Decomposition simulation of hexogen composites embedded with carbon nanotubes induced by electric field

doi:10.16568/j.0254-6086.201902013

NUCLEAR FUSION AND PLASMA PHYSICS ›› 2019, Vol. 39 ›› Issue (2): 175-180.DOI: 10.16568/j.0254-6086.201902013

• Nuclear Fusion Engineering and Technology • Previous Articles Next Articles

Decomposition simulation of hexogen composites embedded with carbon nanotubes induced by electric field

WEI Li-lai, MIAO Feng

(1. Southwest Minzu University College of Electrical & Information Engineering, Chengdu 610041; 2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065)

Online:2019-06-15 Published:2019-06-13

电场引发的嵌有碳纳米管的黑索金复合材料分解模拟

魏里来1，苗峰*1, 2

(1. 西南民族大学电气信息工程学院，成都 610041；2. 四川大学原子与分子物理研究所，成都 610065)

作者简介:魏里来(1995-)，男，四川省阆中市人，硕士研究生，从事材料物理与化学研究。
基金资助:
西南民族大学研究生创新型科研项目(CX2018SZ99)

Abstract

Abstract:

The decomposition process of energetic materials is studied using the electric field as an ignition condition. Using hexogen (RDX) single crystal structure, a composite structure model of RDX embedded in carbon nanotubes (CNTs) was constructed, and the response of the material under external electric field is simulated with reactive molecular dynamics (ReaxFF MD) simulation. The results show that the composite structure can form a reaction hot spot with CNT as the center under the uniform electric field along the CNT tube. With the growth of the hot spot, a self-issued combustion layer is formed, which can decompose the whole system.

Key words: Reactive molecular dynamics, RDX, CNT, Hot spot

摘要：

以电场作为引燃条件对含能材料的分解过程进行了研究。利用黑索金(RDX)单晶结构，构建了镶嵌有碳纳米管(CNT)的黑索金(RDX)复合结构模型，利用反应分子动力学模拟研究了该材料在外电场下的响应。结果表明构建的复合结构在方向沿CNT 的匀强电场下，能够以CNT 为中心形成反应热点；随着热点的成长，形成了自发行进的燃烧层，可以分解掉整个体系。

关键词: 反应分子动力学, 黑索金, 碳纳米管, 反应热点

CLC Number:

WEI Li-lai, MIAO Feng. Decomposition simulation of hexogen composites embedded with carbon nanotubes induced by electric field[J]. NUCLEAR FUSION AND PLASMA PHYSICS, 2019, 39(2): 175-180.

魏里来1，苗峰*1, 2. 电场引发的嵌有碳纳米管的黑索金复合材料分解模拟[J]. 核聚变与等离子体物理, 2019, 39(2): 175-180.

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Decomposition simulation of hexogen composites embedded with carbon nanotubes induced by electric field

电场引发的嵌有碳纳米管的黑索金复合材料分解模拟

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