I will describe a novel Monte Carlo approach for simulations of diffusion and collisions in the system of N diffusing particles. Based on the theory of first-passage processes and a time-dependent Green’s function formalism, the method is exact and extremely efficient for a range of physical models describing various diffusion-controlled processes. This presentation will cover: (1) The main ideas and mathematical underpinnings of the first-passage kinetic Monte Carlo (FPKMC). (2) Simulations demonstrating the method’s accuracy and efficiency. (3) First simulations of microstructure evolution at the dose rates and to the doses of the reactor lifetimes.
Lawrence Livermore National Laboratory