热力学的分子本质及其在纳米粒子体系中的应用
Molecular Nature of Thermodynamics and its Application to Nanosize Particle Systems
摘要：
热力学起源于物质的微观性质，这一点还没有得到令人满意的解释。这项工作提出了一个公式，连接拉格朗日力学热力学。通过使用这样的配方，并遵循类似的步骤，在实验室中进行的，热容量，能量和机械响应系数，吸收和发射的热量，熵变，和热力学能量的原型水系统，作为一个说明性的例子，被发现是接近的水体积的实验结果。目前的提法是现实的。将拉格朗日力学与朗之万随机动力学联系起来，导出了热力学热力学第一定律。该公式不仅展示了时间可逆方程到时间不可逆方程的转换，以及热的分子起源，而且还揭示了研究纳米尺度系统热力学的新途径。
英文摘要：
The origins of thermodynamics from the microscopic properties of matter have not been satisfactorily accounted for. This work presents a formulation that connects Lagrangian mechanics to thermodynamics. By using such a formulation and following similar steps to those performed in the laboratory, the heat capacities, energetic and mechanical response coefficients, absorbed and emitted heats, entropy changes, and thermodynamic energies of a prototype water system, employed as an illustrative example, are found to be close to the experimental results on water bulk. The present formulation is realistic. After connecting Lagrangian mechanics to Langevin stochastic dynamics, the first law of thermodynamics is derived. The formulation not only exhibits the transformation of time-reversible equations onto time-irreversible equations, and the molecular origins of heat as well, but also reveals new pathways to investigate the thermodynamics of systems of nanometric sizes.
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