固液界面中热整流效应及其翻转

Reversed Thermal R ectification Effect in Solid-liquid Interface

本文基于非平衡分子动力学模拟方法,研究了固液界面体系中的热整流特性。基于固液界面对流体分子吸附效应随温度的变化特性,提出了一种固液界面热整流模型,实现了热整流现象,并模拟研究了固液界面结合强度对热整流效应的影响。结果表明,固液界面结合强度较小时,液体向固体方向的热流较大,而固液界面结合强度较大时,固体向液体方向的热流较大,因而可以实现热整流效应的翻转。

Based on the non-equilibrium molecular dynamcs simulation method(NEMD),the present paper investigated the thermal rectification effect in the solid-liquid interface system.The thermal rectification model is proposed by using the temperature-dependent adsorption effect of the fluid molecules on the solid surface.The influence of the solid-liquid interaction intensity on the thermal rectification is examined by MD simulations.It is found that the heat flux from liquid to solid is higher than that in the opposite direction for weak solid-liquid interaction strength,while the heat flux from solid to liquid can be much larger for strong solid-liquid interaction strength.Therefore,the thermal rectification effect in the solid-liquid interface can be reversed.