Molecular Dynamics Study: Correlation of Heat Conduction Across S-L Interfaces Between Constant Heat Flux and Shear Applied to Liquid Systems

Abstract

Heat conduction (HC) at solid-liquid (S-L) interfaces play a significant role in the performance of engineering systems. Thus, this study investigates HC at S-L interfaces and its correlation between constant heat flux (CHF) and shear applied to liquid (SAL) systems using non-equilibrium molecular dynamics simulation. The S-L interface consists of solids with the face-centred cubic (FCC) lattice of (110), (111) and (100) planes facing the liquid. The solid is modelled by Morse potential whereas the liquid is modelled by Lennard Jones potential. The interaction between solid-liquid was modelled by Lorentz-Bertholet combining rules. The temperature and heat flux of the system is evaluated to correlate the HC at the S-L interface which reflect by the interfacial thermal resistance (ITR). The results suggest that the surfaces of FCC influence ITR at the S-L interface. The (110) surface for both cases of CHF and SAL has the lowest ITR as compared to other surfaces. In general, ITR for the case of SAL is higher than the CHF. SAL disturbs the adsorption behaviour of liquid at the S-L interfaces, thus reducing the HC. In conclusion, the surface of FCC and liquid experiencing shear do influence the characteristics of HC at the S-L interface.