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不同温度下β-HMX状态方程的分子动力学模拟

Keywords: 分子动力学,β-HMX,状态方程,压缩各向异性

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Abstract:

为了研究β-HMX性能随温度的变化,用分子动力学方法对不同温度条件下β-HMX晶体进行了计算模拟.用3阶Birch-Murnaghan方程和Hugoniot关系对计算结果进行拟合得到不同温度下β-HMX的状态方程.模拟结果表明,β-HMX随温度升高而变得易于压缩,高压会抑制β-HMX的热膨胀;β-HMX晶胞参数具有压缩各向异性,这种压缩异性不随温度的改变而改变.

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