First-passage times in phase space for the strong collision model

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PHYSICAL REVIEW E

VOLUME 59, NUMBER 3

MARCH 1999

BRIEF REPORTS Brief Reports are accounts of completed research which do not warrant regular articles or the priority handling given to Rapid Communications; however, the same standards of scientific quality apply. (Addenda are included in Brief Reports.) A Brief Report may be no longer than four printed pages and must be accompanied by an abstract. The same publication schedule as for regular articles is followed, and page proofs are sent to authors.

First-passage times in phase space for the strong collision model D. J. Bicout,1,* A. M. Berezhkovskii,1,2,† Attila Szabo,1 and G. H. Weiss2

1

Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Building 5, Room 136, Bethesda, Maryland 20892 2 Mathematical and Statistical Computing Laboratory, Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892 ~Received 21 September 1998! We consider the dynamics in phase space in which particles follow Newtonian trajectories that are randomly interrupted by collisions which equilibrate both the velocity and position of the particles. Collisions are assumed to be statistically independent events of zero duration and the intercollision time is a random variable with a negative exponential distribution. For this model, we derive an analytical expression for the Laplace transform of the survival probability and quadrature expressions for mean first-passage times. @S1063-651X~99!01103-4# PACS number~s!: 02.50.Ey, 05.40.2a, 05.60.2k

I. INTRODUCTION

The first-passage time is the time required for a particle to reach a boundary for the first time. If the particle is destroyed at this boundary, the first-passage time is just the lifetime of the particle. When the dynamics is stochastic, the firstpassage time is a random variable, and its average over all realizations of the particle trajectories yields the mean lifetime of the particle in the system. It is well known that for ordinary diffusive dynamics in an arbitrary one-dimensional potential, the calculation of the mean first-passage time can be reduced to quadratures @1,2#. However, when the dynamics of the particle is diffusive in phase space ~as described by the Kramers-Klein equation @3#!, the problem of calculating the mean first-passage time is as yet unsolved. The purpose of this paper is to show that the first-passage time problem can be solved analytically for a strong collision model @4,5#, which is an alternative to the model described by the Kramers-Klein equation for dynamics in phase space. Different collisional models and their application to reaction rate theory were recently discussed by Berne @6#. In this model, particles follow Newtonian trajectories which are interrupted by collisions of zero duration. These collisions serve to equilibrate both the velocity and position of the particles. The time interval between successive collisions is a

random variable described by the probability density g e 2 g t , where g is the collision frequency. For this model, we derive analytical expressions for both the Laplace transform of the survival probability and quadratures for mean first-passage times. This model was previously used by Skinner and Wolynes @7# in their analysis of escape of particles from a metastable potential well over a high potential barrier. They found that for moderate values of g , the escape rate predicted by this model is close to the one obtained from the BhatnagarGross-Krook model @8#, in which only the velocity of particles is equilibrated after a collision. Consider a particle of mass m moving in the region 2` ,x0. For the strong collision model, the propagator P(x, v ,t u x 0 , v 0 ), which is the probability density of finding the particle at the phase point (x, v ) at time t, given that it was initially at phase point (x 0 , v 0 ), is described by the equation:

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©1999 The American Physical Society

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BRIEF REPORTS

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