Molecular dynamics simulation of heat transfer with effects of fluid–lattice interactions

The nonequilibrium molecular dynamics simulation is employed to investigate the thermal properties of fluid confined in different FCC nanochannels. The results show that fluid in different lattice channels appears diverse wetting characteristics at low temperature. Based on wall parameters, a ratio is defined to describe the fluid–lattice interaction. Wall attraction, number of absorbed particles and thermal conductivity are increased as the increase of this ratio as well as the location of particles get closer to the wall. Thermal resistance exists along with the fluid–wall interface and loses the dominant of heat transport as the system temperature gets raised. At the same time, the thermal conductivity of nanoscale experiences unconventional increase. The fluid thermal properties are influenced both by wall–fluid interaction and temperature.