中文摘要：

本文用分子动力学模拟方法研究了近固体壁面拟有序液体边界层及其导热特性。得出分子密度沿垂直壁面方向呈衰减分布，且拟有序层内的分子运动方式接近于晶体分子。结合径向分布函数定量分析得出拟有序层的有序程度随固液耦合作用加强而增加。用G—K公式计算了拟有序层的导热系数，发现其与物件尺度、边界条件有密切关系。但在相同的边界条件下，导热系数随有序程度的增加而增加。

英文摘要：

In the present paper a study on thermal conductivity of the quasi-ordered liquid layer on a solid surface was performed by molecular dynamics simulation. It is shown that the motion of the molecules and their radial distribution functions in the quasi ordered liquid layer are similar to that of the solid molecules. By using Green-Kubo formula the thermal conductivity of the layer was calculated. The results show that it increases with the increase of the parameters of ordering. The size effect and the influence of the boundary conditions are also discussed.