Title: The effect of molecular length on the values of thermal conductivity and interfacial thermal conductance between the layers of long chain n-alkanes

Presenter: Rouzbeh Rastgar

Affiliation: Auburn University

Abstract: By utilizing equilibrium and non-equilibrium molecular dynamics simulations, thermal transport within solid, liquid and perfect crystal of long chain n-alkanes with different molecular sizes is studied. Firstly, the effect of molecular length on the thermal conductivity of n-alkanes in liquid and solid phases is investigated. Secondly, the values of thermal conductivity and the interfacial thermal conductance between the layers of the perfect crystal of n-alkanes with different molecular sizes are calculated and the dependency of the thermal conductivity values on the interfacial thermal conductance between the layers and the molecular length is studied.