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DISPLACEMENT CASCADES; BOUNDARY RESISTANCE; CARBON NANOTUBE; MISMATCH MODEL; ELECTRON; CONDUCTANCE; COPPER; TEMPERATURES; SCATTERING; SUBSTRATE
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Two-Temperature Nonequilibrium Molecular Dynamics Simulation Of Thermal Transport Across Metal-Nonmetal Interfaces, Yan Wang, Xiulin Ruan, Ajit K. Roy
Two-Temperature Nonequilibrium Molecular Dynamics Simulation Of Thermal Transport Across Metal-Nonmetal Interfaces, Yan Wang, Xiulin Ruan, Ajit K. Roy
Birck and NCN Publications
We have used a two-temperature nonequilibrium molecular dynamics method for predicting interfacial thermal resistance across metal-nonmetal interfaces. This method is an extension of the conventional nonequilibrium molecular dynamics for the dielectric-dielectric interface, where a temperature bias is imposed and the heat current is derived. We have included the electron degree of freedom for the interfacial thermal transport problem by treating the electron-phonon coupling with the two-temperature model. The method is demonstrated on two model systems, that is, silicon-copper interface and carbon-nanotube-copper interface. Temperature nonequilibrium between electrons and phonons in the metal side is quantitatively predicted, and a temperature drop across …