Fundamental Mechanism on the Effects of Nanostructures on Energy Transfer

为了阐明纳米级结构对固体或液固界面能量传递的影响，进行了非平衡态分子动力学模拟。通过减少声子平均自由程来降低固体平均热导率的纳米结构，可以应用于通过增大界面表面积和增强界面自扩散系数等局部非平衡态来降低界面热阻的纳米结构。

The nonequilibrium molecular dynamics simulation was conducted in order to clarify the effects of the structures at the nanometer precision on the energy transfer in a solid or at a liquid-solid interface. The nanostructures which reduce the average thermal conductivity in a solid by the reduction of the phonon mean free path can be applicable for the interfacial thermal resistance reduction by the surface area enlargement and the enhancement of the local nonequilibrium state such as the change of the self-diffusion coefficients at the interface.