| 1 | 含能材料量子化学计算方法综述显示文摘概述了量子化学基础理论,详细综述了含能材料关键参数(密度、生成热、爆热、爆速、爆压和撞击感度)的计算方法,并比较这些方法的特点和适用范围。介绍了CHEET A、EXPLO5等计算软件在含能材料领域的应用。最后,为满足新一代材料高能稳定与绿色环保的综合要求,设计了20种新型高氮含能分子,运用上述量子化学方法估算了其物化和含能性质,并提出了新型含能化合物的设计原则:(1)高氮分子骨架;(2)零氧平衡;(3)基团调节修饰,以期促进含能材料的发展。附参考文献76篇。 | 何飘 杨俊清 李彤 张建国 | 2018 | 含能材料2018，26，1： | 9 |
| 2 | The effect of wax coating,aluminum and ammonium perchlorate on impact sensitivity of HMX显示文摘Interaction of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX)/ammonium perchlorate(AP) and its effect on mechanical sensitivity may result in some restrictions for the application of AP/HMX system in high energetic weapon system. In this work, impact sensitivity test is used to study the effects of wax coating of HMX, AP and aluminum(Al) powder on sensitivity properties of HMX/AP/Al mixtures.Thermogravimetry-differential scanning calorimetry(TG-DSC) analysis has been developed to investigate the mechanism of interaction between HMX and AP during the course of thermal decomposition of HMX/AP/AI mixtures. The results show that severe interaction effect exists between AP and HMX, which causes the impact sensitivity(H_(50)) to become smaller. The impact energy(E_(50)) of mixture can be improved under the circumstances of effective separating HMX from AP by surface coating with Wax. AP may firstly engender low-temperature decomposition under the circumstance of external heat or mechanical impact, which causes the exothermic peak of HMX forward shift about 28 C. The gaseous product releasing from thermal decomposition of HMX accelerates further decomposition of AP. For HMX/AP composite system, the interactive catalysis effect between AP and HMX can be eliminated mostly by adding a great deal of Al powder(i.e. above 30%). | Yu-bin LI Li-ping PAN Zhi-jian YANG Fei-yan GONG Xue ZHENG Guan-song HE | 2017 | Defence Technology(防务技术)2017，13，6： | 8 |
| 3 | Crystal lattice free volume in a study of initiation reactivity of nitramines:Impact sensitivity显示文摘More detailed analysis of a mutual relationship of impact sensitivity(detected by sound) and crystal lattice free volume, △V, for the 18 nitramines shows that its course is not unequivocal. For a part of the studied compounds this sensitivity has increased with increase of the AV values, but for fairly big number of nitramines the relationship works in the opposite direction, especially for data of 1,3,5-trinitro-1,3,5-triazinane, 1,3,5,7-tetranitro-1,3,5,7-tetrazocane. and β-and ε-polymorphs of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane. Initiation reactivity of technical ε-polymorph of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane gives the impression by disorderliness in distribution of the actions of forces in its crystal lattice in comparison with its RS(reduced sensitivity) or chemically pure analogue. Limitations of partial shapes of the mentioned relationship by the molecular-structural similarity, and already published information about the decisive factors governing the crystal structure, signalizes a higher influence of the intermolecular interactions in a crystal lattice in comparison with influence of the crystal lattice free volume for initiation of the crystalline EMs. | Svatopluk Zeman Ning Liu Marcela Jungová Ahmed K. Hussein Qi-Long Yan | 2018 | Defence Technology(防务技术)2018，14，2： | 5 |
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