A numerical method for solving snapping out Brownian motion in 2D bounded domains.

Diffusion in heterogeneous media partitioned by semi-permeable interfaces has a wide range of applications in the physical and life sciences, including gas permeation in soils, diffusion magnetic resonance imaging (dMRI), drug delivery, thermal conduction in composite media, synaptic receptor trafficking, and intercellular gap junctions. At the single particle level, diffusion across a semi-permeable interface can be formulated in terms of so-called snapping out Brownian motion (SNOBM). The latter sews together successive rounds of reflected BM, each of which is restricted to one side of the interface. Each round of reflected BM is killed when the local time at the interface exceeds an independent, exponentially distributed random variable. (The local time specifies the amount of time a reflected Brownian particle spends in a neighborhood of the interface.) The particle then immediately resumes reflected BM on the same side or the other side of the interface according to a stochastic switch, and the process is iterated. In this paper, we develop a Monte Carlo algorithm for simulating a two-dimensional version of SNOBM, which is used to solve a first passage time (FPT) problem for diffusion in a domain with semi-permeable partially absorbing traps. Our method combines a walk-on-spheres (WOS) method with an efficient algorithm for computing the boundary local time that uses a Skorokhod integral representation of the latter. We validate our algorithm by comparing the Monte Carlo estimates of the mean first passage time (MFPT) to the exact solution for a single circular trap, and show that our simulations are consistent with asymptotic results obtained for the 2D narrow capture problem involving multiple small circular targets. We also discuss extensions to higher dimensions. • Developed a Monte Carlo algorithm for simulating diffusion through semi-permeable membranes. • Uses the probabilistic framework of snapping out Brownian motion. • Combines walk-on-spheres with an efficient method for computing the boundary local time. • Validated by comparing numerical results with analytic solutions of first passage time problems. [ABSTRACT FROM AUTHOR]