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Nanoscale Surface Effects on Heterogeneous Vapour Bubble Nucleation [software] Open Access

Understanding the mechanisms underlying vapour bubble nucleation on solid surfaces is critical for multiple scientific and engineering applications such as two-phase thermal management systems and turbomachinery, among others. While classical nucleation theory (CNT) explains how surface wettability influences nucleation by modifying the free energy barrier for smooth surfaces, the interplay between nanoscale surface roughness and wettability for rough surfaces remains less clear. Using molecular dynamics simulations, this study demonstrates for the first time that CNT can accurately describe wettability effects on nucleation. Additionally, we show how surface cavities can create active nucleation sites without requiring trapped gases. This occurs through spontaneous dewetting of cavities at elevated temperatures, which reduces the nucleation barrier. Our results reveal that cavity induced nucleation enhancement depends on both wettability and geometry, with dewetting promoting nucleation on lyophobic surfaces and rewetting neutralizing this effect for more more lyophilic surfaces. These findings provide insights for designing surfaces to either enhance or suppress bubble nucleation.

Descriptions

Resource type

Software

Contributors

Creator: Sullivan, Patrick ¹
Dockar, Duncan ²
Pillai, Rohit ²

¹ Durham University, UK
² University of Edinburgh, UK

Funder

Engineering and Physical Sciences Research Council
Royal Academy of Engineering

Research methods

Other description

Simulation files used to produce the data presented in Nanoscale Surface Effects on Heterogeneous Vapour Bubble Nucleation (DOI: 10.1063/5.0259208)

Keyword

LAMMPS
Molecular Dynamics
Nucleation
Large-scale Atomic/Molecular Massively Parallel Simulator

Subject

Nucleation
Bubbles

Location

Language

Cited in

doi:10.1063/5.0259208

Identifier

ark:/32150/r1mc87pq34z
doi:10.15128/r1mc87pq34z

Rights

Creative Commons Attribution 4.0 International (CC BY)

Publisher

Durham University

Date Created

File Details

Depositor

P.J. Sullivan

Date Uploaded

22 April 2025, 11:04:23

Date Modified

24 April 2025, 08:04:11

Audit Status

Audits have not yet been run on this file.

Characterization

File format: zip (ZIP Format)

Mime type: application/zip

File size: 153534

Last modified: 2025:04:22 12:09:42+01:00

Filename: SimulationFiles.zip

Original checksum: 8a05580c24cb5a766b2cd8456132f027