**************** The 5th., Lab Seminar ****************************

Title: Transition path sampling of cavitation between molecule scale
            solvophobic surfaces
            P. G. Bolhuis, D. Chandler, J. Chem. Phys. 113, 8154 (2000).

Speaker: Norio Takenaka

Date: Thu. Jul. 1st, 3:00 pm

Abstract:
 The dynamics of a cavitation between repulsive plates in a Lennard-
Jones system is studied using transition path sampling.   It is found that
the critical nucleus for the transition coincides with the formation of a
vapor tube connecting the two plates.   The number of particles between
the plates and the tube radius are relevant order parameters.   In the
transition state ensemble, the distributions of these parameters have
widths that are roughly 20% of their respective means.   Committor
distributions of constrained ensembles show that of these two important
parameters, the tube radius is the most significant component in the
reaction coordinate for the cavitation transition.

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