抄録
In this paper, thermal conductivity of liquid n-alkanes in the vicinity of three crystal planes of a-quartz substrate terminated with H and OH-groups have been investigated using nonequilibrium molecular dynamics simulations. Methane and decane molecules are considered as alkane molecules in this study. It is found that the thermal conductivity fluctuates in an oscillating manner in the solid-liquid interface region. These fluctuations are typically in proportion to the oscillations in the density profile.
