Study on the Thermal Conductivity of HMX Explosive: Method Development and Theoretical Calculation
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摘要: 高能炸药热导率参数的计算是一个难点问题。介绍了我们发展的两种计算复杂结构炸药单晶热导率的方法:第一种方法基于运动方程,推导出了固体内较直观简洁的热流公式,可以研究不同方向HMX炸药的热导率;第二种方法基于声子-声子散射模型,结合德拜模型,计算高压下HMX炸药的热导率。两种方法各有其优缺点。利用这两种方法,计算了HMX炸药在高压下的热导率,并得到了高压下HMX热导率随压强的变化关系。Abstract: The theoretical calculation on thermal conductivity of explosive is still one problem. We presented our developed two calculation methods for thermal conductivity of explosive. The first one is based on atomic motion equation. We derived the formulations of thermal flux in system and thermal conductivity of system. It is suitable to calculate the thermal conductivity in different directions. The second one is based on the phonon-phonon dispersion model and Debye model. This method can effectively calculate the thermal conductivity under pressure. Using these two methods, we have calculated the thermal conductivity of HMX under pressure, and deeply analyzed the factors which affect the thermal conductivity of HMX.
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Key words:
- explosive /
- thermal conductivity /
- molecular dynamics /
- high pressure
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