1. Object kinetic Monte Carlo methods applied to modeling radiation effects in materials
- Author
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Maria J. Caturla, Universidad de Alicante. Departamento de Física Aplicada, Física de la Materia Condensada, and Grupo de Nanofísica
- Subjects
Physics ,General Computer Science ,Field (physics) ,General Physics and Astronomy ,Kinetic Monte Carlo ,02 engineering and technology ,General Chemistry ,Radiation ,010402 general chemistry ,021001 nanoscience & nanotechnology ,Object (computer science) ,01 natural sciences ,7. Clean energy ,0104 chemical sciences ,Computational physics ,Radiation damage ,Computational Mathematics ,Metals ,Mechanics of Materials ,Irradiated materials ,Física Aplicada ,General Materials Science ,0210 nano-technology - 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. This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014–2018 under grant agreement No 633053. The research leading to these results is partly funded by the European Atomic Energy Community’s (Euratom) H2020 WP 2016-2017 call NFRP13 (M4F) and in the framework of the EERA (European Energy Research Alliance) Joint Programme on Nuclear Materials.
- Published
- 2019
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