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Boundary Homogenization And Capture Time Distributions Of Semipermeable Membranes With Periodic Patterns Of Reactive Sites, Andrew J. Bernoff, Daniel Schmidt, Alan E. Lindsay

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We consider the capture dynamics of a particle undergoing a random walk in a half- space bounded by a plane with a periodic pattern of absorbing pores. In particular, we numerically measure and asymptotically characterize the distribution of capture times. Numerically we develop a kinetic Monte Carlo (KMC) method that exploits exact solutions to create an efficient particle- based simulation of the capture time that deals with the infinite half-space exactly and has a run time that is independent of how far from the pores one begins. Past researchers have proposed homogenizing the surface boundary conditions, replacing the reflecting (Neumann) …