An atomistic model for the thermal resistance of a liquid-solid interface

TL;DR

This paper develops an atomistic model to quantify the thermal resistance at liquid-solid interfaces, validated through molecular dynamics simulations, enhancing understanding of heat transfer at microscopic levels.

Contribution

It introduces a new atomistic-level model for thermal resistance at liquid-solid interfaces, validated with molecular dynamics, providing detailed insights into heat transport mechanisms.

Findings

The model accurately predicts thermal resistance based on atomistic parameters.

Molecular dynamics simulations confirm the model's validity.

Factors influencing heat transfer are quantitatively elucidated.

Abstract

The thermal resistance associated with the interface between a solid and a liquid is analyzed from an atomistic point of view. Partial evaluation of the associated Green-Kubo integral elucidates the various factors governing heat transport across the interface and leads to a quantitative model for the thermal resistance in terms of atomistic-level system parameters. The model is validated using molecular dynamics simulations.