Atomistic characterization of stochastic cavitation of a binary metallic liquid under negative pressure
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Authors
An, Qi
Garrett, Glenn
Samwer, Konrad
Liu, Yi
Zybin, Sergey V.
Luo, Sheng-Nian
Demetriou, Marios D.
Johnson, William L.
Goddard III, William A.
Issue Date
2011
Type
Citation
Language
Keywords
activation volume , cavitation , CNT , stochastic , tolman
Alternative Title
Abstract
We demonstrate the stochastic nature of cavitation in a binary metallic liquid Cu46Zr54 during hydrostatic expansion by employing molecular dynamics (MD) simulations using a quantum mechanics (QM)-derived potential. The activation volume is obtained from MD simulations and transition-state theory. Extrapolation of the pressure dependence of the activation volume from our MD simulations to low tensile pressure agrees remarkably with macroscale cavitation experiments. We find that classical nucleation theory can predict the cavitation rate if we incorporate the Tolman length derived from the MD simulations.
Description
Citation
Publisher
American Chemical Society
License
In Copyright
Journal
Volume
Issue
PubMed ID
ISSN
1948-7185