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A multiscale model for bubble nucleation thresholds on solid walls in the presence of nanometre-sized defects

Published online by Cambridge University Press:  21 July 2025

Changsheng Chen Open the ORCID record for Changsheng Chen [Opens in a new window] ,
Yawen Gao Open the ORCID record for Yawen Gao [Opens in a new window] ,
Feng Wang Open the ORCID record for Feng Wang [Opens in a new window]  and
Chao Sun Open the ORCID record for Chao Sun [Opens in a new window]
Changsheng Chen
Affiliation:
New Cornerstone Science Laboratory, Center for Combustion Energy, Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, 100084 Beijing, PR China
Yawen Gao
Affiliation:
New Cornerstone Science Laboratory, Center for Combustion Energy, Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, 100084 Beijing, PR China
Feng Wang
Affiliation:
New Cornerstone Science Laboratory, Center for Combustion Energy, Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, 100084 Beijing, PR China
Chao Sun*
Affiliation:
New Cornerstone Science Laboratory, Center for Combustion Energy, Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Energy and Power Engineering, Tsinghua University, 100084 Beijing, PR China Department of Engineering Mechanics, School of Aerospace Engineering, Tsinghua University, Beijing 100084, PR China
*
Corresponding author: Chao Sun, chaosun@tsinghua.edu.cn
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Abstract

The nucleation of bubbles on rough substrates has been widely investigated in various applications such as electrolysis processes and fluid transportation in pipelines. However, the microscopic mechanisms underlying surface bubble nucleation are not fully understood. Using molecular dynamics simulations, we evaluate the probability of surface bubble nucleation, quantified by the magnitude of the nucleation threshold. Bubble nucleation preferentially occurs at the solid interfaces containing nanoscale defects or wells (nanowells), where reduced nucleation thresholds are observed. For the gas-entrapped nanowell, as the nanowell width decreases, the threshold of bubble nucleation around the nanowell gradually increases, eventually approaching a critical value close to that of a smooth surface. This results from a decrease in the amount of entrapped gas that promotes bubble nucleation, and the entrapped gas eventually converges to a critical state as the width decreases. For the liquid-filled nanowell, bubble nucleation initiates from the inner corner of the large nanowell. As the nanowell width decreases, the threshold is first kept constant and then decreases. This results from a decrease in the amount of filled liquid that inhibits bubble nucleation and from the enhanced confinement effect of the inner wall on the filled liquid as the width decreases. In this work, we propose a multiscale model integrating classical nucleation theory, van der Waals fluid theory and statistical mechanics to describe the relationship between nucleation threshold and nanowell width. Eventually, a unified phase diagram of bubble nucleation at the rough interface is summarised, offering fundamental insights for integrated system design.

JFM classification

Drops and Bubbles: Cavitation

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JFM Papers
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Journal of Fluid Mechanics , Volume 1015 , 25 July 2025 , A47
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© The Author(s), 2025. Published by Cambridge University Press

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