Nanoscale defects and heterogeneous cavitation in water

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

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.

• Jezik: Angleški jezik
• Ključne besede: surface nanobubbles, surface defects, cavitation, classical nucleation theory, contact angle, molecular dynamics simulation
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FMF - Fakulteta za matematiko in fiziko
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2025
• Št. strani: 11 str.
• Številčenje: Vol. 431, art. 127797
• PID: 20.500.12556/RUL-169463
• UDK: 532
• ISSN pri članku: 1873-3166
• DOI: 10.1016/j.molliq.2025.127797
• COBISS.SI-ID: 237152771
• Datum objave v RUL: 29.05.2025

Gradivo je del revije

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

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: voda, kavitacija, hidrodinamika

Projekti

• Financer: ARIS - Javna agencija za znanstvenoraziskovalno in inovacijsko dejavnost Republike Slovenije
• Številka projekta: P1-0055
• Naslov: Biofizika polimerov, membran, gelov, koloidov in celic

• Financer: ARIS - Javna agencija za znanstvenoraziskovalno in inovacijsko dejavnost Republike Slovenije
• Številka projekta: J1-4382
• Naslov: Stabilnost bioloških tekočin pod natezno obremenitvijo