Nonequilibrium molecular dynamics simulation of the in-plane thermal conductivity of superlattices with rough interfaces

K Termentzidis and P Chantrenne and P Keblinski, PHYSICAL REVIEW B, 79, 214307 (2009).

DOI: 10.1103/PhysRevB.79.214307

We report nonequilibrium molecular dynamics study of heat transfer in binary Lennard-Jones superlattices. The influence of the characteristic height of the interface roughness and the superlattice period on the in- plane thermal conductivity is reported. We observe that in-plane thermal conductivity first decreases with an increase in the characteristic height of the roughness. For perfectly periodic roughness, it seems that the thermal conductivity exhibit a minimum value when the characteristic height of the roughness becomes comparable with the superlattice period.

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