激波能量耗散的化学反应中尺度模拟
Mesoscale simulations of shockwave energy dissipation via chemical reactions
摘要：
我们使用基于粒子的中尺度模型，结合在粗粒度水平的化学反应，以研究在冲击波加载条件下进行体积减少化学反应的材料的响应。我们发现，这样的化学反应可以衰减冲击波和表征的化学模型的参数如何影响这种行为。模拟结果表明，体积塌陷的大小和化学传播的速度对减弱冲击至关重要，而反应中的能量学只起次要作用。冲击载荷导致材料远离局部平衡的瞬态，有趣的是，化学反应可以在这种非平衡态下成核。因此，材料中各种自由度之间平衡的时间尺度影响冲击诱导的化学反应及其衰减传播冲击的能力。
英文摘要：
We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reactions under shockwave-loading conditions. We find that such chemical reactions can attenuate the shockwave and characterize how the parameters of the chemical model affect this behavior. The simulations show that the magnitude of the volume collapse and velocity at which the chemistry propagates are critical to weaken the shock, whereas the energetics in the reactions play only a minor role. Shock loading results in transient states where the material is away from local equilibrium and, interestingly, chemical reactions can nucleate under such non-equilibrium states. Thus, the timescales for equilibration between the various degrees of freedom in the material affect the shock-induced chemistry and its ability to attenuate the propagating shock.
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