Abstract
Primary radiation damage, resulting from the direct ballistic collisions of energetic particles with matter, is the starting point for all of radiation damage. It has traditionally been simulated using binary collision approximations (BCA) Monte Carlo (MC) method in bulk or layered materials, which has served the community well until now. The introduction of nanosized features into materials, whether as 0D dispersoids to pin grain boundaries, 1D dispersoids for removal of helium and sinking defects, or other nanosized features, introduces major errors into conventional bulk/multilayer BCA-MC simulations. This is due to an inability to simulate the exchange of ions at internal/external phase boundaries and the creation of struck atoms with ranges larger than or comparable to the smallest microstructural feature. We first review the fundamentals of BCA-MC simulations with continuous electronic slowing down for energetic ions, followed by identifying where the traditional approaches fail, and ending with a new full-3D simulation capability to correctly model such features. Such simulations drive the planning and interpretation of radiation exposure campaigns, ion implantation, ion modifications, and even the basic definition of radiation damage. A comparison to more accurate but computationally more expensive, molecular dynamics (MD) simulations of radiation damage will be discussed.
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Acknowledgments
The authors acknowledge support from the United States National Science Foundation Grant No. DMR-1120901, and support from the U.S. DOE Office of Nuclear Energy under Grant No. DE-NE0008827. M. P. S. specifically acknowledges support from the U.S. National Science Foundation’s CAREER award program under Grant No. DMR-1654548. The authors thank Dr. Yong-Gang Li from the Institute of Solid State Physics of the Chinese Academy of Sciences and Prof. Benoit Forget from MIT for helpful discussions.
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Li, J., Yang, Y., Short, M.P. (2019). More Efficient and Accurate Simulations of Primary Radiation Damage in Materials with Nanosized Microstructural Features or~Ion~Beams. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling. Springer, Cham. https://doi.org/10.1007/978-3-319-50257-1_115-1
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DOI: https://doi.org/10.1007/978-3-319-50257-1_115-1
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More Efficient and Accurate Simulations of Primary Radiation Damage in Materials with Nanosized Microstructural Features or Ion Beams- Published:
- 07 January 2019
DOI: https://doi.org/10.1007/978-3-319-50257-1_115-2
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More Efficient and Accurate Simulations of Primary Radiation Damage in Materials with Nanosized Microstructural Features or~Ion~Beams- Published:
- 25 October 2018
DOI: https://doi.org/10.1007/978-3-319-50257-1_115-1