Nanoscale defects and heterogeneous cavitation in water

Bibliographic Details
Title: Nanoscale defects and heterogeneous cavitation in water
Authors: Šako, Marin, Staniscia, Fabio, Netz, Roland R., Schneck, Emanuel, Kanduč, Matej
Publication Year: 2025
Collection: Condensed Matter
Physics (Other)
Subject Terms: Condensed Matter - Soft Condensed Matter, Physics - Chemical Physics, Physics - Fluid Dynamics
More Details: 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. 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.
Comment: 10 pages, 7 figures
Document Type: Working Paper
Access URL: http://arxiv.org/abs/2501.10776
Accession Number: edsarx.2501.10776
Database: arXiv
More Details
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