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首页> 外文期刊>Journal of Applied Physics >Continuum and molecular dynamics simulations of pore collapse in shocked β-tetramethylene tetranitramine (β-HMX) single crystals
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Continuum and molecular dynamics simulations of pore collapse in shocked β-tetramethylene tetranitramine (β-HMX) single crystals

机译：抗冲击β-四亚甲基四硝胺（β-HMX）单晶的孔隙塌陷连续核和分子动力学模拟

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摘要

The collapse of pores plays an essential role in the shock initiation of high energy (HE) materials. When these materials are subjected to shock loading, energy is localized in hot-spots due to various mechanisms, including void collapse. Depending on the void size and shock strength, the resulting hot-spots may quench or evolve into a self-sustained deflagration wave that consequently can cause detonation. We compare finite element (FE) and non-reactive molecular dynamic (MD) simulations to study the formation of hot-spots during the collapse of an 80 nm size void in a β-tetramethylene tetranitramine energetic crystal. The crystal is shocked normal to the crystallographic plane (010), applying boundary velocities of 0.5 km/s, 1.0 km/s, and 2.0 km/s. The FE simulations capture the transition from viscoelastic collapse for relatively weak shocks to a hydrodynamic regime, the overall temperature distributions, especially at scales relevant for the initiation of HE materials, and the rate of pore collapse. A detailed comparison of velocity and temperature fields shows that the MD simulations exhibit more localization of plastic deformation, which results in higher temperature spikes but localized to small volumes. The void collapse rate and temperature field are strongly dependent on the plasticity model in the FE results, and we quantify these effects.
机译：毛孔的崩溃在高能量（HE）材料的冲击开始中起着重要作用。当这些材料经受冲击载荷时，由于各种机制，能量在热点中定位，包括空隙塌陷。取决于空隙尺寸和冲击强度，所得到的热点可以淬火或进化到自我持续的缺陷波中，从而导致爆炸。我们比较有限元（Fe）和非反应性分子动态（MD）模拟，以研究在β-四亚甲基四硝胺能量晶体中80nm尺寸空隙的塌陷期间形成热点。将晶体震动到晶体平面（010），施加0.5 km / s，1.0 km / s和2.0km / s的边界速度。 FE模拟捕获从粘弹性塌陷的过渡，以进行相对较弱的冲击对流体动力学制度，整体温度分布，特别是在对其材料开始的尺度上，以及孔隙塌陷率。速度和温度场的详细比较表明，MD仿真表现出塑性变形的更多定位，这导致较高的温度尖峰，但局部化为小体积。空隙坍塌速率和温度场强烈依赖于Fe结果中的可塑性模型，我们量化了这些效果。

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  • 来源
    《Journal of Applied Physics》 |2021年第1期|015904.1-015904.15|共15页
  • 作者

    Camilo A. Duarte; Chunyu Li; Brenden W. Hamilton; Alejandro Strachan; Marisol Koslowski;

  • 作者单位

    School of Mechanical Engineering Purdue University West Lafayette Indiana 47906 USA;

    School of Materials Engineering Purdue University West Lafayette Indiana 47906 USA;

    School of Materials Engineering Purdue University West Lafayette Indiana 47906 USA;

    School of Materials Engineering Purdue University West Lafayette Indiana 47906 USA;

    School of Mechanical Engineering Purdue University West Lafayette Indiana 47906 USA;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
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