First-encounter time of two diffusing particles in two- and three-dimensional confinement

Phys Rev E. 2022 Apr;105(4-1):044119. doi: 10.1103/PhysRevE.105.044119.

Abstract

The statistics of the first-encounter time of diffusing particles changes drastically when they are placed under confinement. In the present work, we make use of Monte Carlo simulations to study the behavior of a two-particle system in two- and three-dimensional domains with reflecting boundaries. Based on the outcome of the simulations, we give a comprehensive overview of the behavior of the survival probability S(t) and the associated first-encounter time probability density H(t) over a broad time range spanning several decades. In addition, we provide numerical estimates and empirical formulas for the mean first-encounter time 〈T〉, as well as for the decay time T characterizing the monoexponential long-time decay of the survival probability. Based on the distance between the boundary and the center of mass of two particles, we obtain an empirical lower bound t_{B} for the time at which S(t) starts to significantly deviate from its counterpart for the no boundary case. Surprisingly, for small-sized particles, the dominant contribution to T depends only on the total diffusivity D=D_{1}+D_{2}, in sharp contrast to the one-dimensional case. This contribution can be related to the Wiener sausage generated by a fictitious Brownian particle with diffusivity D. In two dimensions, the first subleading contribution to T is found to depend weakly on the ratio D_{1}/D_{2}. We also investigate the slow-diffusion limit when D_{2}≪D_{1}, and we discuss the transition to the limit when one particle is a fixed target. Finally, we give some indications to anticipate when T can be expected to be a good approximation for 〈T〉.