利用COMPASS力场,在不同压力和温度条件下对PBX-9501粘结剂体系进行了分子动力学模拟和静态力学分析.通过研究PBX-9501粘结剂的压缩行为,获得该材料在600 K/700 K下的等温压缩线,并采用不同状态方程对结果进行拟合处理,确定方程中的参数.模拟结果表明经典Tait和Sun状态方程适用于描述PBX-9501粘结剂的等温压缩行为.通过静态力学分析,得到体系各模量和弹性系数随温度的变化,分析发现随着温度升高,材料的刚性减弱,弹性增强.
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