CHINESE JOURNAL OF ENERGETIC MATERIALS
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冲击作用下CL-20/HMX共晶力-热-化学耦合响应的动力学模拟
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1.湖北航天化学技术研究所, 湖北 襄阳 441003;2.航天化学动力技术重点实验室, 湖北 襄阳 441003;3.湖北航鹏化学动力科技有限责任公司, 湖北 襄阳 441003

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基金项目:

装备预先研究项目(61407200206)、基础产品科研创新项目


Simulation on Mechanic-thermal-chemical Response of CL-20/HMX Cocrystal under Shock Loading
Author:
Affiliation:

1.Hubei Institute of Aerospace Chemotechnology, Xiangyang 441003, China;2.Science and Technology on Aerospace Chemical Power Laboratory, Xiangyang 441003, China;3.Hubei Hangpeng Chemical Power Technology Co., Ltd, Xiangyang 441003, China

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    摘要:

    为分析CL-20/HMX共晶和HMX冲击波感度接近的机理,采用反应分子动力学方法(ReaxFF-MD),探讨了有无缺陷CL-20/HMX共晶在冲击加载下的力-热结构变化和初始化学反应,通过动量镜原理与最大压缩点吸收波阵面相结合方式,分析了快速结构响应和随后缓慢化学反应过程。结果表明,冲击加载无缺陷CL-20、HMX和CL-20/HMX共晶时,CL-20的分解速度比HMX快,CL-20/HMX共晶的分解速度与HMX接近;与沿CL-20/HMX共晶[111]晶向加载相比,沿[100]晶向分解更快,这与CL-20和HMX分子层的交替排布及滑移等因素有关。以2 km·s-1的质点速度沿[100]晶向冲击加载含Φ20 nm孔洞的CL-20/HMX共晶时,孔洞周围结构没有产生射流现象,而是粘塑性收缩过程。孔洞塌缩形成的高温高压条件和结构上的粘塑性变形有效促使CL-20和HMX分子发生快速分解,孔洞塌缩新热点的形成进一步增强了冲击加载过程。

    Abstract:

    In order to analyze the mechanism of shock sensitivity of CL-20/HMX cocrystal close to that of HMX, ReaxFF molecular dynamics simulation was used to investigate the mechanical-thermal structural changes and subsequent initial chemical reactions in CL-20/HMX cocrystals with or without voids. The structural deformation and subsequent chemical reaction process are effectively analyzed by using the momentum mirror model combined with shock-front absorbing boundary condition. When shocks subjected to CL-20, HMX, and CL-20/HMX, it is found that the decomposition speed of CL-20 is faster than that of HMX, while CL-20/HMX"s decomposition speed is very close to HMX"s. Besides, the decomposition speed of CL-20/HMX [100] shocks is faster than [111] shocks. This phenomenon is related to alternative arrangement of CL-20 and HMX molecular layers and the relative slip amount. When CL-20/HMX with 20 nm diameter void is shocked along the [100] direction at particle velocity of 2 km·s-1, hydrodynamic jet collapse does not occur instead of viscoplastic pore collapse. It largely promotes the rapid decomposition of CL-20 and HMX molecules in the high temperature and high pressure conditions formed by pore collapse and the viscoplastic deformation of crystal structure. A new hot spot formation from the void collapse further enhances the shock loading process.

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王宁,苏晶,关红波,等.冲击作用下CL-20/HMX共晶力-热-化学耦合响应的动力学模拟[J].含能材料,2021,29(4):315-324. DOI:10.11943/CJEM2021021.
WANG Ning, SU Jing, GUAN Hong-bo, et al. Simulation on Mechanic-thermal-chemical Response of CL-20/HMX Cocrystal under Shock Loading[J]. Chinese Journal of Energetic Materials, 2021, 29(4):315-324. DOI:10.11943/CJEM2021021.

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历史
  • 收稿日期: 2021-01-20
  • 最后修改日期: 2021-04-14
  • 录用日期: 2021-04-07
  • 在线发布日期: 2021-04-09
  • 出版日期: 2021-04-25