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arXiv · 0908.4447

Homogeneous Bubble Nucleation driven by local hot spots: a Molecular Dynamics Study

Zun-Jing Wang·Chantal Valeriani·Daan Frenkel
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Abstract

We report a Molecular Dynamics study of homogenous bubble nucleation in a Lennard-Jones fluid. The rate of bubble nucleation is estimated using forward-flux sampling (FFS). We find that cavitation starts with compact bubbles rather than with ramified structures as had been suggested by Shen and Debenedetti (J. Chem. Phys. 111:3581, 1999). Our estimate of the bubble-nucleation rate is higher than predicted on the basis of Classical Nucleation Theory (CNT). Our simulations show that local temperature fluctuations correlate strongly with subsequent bubble formation - this mechanism is not taken into account in CNT.

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Zun-Jing Wang, Chantal Valeriani, Daan Frenkel. 2009-08-31. Homogeneous Bubble Nucleation driven by local hot spots: a Molecular Dynamics Study. https://doi.org/10.1021/jp807727p

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