Published June 2, 2011
| public
Journal Article
Atomistic Characterization of Stochastic Cavitation of a Binary Metallic Liquid under Negative Pressure
Abstract
We demonstrate the stochastic nature of cavitation in a binary metallic liquid Cu_(46)Zr_(54) 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.
Additional Information
© 2011 American Chemical Society. Received: March 15, 2011 Accepted: May 12, 2011. Published in issue June 02, 2011. Article ASAP May 16, 2011. Just accepted manuscript May 12, 2011. Q.A., W.A.G., G.G., and W.L.J. would like to thank NSF DMR-0520565 Caltech CSEM for support. K.S. is grateful for support by the DFG via the SFB 602 and the Leibniz-Program. S.N.L. is supported by the ASC program at LANL.Additional details
- Eprint ID
- 24212
- Resolver ID
- CaltechAUTHORS:20110624-154855798
- NSF
- DMR-0520565
- Deutsche Forschungsgemeinschaft (DFG)
- SFB 602
- Leibniz Program
- Los Alamos National Laboratory
- Created
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2011-06-27Created from EPrint's datestamp field
- Updated
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2021-11-09Created from EPrint's last_modified field