Accelerated Monte Carlo method for calculation of sink strengths of absorbing surfaces for 3-D migrating particles in crystals of the cubic system

Abstract An accelerated (compared to the standard “residence-time” algorithm) Monte Carlo method for the calculation of the sink strengths of absorbing surfaces for particles in crystals of the cubic system has been suggested. On its basis, several algorithms have been developed which allow one to calculate the sink strengths either without any systematic inaccuracy or with its low and controlled magnitude. These algorithms have been tested by calculating the sink strengths of absorbing surfaces of different geometry (spherical, toroidal, cylindrical and planar) for particles (self-interstitial atoms, vacancies) in a crystal with BCC lattice. The use of the developed algorithms accelerates the calculations for low volume fractions of absorbers by orders of magnitude.