拉伸加载下PBX炸药力学性能的分子动力学模拟

高飞艳 刘睿 陈鹏万 龙瑶 陈军

高飞艳, 刘睿, 陈鹏万, 龙瑶, 陈军. 拉伸加载下PBX炸药力学性能的分子动力学模拟[J]. 高压物理学报, 2022, 36(4): 044201. doi: 10.11858/gywlxb.20220521
引用本文: 高飞艳, 刘睿, 陈鹏万, 龙瑶, 陈军. 拉伸加载下PBX炸药力学性能的分子动力学模拟[J]. 高压物理学报, 2022, 36(4): 044201. doi: 10.11858/gywlxb.20220521
GAO Feiyan, LIU Rui, CHEN Pengwan, LONG Yao, CHEN Jun. Molecular Dynamics Simulation of Mechanical Properties of Polymer Bonded Explosive under Tension Loading[J]. Chinese Journal of High Pressure Physics, 2022, 36(4): 044201. doi: 10.11858/gywlxb.20220521
Citation: GAO Feiyan, LIU Rui, CHEN Pengwan, LONG Yao, CHEN Jun. Molecular Dynamics Simulation of Mechanical Properties of Polymer Bonded Explosive under Tension Loading[J]. Chinese Journal of High Pressure Physics, 2022, 36(4): 044201. doi: 10.11858/gywlxb.20220521

拉伸加载下PBX炸药力学性能的分子动力学模拟

doi: 10.11858/gywlxb.20220521
基金项目: 国家自然科学基金(U1730244)
详细信息
    作者简介:

    高飞艳(1998—),女,硕士研究生,主要从事计算物理研究. E-mail:3120190129@bit.edu.cn

    通讯作者:

    陈鹏万(1971—),男,博士,教授,主要从事含能材料研究. E-mail:pwchen@bit.edu.cn

    陈 军(1969—),男,博士,研究员,主要从事计算物理研究. E-mail:jun_chen@iapcm.ac.cn

  • 中图分类号: O521.2; O347

Molecular Dynamics Simulation of Mechanical Properties of Polymer Bonded Explosive under Tension Loading

  • 摘要: 采用分子动力学方法研究了拉伸加载下HMX基PBX界面力学行为的应变率依赖性。模拟结果显示,PBX的拉伸强度和弹性模量随着应变率的增加而增大。HMX-F2311的断裂方式与应变率相关:初始应变主要集中于黏结剂F2311,在低应变率下形成了一条大致垂直于加载方向的主裂纹;随着拉伸应变率的增加,破坏路径将分布在整个模型上;PBX的断裂失效是由于黏结剂F2311的脱粘。在单轴拉伸加载过程中,HMX-F2311的势能随拉伸应变率的增加而迅速增大,尤其在高应变率拉伸加载下,范德华力相互作用对势能的演变起到了决定性作用。分子动力学模拟揭示了应变率对HMX-F2311界面微观结构、力学行为和断裂损伤机制的影响,对PBX的设计、制备和安全使用具有重要意义。

     

  • 图  HMX-F2311界面的初始模型(a)以及优化后HMX-F2311界面的稳定结构(b)

    Figure  1.  Initial model of HMX-F2311 interface (a) and the stable structure of HMX-F2311 interface after optimization (b)

    图  优化过程中压力和能量随时间的变化

    Figure  2.  Pressure and energy fluctuations vs. time during optimization

    图  HMX-F2311在不同应变率下的应力-应变曲线 (a)以及拉伸强度 (b) 和弹性模量 (c) 与对数应变率的关系

    Figure  3.  (a) Stress-strain curves of HMX-F2311 under different tension loading; (b) tension strength vs. logarithmic strain rate; (c) elastic modulus vs. logarithmic strain rate

    图  不同拉伸加载应变率下HMX-F2311界面在x方向的应变分布

    Figure  4.  Distribution of strain field in the x direction of HMX-F2311 interface under different tension strain rates

    图  不同拉伸应变率下HMX-F2311界面在x方向的应变分布

    Figure  5.  Distribution of strain field in the x direction of HMX-F2311 interface under different tension strain rates

    图  不同应变率下总势能随应变的变化

    Figure  6.  Variations of potential energy with stain under different strain rates

    图  不同应变率下各个势能分项随应变的变化

    Figure  7.  Variations of each energy sub-item of potential energy with strain under different strain rates

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出版历程
  • 收稿日期:  2022-02-25
  • 修回日期:  2022-04-01
  • 网络出版日期:  2022-05-26
  • 刊出日期:  2022-07-28

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