Nanoscale defects and heterogeneous cavitation in water

Šako, Marin (author), Staniscia, Fabio (author), Netz, Roland R. (author), Schneck, Emanuel (author), Kanduč, Matej (author)

Cavitation, the formation of vapor bubbles in metastable liquids, is highly sensitive to nanoscale surface defects. Using molecular dynamics simulations and classical nucleation theory, we show that pure water confined within defect-free walls can withstand extreme negative pressures, far beyond those observed experimentally. Smooth hydrophobic surfaces trigger heterogeneous cavitation and lower the cavitation pressure magnitude, but not to experimental levels. Notably, a single nanoscopic surface defect capable of hosting a vapor bubble drastically reduces the tensile strength of water. We find that defects as small as 1–2 nm can act as effective cavitation nuclei, a scale smaller than predicted by simple mechanical stability arguments. This discrepancy arises from stochastic fluctuations of the vapor bubble, which can overcome the kinetic free-energy barrier for cavitation. Our findings show that cavitation is predominantly determined by the largest surface defect rather than the overall defect density, emphasizing the importance of eliminating the largest surface imperfections to enhance stability against cavitation.

• Language: English
• Keywords: surface nanobubbles, surface defects, cavitation, classical nucleation theory, contact angle, molecular dynamics simulation
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FMF - Faculty of Mathematics and Physics
• Publication status: Published
• Publication version: Version of Record
• Year: 2025
• Number of pages: 11 str.
• Numbering: Vol. 431, art. 127797
• PID: 20.500.12556/RUL-169463
• UDC: 532
• ISSN on article: 1873-3166
• DOI: 10.1016/j.molliq.2025.127797
• COBISS.SI-ID: 237152771
• Publication date in RUL: 29.05.2025

Record is a part of a journal

• Title: Journal of molecular liquids
• Publisher: Elsevier
• ISSN: 1873-3166
• COBISS.SI-ID: 23074821

Licences

• License: CC BY 4.0, Creative Commons Attribution 4.0 International
• Link: http://creativecommons.org/licenses/by/4.0/
• Description: This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.

Secondary language

• Language: Slovenian
• Keywords: voda, kavitacija, hidrodinamika

Projects

• Funder: ARIS - Slovenian Research and Innovation Agency
• Project number: P1-0055
• Name: Biofizika polimerov, membran, gelov, koloidov in celic

• Funder: ARIS - Slovenian Research and Innovation Agency
• Project number: J1-4382
• Name: Stabilnost bioloških tekočin pod natezno obremenitvijo