The Thermal Scattering Law Project

Harnessing modern methods for material modeling and high-fidelity thermal scattering evaluations, the Scattering Law Project provides access to nuclear thermal scattering data from fundamental inputs to benchmark testing on key reactor and nuclear criticality materials to inspire and support the next generation of nuclear applications.

Uranium Dioxide (UO2)

Uranium dioxide (UO2) is a nuclear fuel material which dominates the current reactor fleet. UO2 was modelled using ab initio lattice dynamics (AILD) methods using the VASP and PHONON codes with the thermal scattering law (TSL) calculated using FLASSH 1.0. The data files generated for UO2 are generated for U-235 enrichments of 5%, 10% (LEU+), 19.75% (HALEU), 93% (HEU), 100%, and natural representing the range of fuel enrichments applied for UO2 fuel.    

Publications

Generation of the Thermal Scattering Law of Uranium Dioxide with Ab Initio Lattice Dynamics to Capture Crystal Binding Effects on Neutron Interactions
Generation of Enrichment-Dependent Thermal Neutron Scattering Data
Structure-Dependent Doppler Broadening Using a Generalized Thermal Scattering Law
Examination of the impact of electron–phonon coupling on fission enhanced diffusion in uranium dioxide using classical molecular dynamics

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