Thermal conductivity reduction through isotope substitution in nanomaterials: predictions from an analytical classical model and nonequilibrium molecular dynamics simulations.

We introduce an analytical model to rapidly determine the thermal conductivity reduction due to mass disorder in nanomaterials. Although this simplified classical model depends only on the masses of the different atoms, it adequately describes the changes in thermal transport as the concentrations of these atoms vary. Its predictions compare satisfactorily… CONTINUE READING