Molecular Dynamics Simulation of Bubble Nucleation in Hydrophilic Nanochannels by Surface Heating

TL;DR

This study uses molecular dynamics simulations to investigate how surface hydrophilicity affects bubble nucleation in nanochannels, revealing that increased hydrophilicity delays nucleation and enhances heat dissipation capabilities.

Contribution

It demonstrates the impact of surface hydrophilicity on bubble nucleation behavior in nanochannels through detailed molecular dynamics simulations.

Findings

Increased surface hydrophilicity delays bubble nucleation.

Liquid structuring affects thermodynamic properties in nanochannels.

Hydrophilic nanochannels can dissipate higher heat fluxes.

Abstract

Bubble nucleation in liquid confined in nanochannel is studied using molecular dynamics simulations and compared against nucleation in the liquid over smooth (i.e. without confinement). Nucleation is achieved by heating part of a surface to high temperatures using a surface-to-liquid heating algorithm implemented in LAMMPS. The surface hydrophilicity of nanochannels is increased to understand its effect on nucleation behavior. Liquid structuring is found to play a significant role in altering thermodynamic properties of density and pressure in the nanochannels, which in turn changes the enthalpy of vaporization. Increased surface hydrophilicity in nanochannels results in the delay of bubble formation as more energy is required for nucleation. Thus, bubble nucleation in hydrophilic nanochannels can dissipate higher heat fluxes and can potentially be used towards the thermal management of hot spots in power electronics.