Thermal boundary resistance from mode energy relaxation times: Case study of argon-like crystals by molecular dynamics.

We derive the mode spectrum of the thermal boundary resistance between two bodies having a temperature difference ΔT. A general expression of the time τ that defines the resistance is derived as the equilibrium autocorrelation of ΔT integrated over time. A further decomposition of this autocorrelation yields the resistance spectrum as equal to the mode relaxation time weighted by its energy mean square fluctuation. We then perform molecular dynamics simulations of argon like crystals in equilibrium and nonequilibrium regimes to prove the relevance of our model. This general method allows for deriving the resistance spectrum and therefore can yield key rules to control the exchanged heat flux. [ABSTRACT FROM AUTHOR]