 作者姓名： | 马秀芳 吴玉喜 张千峰 |
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| 作者单位： | 安徽工业大学分子工程与应用化学研究所; |
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| 基金项目： | 教育部“新世纪优秀人才”支持计划资助项目(NCET-06-0556) |
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| 摘 要： | 用密度泛函理论对HMX-2F分子和晶体进行计算,HMX-2F与HMX相比,发现HMX-2F电子结构有所变化,具有较高撞击感度。其晶体能带结构和态密度变化较小,预示它们具有相近的电火花感度。此外,HMX-2F具有较大的能量、密度和爆轰性能,预示其是一种潜在的综合性能良好的含能材料。
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| 关 键 词： | 含能材料 环四亚甲基四硝胺 性能 密度泛函理论 |
Study on the Properties of Energetic Material HMX-2F |
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| MA Xiu-fang,WU Yu-xi,ZHANG Qian-feng.Study on the Properties of Energetic Material HMX-2F[J].Journal of Anhui University of Technology,2010,27(1):52-56. |
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| Authors: | MA Xiu-fang WU Yu-xi ZHANG Qian-feng |
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| Affiliation: | Institute of Molecular Engineering and Applied Chemistry;Anhui University of Technology;Ma'anshan 243002;China |
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| Abstract: | Density Functional Theory(DFT) was employed to calculate the molecule and crystal of HMX and HMX-2F.By comparison with HMX,the vavious electronic structure of HMX-2F is found that its sensitivity is higher than that of HMX.Their band structures and density of state(DOS) are less changed,indicating that their electric spark sensitivity are similar.In addition,HMX-2F has high energy,density and detonation property,which may suggest that it may be candidate for the good potential energetic material. |
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| Keywords: | energetic material HMX property density functional theory |
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