Review of Calculations on Point Defect Properties in Delta-Pu [electronic resource].
- Washington, D.C. : United States. Dept. of Energy, 2015. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
- Physical Description:
- 20 pages : digital, PDF file
- Additional Creators:
- Lawrence Livermore National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- The results of theoretical predictions of properties for vacancies and self-interstitial atoms (SIA) in δ-Pu are presented and reviewed. Three methods have been used for these predictions, namely the modified embedded atom method (MEAM), density functional theory (DFT) with and without spin polarization, and continuum mechanics (CM) models adapted to plutonium. The properties considered are formation and migration energies, and relaxation volumes of vacancies and SIA. Predicted values vary considerably. Nevertheless, all three methods predict that the activation energy for self-diffusion by vacancies is of similar magnitude as the SIA formation energy. Furthermore, the absolute magnitudes of relaxation volumes for vacancies and SIA are also similar, indicating that there exist no large bias for radiation-induced void swelling.
- Published through SciTech Connect., 09/08/2015., "llnl-tr--676992", and Allen, P. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)]; Wolfer, W. G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)].
- Funding Information:
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