Thermal boundary resistance predictions with non-equilibrium Green's function and molecular dynamics simulations
Thermal boundary resistance predictions with non-equilibrium Green's function and molecular dynamics simulations
The non-equilibrium Green's function (NEGF) method with B\"uttiker probe scattering self-energies is assessed by comparing its predictions for the thermal boundary resistance with molecular dynamics (MD) simulations. For simplicity, the interface of Si/heavy-Si is considered, where heavy-Si differs from Si only in the mass value. With B\"uttiker probe scattering parameters …