Abstract of SPKMC2 Project

Our goal is to develop a computational framework based on accelerated kinetic Monte Carlo (kMC) simulations to explore radiation damage accumulation in the ~100-dpa realm in structural element materials relevant to future fusion reactors. Our methodology will be built around a novel parallel kMC algorithm capable of running on massively parallel platforms, incorporating the heterogeneity of the material microstructure. By developing this new computational methodology, we will be able to study non- equilibrium processes while retaining all the rich physics inherent in heterogeneous multicomponent systems subject to nontrivial boundary conditions. The applications are twofold: First, it will output microstructures for both homogeneous and heterogeneous systems for the non-equilibrium process. And second, it will provide information regarding the timescale associated with the formation of those microstructures. Such information will prove valuable for studies involving swelling, embrittlement, hardness, and creep, all of them important issues in the development of materials for fusion applications. After the previous optimizations carried out, further improvement can be developed.