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Deutsche Physikalische Gessellschaft IOP Institute of Physics

Exact substitute processes for diffusion–reaction systems with local complete exclusion rules

Focus on Brownian Motion and Diffusion in the 21st Century

Michael Schulz and Peter Reineker

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Part of Focus on Brownian Motion and Diffusion in the 21st Century

Lattice systems with one species diffusion–reaction processes under local complete exclusion rules are studied analytically starting from the usual master equations with discrete variables and their corresponding representation in a Fock space. On this basis, a formulation of the transition probability as a Grassmann path integral is derived in a straightforward manner. It will be demonstrated that this Grassmann path integral is equivalent to a set of Ito stochastic differential equations. Averages of arbitrary variables and correlation functions of the underlying diffusion–reaction system can be expressed as weighted averages over all solutions of the system of stochastic differential equations. Furthermore, these differential equations are equivalent to a Fokker–Planck equation describing the probability distribution of the actual Ito solutions. This probability distribution depends on continuous variables in contrast to the original master equation, and their stochastic dynamics may be interpreted as a substitute process which is completely equivalent to the original lattice dynamics. Especially, averages and correlation functions of the continuous variables are connected to the corresponding lattice quantities by simple relations. Although the substitute process for diffusion–reaction systems with exclusion rules has some similarities to the well-known substitute process for the same system without exclusion rules, there exists a set of remarkable differences. The given approach is not only valid for the discussed single-species processes. We give sufficient arguments to show that arbitrary combinations of unimolecular and bimolecular lattice reactions under complete local exclusions may be described in terms of our approach.


PACS

05.60.-k Transport processes

02.50.Fz Stochastic analysis

02.50.Ng Distribution theory and Monte Carlo studies

02.50.Cw Probability theory

05.50.+q Lattice theory and statistics (Ising, Potts, etc.)

MSC

35K57 Reaction-diffusion equations

82B20 Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs

60Exx Distribution theory (See also 62Exx, 62Hxx)

65C30 Stochastic differential and integral equations

Subjects

Computational physics

Statistical physics and nonlinear systems

Dates

Issue 1 (January 2005)

Received 22 October 2004

Published 31 January 2005



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