Atomistic Simulations in Support of UO{sub 2} Fuel Performance Modeling
- MS G755, P.O. Box 1663, Los Alamos, NM, 87545 (United States)
Large fission gas atoms such as Xe have very low solubility in the UO{sub 2} fuel matrix, which drives precipitation and growth of intra-granular fission gas bubbles, segregation of gas atoms to grain boundaries and evolution of intergranular bubbles. The inter-granular bubbles develop percolation networks leading to release of the fission gas. Fission gas bubbles induce fuel swelling and the fuel thermal conductivity is reduced by both fission gas bubbles and dispersed gas atoms. When fission gas is released from the fuel to the plenum, the pressure on the clad walls increases and the gap thermal conductivity decreases. All of these detrimentally affect fuel performance. The thermal conductivity of UO{sub 2} is low across a wide temperature range compared to iso-structural materials such as ThO{sub 2}, which is caused by the coupling between phonons carrying heat and uranium spins or magnetism providing a scattering mechanism with very low mean free path. For in-pile conditions the thermal conductivity is further reduced due to, for example, radiation damage, generation of fission products and fission gases and fuel microstructure evolution. This results in a complex burn-up dependent thermal conductivity. Thermal conductivity and fission gas evolution are two of the most important properties determining UO{sub 2} nuclear fuel performance. Both properties have significant uncertainty. In order to reduce this uncertainty, new models are being developed based on multi-scale simulations that attempt to improve the description of material properties and also couple them to the microstructure state of the material. In this paper we highlight atomistic calculations and simulations used to develop meso-scale models of the evolution of fission gases and thermal conductivity in UO{sub 2}. Literature examples of the application of these results and the corresponding models to fuel performance simulations will also be given. (author)
- OSTI ID:
- 22992070
- Journal Information:
- Transactions of the American Nuclear Society, Vol. 114, Issue 1; Conference: Annual Meeting of the American Nuclear Society. Embedded topical meeting 'Nuclear fuels and structural material for the next generation nuclear reactors', New Orleans, LA (United States), 12-16 Jun 2016; Other Information: Country of input: France; 10 refs.; Available from American Nuclear Society - ANS, 555 North Kensington Avenue, La Grange Park, IL 60526 United States; ISSN 0003-018X
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS
36 MATERIALS SCIENCE
BUBBLES
BURNUP
FISSION
FISSION PRODUCTS
FOUNDATIONS
GASES
GRAIN BOUNDARIES
MEAN FREE PATH
NUCLEAR FUELS
PHONONS
PRECIPITATION
RADIATION EFFECTS
SIMULATION
SPIN
SWELLING
THERMAL CONDUCTIVITY
THORIUM OXIDES
URANIUM
URANIUM DIOXIDE