MOLECULAR DYNAMICS SIMULATION OF THERMAL CONDUCTION IN NANOPOROUS THIN FILMS

Molecular dynamics simulations of thermal conduction in nanoporous thin films are performed. Thermal conductivity displays an inverse temperature dependence for films with small pores and a much less pronounced dependence for larger pores. Increasing porosity reduces thermal conductivity, while pore shape has little effect except in the most anisotropic cases. The pores separate the film into local regions with distinctly different temperature profiles and thermal conductivities, and the effective film thermal conductivity is lowest when the pores are positioned in the center of the film. Such tunability by pore placement highlights new possibilities for engineering nanoscale thermal transport.