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含能材料  2005 

固体炸药起爆的经典分子动力学研究进展

Keywords: 物理化学,分子动力学,固体炸药,冲击起爆,综述

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Abstract:

现代高性能计算机上所进行的包含几百万个原子的分子动力学模拟,能够在原子尺度提供对于含能材料中爆轰过程的直观理解,本文综述应用经典分子动力学方法研究固体炸药冲击起爆问题的历史及现状。首先简要回顾分子动力学方法的发展;然后重点介绍应用这一方法研究固体炸药起爆问题的三个主要方面——固体炸药的冲击起爆机理、爆轰波的性质与能量转换机制、固体炸药的势函数;最后对固体炸药冲击起爆的分子动力学研究所面临的问题及其发展趋势进行了探讨:由于过于理想化的含能材料模型以及计算能力不足这两方面的限制,在可预见的未来,固体炸药起爆的经典分子动力学研究主要保持在建立模型以及定性研究的阶段。

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