A First Principles Study of Palladium Impurities in Silicon Carbide

Guido Roma

doi:10.4028/www.scientific.net/AST.45.1969

Paper Titles

Mixed Lithium-Boron Materials
p.1941

Thermodynamic Modelling of the Uranium-Carbon-Oxygen System in the Frame of the Uranium Oxide and Carbon Interaction in the TRISO Fuel Particle of High Temperature Reactor
p.1944

Restructuring of Nuclear Oxide Fuel under High Burnup Irradiation
p.1952

Radiation Damage Effects in Insulators for Fusion Reactors: Microstructure Evolution in MgO-Al₂O₃ System Oxide Crystals
p.1961

A First Principles Study of Palladium Impurities in Silicon Carbide
p.1969

Electrical Conductivity of Proton Conductive Ceramics under Reactor Irradiation
p.1974

Reducing Hydrogen Penetration through Corrosion Layer Formed on Zirconium Alloys by Iron Addition
p.1980

Processing Ceramics for Radioactive Waste Immobilisation
p.1986

Influence of Noble Metal Particles on Redox Reactions on Uranium Dioxide Surfaces
p.1996

HomeAdvances in Science and TechnologyAdvances in Science and Technology Vol. 45A First Principles Study of Palladium Impurities...

A First Principles Study of Palladium Impurities in Silicon Carbide

Abstract:

The main task of the silicon carbide layer in Triso-coated fuel particles for gas-cooled high temperature fission reactors is to retain fission products. It has been observed that some fission products, and in particular Pd, attack the SiC layer and are supposed to be responsible for corrosion of the material, which could facilitate fission products release. We used first principles calculations based on Density Functional Theory (DFT) in order to investigate the energetic, structural, and kinetic properties of Pd impurities inside SiC; we obtained solution and migration energies in pure SiC and discuss the thermodynamics of a few reactions that could possibly occur for Pd impurities in silicon carbide.

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Advances in Science and Technology (Volume 45)

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1969-1973

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https://doi.org/10.4028/www.scientific.net/AST.45.1969

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October 2006

Authors:

Guido Roma

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Defect, Diffusion, First-Principle Calculations, Irradiation Damage

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