Spectral analysis of heat flux across a nanostructured solid diamond- liquid water interface: A nonequilibrium molecular dynamics study

JE Min and ZX Guo, THERMAL SCIENCE AND ENGINEERING PROGRESS, 44, 102068 (2023).

DOI: 10.1016/j.tsep.2023.102068

There is a pressing demand for effective cooling techniques in high heat flux devices. Two potential cooling solutions, namely capped diamond heat spreader and micro/nanofluidic cooling, show promise in high-power density electronics. This study aims to improve the interfacial thermal conductance and heat transfer between a solid diamond and the liquid water phase. To this end, the study employs a nonequilibrium molecular dynamics simulation, specifically focusing on the analysis of spectral heat flux during the interaction between water molecules and surface- patterned diamond. A nanochannel with varying depths and widths at the diamond surface was constructed, and symmetric boundary conditions were applied. High overlap in the vibrational spectrum is achieved using Tersoff potential and SPC/F water model. It was found that a nanochannel with smaller width and greater depth could increase the total heat flux transferred across the solid-liquid interface and not affect the shape of heat flux spectra. A nanochannel that is narrower and deeper has the ability to enhance the possibility of collisions between the water molecules and the diamond channel walls, resulting heat exchange augmentation.

Return to Publications page