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Issue 10, 2010
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Modeling and simulation of nuclear fuel materials

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We review the state of modeling and simulation of nuclear fuels with emphasis on the most widely used nuclear fuel, UO2. The hierarchical scheme presented represents a science-based approach to modeling nuclear fuels by progressively passing information in several stages from electronic structure calculations to continuum level simulations. Such an approach is essential to overcome the challenges posed by radioactive materials handling, experimental limitations in modeling extreme conditions and accident scenarios, and the small time and distance scales of fundamental processes. When used in conjunction with experimental validation, this multiscale modeling scheme can provide valuable guidance to development of fuel for advanced reactors to meet rising global energy demand.

Graphical abstract: Modeling and simulation of nuclear fuel materials

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The article was received on 09 Apr 2010, accepted on 03 Jun 2010 and first published on 12 Jul 2010

Article type: Review Article
DOI: 10.1039/C0EE00028K
Citation: Energy Environ. Sci., 2010,3, 1406-1426
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    Modeling and simulation of nuclear fuel materials

    R. Devanathan, L. Van Brutzel, A. Chartier, C. Guéneau, A. E. Mattsson, V. Tikare, T. Bartel, T. Besmann, M. Stan and P. Van Uffelen, Energy Environ. Sci., 2010, 3, 1406
    DOI: 10.1039/C0EE00028K

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