为了揭示笼状含能材料六硝基六氮杂异伍兹烷(hexanitrohexaazaisowurtzitane,ε-CL-20)冲击感度各向异性规律,采用低梯度色散校正的反应性力场(reactive force field with low-gradient dispersion corrections,ReaxFF-lg)和分子动力学...为了揭示笼状含能材料六硝基六氮杂异伍兹烷(hexanitrohexaazaisowurtzitane,ε-CL-20)冲击感度各向异性规律,采用低梯度色散校正的反应性力场(reactive force field with low-gradient dispersion corrections,ReaxFF-lg)和分子动力学方法,分别垂直ε-CL-20的6个重要晶面(010)、(110)、(201)、(011)、(111)和(001)进行多尺度冲击加载模拟,考察体系内应力、温度以及化学反应与冲击方向的关联规律。结果表明ε-CL-20具有明显的冲击感度各向异性,6个重要晶面冲击感度强弱顺序为:(010)>(110)>(201)≈(011)>(111)>(001)。垂直于(010)晶面冲击时体系的力-热-化学响应最强、感度最高,垂直于(001)晶面冲击时体系的力-热-化学响应最弱、感度最低。以ε-CL-20不同晶面冲击响应特性为基础,总结了平面层状堆积含能材料的冲击感度各向异性规律,即当冲击方向平行于分子层时冲击感度最高,垂直于分子层时冲击感度最低。展开更多
To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying ...To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying method.The morphology,structure and thermal decomposition properties of the samples were analyzed using scanning electron microscopy(SEM),X-ray energy spectroscopy(EDS),infrared spectroscopy(FT-IR),and simultaneous thermal analyzer(TG-DSC).Additionally,the combustion process of the samples was tested using a high-speed camera.The results show that the addition of nano-Si contributes to the formation of composite explosives with regular morphology and smaller particle size.The Si/NC/CL-20 composite explosive has better and more uniform sphericity,with an average particle size of 73.4 nm,compared to the NC/CL-20 composite explosive.The Si/NC/CL-20 composite explosive which produced by the electrostatic spraying method,achieves physically uniform distribution of the components including NC,CL-20,Si.The addition of Si promotes the thermal decomposition of CL-20.In comparison to the NC/CL-20 composite explosive,the activation energy of the Si/NC/CL-20 composite explosive decreases by 16.78 kJ/mol,and the self-accelerated decomposition temperature and the critical temperature of thermal explosion decreases by 3.12 K and 2.61 K,respectively.Furthermore,Si/NC/CL-20 composite explosive has shorter ignition delay time and faster combustion rate compared to the NC/CL-20 composite explosive,which shows that Si can improve the combustion performance of CL-20.展开更多
文摘为了揭示笼状含能材料六硝基六氮杂异伍兹烷(hexanitrohexaazaisowurtzitane,ε-CL-20)冲击感度各向异性规律,采用低梯度色散校正的反应性力场(reactive force field with low-gradient dispersion corrections,ReaxFF-lg)和分子动力学方法,分别垂直ε-CL-20的6个重要晶面(010)、(110)、(201)、(011)、(111)和(001)进行多尺度冲击加载模拟,考察体系内应力、温度以及化学反应与冲击方向的关联规律。结果表明ε-CL-20具有明显的冲击感度各向异性,6个重要晶面冲击感度强弱顺序为:(010)>(110)>(201)≈(011)>(111)>(001)。垂直于(010)晶面冲击时体系的力-热-化学响应最强、感度最高,垂直于(001)晶面冲击时体系的力-热-化学响应最弱、感度最低。以ε-CL-20不同晶面冲击响应特性为基础,总结了平面层状堆积含能材料的冲击感度各向异性规律,即当冲击方向平行于分子层时冲击感度最高,垂直于分子层时冲击感度最低。
基金National Natural Science Foundation of China(No.22275150)。
文摘To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying method.The morphology,structure and thermal decomposition properties of the samples were analyzed using scanning electron microscopy(SEM),X-ray energy spectroscopy(EDS),infrared spectroscopy(FT-IR),and simultaneous thermal analyzer(TG-DSC).Additionally,the combustion process of the samples was tested using a high-speed camera.The results show that the addition of nano-Si contributes to the formation of composite explosives with regular morphology and smaller particle size.The Si/NC/CL-20 composite explosive has better and more uniform sphericity,with an average particle size of 73.4 nm,compared to the NC/CL-20 composite explosive.The Si/NC/CL-20 composite explosive which produced by the electrostatic spraying method,achieves physically uniform distribution of the components including NC,CL-20,Si.The addition of Si promotes the thermal decomposition of CL-20.In comparison to the NC/CL-20 composite explosive,the activation energy of the Si/NC/CL-20 composite explosive decreases by 16.78 kJ/mol,and the self-accelerated decomposition temperature and the critical temperature of thermal explosion decreases by 3.12 K and 2.61 K,respectively.Furthermore,Si/NC/CL-20 composite explosive has shorter ignition delay time and faster combustion rate compared to the NC/CL-20 composite explosive,which shows that Si can improve the combustion performance of CL-20.
