Object kinetic Monte Carlo methods applied to modeling radiation effects in materials

Abstract

The object kinetic Monte Carlo (OKMC) method has proven to be an excellent tool to better understand microstructure evolution in irradiated materials, from metals to semiconductors. Its most valuable capability is that it provides a way to connect parameters obtained from fundamental models, such as first principles calculations, to experimental observations by expanding simulated time and length scales. However, the OKMC method has many limitations that pose questions on its predictive capabilities and an important effort is taking place to improve the model. In this review, first we describe the object kinetic Monte Carlo methodology, then a few examples are presented in the field of radiation damage of metals and the limitations of the method and its applicability discussed. To conclude, an outlook on the future of this computational model is given.