How caged motion in the contact layer enhances thermal tunneling across a liquid/solid interface

Abstract

Ever more powerful and densely packed chips for applications like cryptocurrency mining and artificial intelligence generate such enormous heat fluxes that designers are pivoting from gas to liquid cooling to forestall damage from thermal runaway. Even with optimal flow patterns, however, the intrinsic thermal boundary resistance at the liquid/solid (L/S) interface poses an additional source of thermal impedance. There is a lingering misconception in the field that the higher the liquid contact density, the more frequent the L/S collision rate and the smaller the thermal slip length. Here we present an insightful counterexample based on nonequilibrium molecular dynamics simulations of a simple liquid confined between two face centered cubic crystals at different temperatures aligned with the [001], [011] or [111] facet plane. Measurements of various static and dynamic quantities of the contact layer reveal the ways in which long-range order, anisotropy of the L/S potential, and correlated motion act to reduce thermal boundary resistance. Systems with the smallest thermal slip length exhibit two distinct features: 2D caged motion with stringlike alignment of liquid particles, unlike that observed in glassy systems, and larger nonergodicity parameter with shorter, not longer, caging times. This trapping and release mechanism suggests a paradigm for the design of L/S interfaces to maximize thermal exchange across a classical L/S interface. Published by the American Physical Society 2024