论文标题

表面的非平衡热力学捕获了冲击波中的能量转换

Nonequilibrium thermodynamics of surfaces captures the energy conversions in a shockwave

论文作者

Hafskjold, Bjørn, Bedeaux, Dick, Kjelstrup, Signe, Wilhelmsen, Øivnd

论文摘要

在表面的非平衡热力学(净)的框架中分析了冲击波中的局部熵产生。我们表明,尽管密集的气体缺乏全球平衡,但电击锋中的热力学状态变量等于它们的平衡值。该观察结果用于在冲击波中使用吉布斯的表面多余特性在冲击波中开发理论。将理论结果与电击阵线的熵平衡的数值评估进行了比较,并通过非平衡分子动力学(NEMD)模拟确认。净分析表明,对熵产生的主要贡献是动能和压缩能的耗散。这为冲击波中的能量转换的准确表示打开了大门。

The local entropy production in a shock wave was analysed in the framework of non-equilibrium thermodynamics (NET) of surfaces. We show that the thermodynamic state variables in the shock front are equal to their equilibrium values, despite lack of global equilibrium in the dense gas. This observation was used to develop a theory for the entropy production in a shock wave using Gibbs' surface excess properties. The theoretical results were compared with a numerical evaluation of the entropy balance for the shock front and confirmed by non-equilibrium molecular dynamics (NEMD) simulations. The NET analysis shows that the dominant contribution to the entropy production is the dissipation of kinetic and compression energy. This opens the door to accurate representations of energy conversions in shock waves.

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