Molecular dynamics study of spontaneous capillary flow and heat transfer in nanochannels

Abstract

Passive cooling technology has become increasingly used in microelectronic devices, with capillary force being the most commonly used driving method. In this study, the capillary flow and heat transfer mechanisms and characteristics in nanochannels are studied based on molecular dynamics (MD), which have rarely been explored in previous studies. The capillary speed increases as the solid-liquid interaction intensity (εwl) increased, but when the wall is completely wetted, the capillary speed slows slightly an increasing εwl. By introducing wall slip, the Lucas-Washburn (L-W) equation is modified and a better fit is obtained. Furthermore, the effects of εwl, the temperature difference of the solid-liquid and surface nanostructure on capillary flow and heat transfer are analyzed. The increase in εwl and wall temperature enhances the capillary speed and heat transfer, but a continuous increase in the wall temperature will accelerate liquid evaporation and cause climb stagnation. The introduction of nanostructures slows the capillary speed, but can enhance the solid-liquid heat transfer. Finally, the microscopic mechanism of the above findings is analyzed by potential energy and density analyses. The reduction of the liquid potential energy at the solid-liquid interface can accelerate the capillary speed to a certain extent, but when the potential energy is too low, the liquid atoms will gather near the wall surface, blocking the capillary climbing. The expansion of the low potential energy region and the high mass density region enhances the solid-liquid heat transfer.