A Molecular Dynamics Study on Effects of Nanostructural Clearances at an Interface on Thermal Resistance
A Molecular Dynamics Study on Effects of Nanostructural Clearances at an Interface on Thermal Resistance
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DOI：
10.1115/mnht2008-52276
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
M. Shibahara;Kosuke Inoue;K. Kobayashi
中科院分区：
文献类型：
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作者：
M. Shibahara;Kosuke Inoue;K. Kobayashi
采用经典分子动力学模拟方法研究了纳米尺度结构间隙对液固界面热阻的影响。计算系统采用了固体壁面之间的液体分子区，其粒间势为Lennard-Jones型。固体壁由三个原子层组成，其中中间层的温度由朗之万方法控制。利用朗之万方法对作用在温控原子上的力进行积分，数值计算了系统中的热通量。数值计算了固体壁面与液体分子区之间的温度跃变。在纳米尺度下，通过改变表面结构间隙数值计算了液固界面热阻。温度梯度和液体密度作为计算参数也被改变。随着表面结构间隙在0 ~ 2.5nm范围内的变化，界面热阻一度减小，当结构间隙在0.6 ~ 1.0nm范围内时，界面热阻达到最小值。当结构间隙大于1.0nm时，固液界面热阻增大。随着液体密度的增加，无论温度梯度和纳米尺度的表面结构如何，固液间的热阻都显著减小。Copyright © 2008 by ASME
The classical molecular dynamics simulation was conducted in order to clarify the effects of structural clearances in nanometer scale on thermal resistance at a liquid-solid interface. A liquid molecular region confined between the solid walls, of which the interparticle potential was Lennard-Jones type, was employed as a calculation system. The solid walls consisted of three atomic layers where the temperature of the middle layer was controlled by the Langevin method. Heat flux in the system was calculated numerically by integrating the forces that acted on the temperature controlled atoms by the Langevin method. The temperature jump between the solid wall and the liquid molecular region was calculated numerically. The thermal resistance at a liquid-solid interface was calculated numerically with changing the surface structural clearances in nanometer scale. Temperature gradient and liquid density were also changed as calculation parameters. With changing the surface structural clearances from 0nm to 2.5nm the thermal resistance at the interface once decreased and became the minimum value when the structural clearances were between 0.6 to 1.0 nm. The thermal resistance between the solid and the liquid increased when the structural clearances were more than 1.0nm. With the increase of the liquid density the thermal resistance between the solid and the liquid substantially decreased regardless of the temperature gradient and the surface structures in nanometer scale.Copyright © 2008 by ASME