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

A Rajabpour and S Volz, JOURNAL OF APPLIED PHYSICS, 108, 094324 (2010).

DOI: 10.1063/1.3500526

We derive the mode spectrum of the thermal boundary resistance between two bodies having a temperature difference Delta T. A general expression of the time iota that defines the resistance is derived as the equilibrium autocorrelation of Delta T 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. (C) 2010 American Institute of Physics. doi:10.1063/1.3500526

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