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

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

2009-08-31

arxiv.org/abs/0908.4447v1

J. Phys. Chem. B, 2009, 113 (12), pp 3776-3784

Physics

Chemical Physics

Scientific paper

10.1021/jp807727p

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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