Molecular dynamics simulations of heat and momentum transfer at a solid–fluid interface: Relationship between thermal and velocity slip

Abstract: The thermal resistance of a model solid–liquid interface in the presence of laminar shear flow is investigated using molecular dynamics simulations. Two model liquids – a monoatomic liquid and a polymeric liquid composed of 20 repeat units – are confined between walls which are modeled as idealized lattice surfaces composed of atoms identical to the monomers. We find that in the absence of a velocity slip (discontinuity) at the solid–fluid interface, the mass flow does not affect the thermal interfacial resistance, but the presence of velocity slip results in an increase in the interfacial thermal resistance by about a factor of two. [Copyright &y& Elsevier]