Molecular Simulations of Thermal Transport across Iron Oxide-Hydrocarbon Interfaces.

ABSTRACT: The rational design of dielectric fluids for immersion cooling of batteries requires a molecular-level understanding of the heat flow across the battery casing/dielectric fluid interface. Here, we use nonequilibrium molecular dynamics (NEMD) simulations to quantify the interfacial thermal resistance (ITR) between hematite and poly-α-olefin (PAO), which are representative of the outer surface of the steel battery casing and a synthetic hydrocarbon dielectric fluid, respectively. After identifying the most suitable force fields to model the thermal properties of the individual components, we then compared different solid-liquid interaction potentials for the calculation of the ITR. These potentials resulted in a wide range of ITR values (4-21 K m² GW^-1), with stronger s

SUBMITTER: Carman F 

PROVIDER: S-EPMC11533160 | biostudies-literature | 2024 Oct

REPOSITORIES: biostudies-literature