Atomistic Level Molecular Dynamics Analysis and its Integrity in the Interim of Irradiation
| Autor: | Hong Tao Zhao, Ahli K. D. Willie, M. Annor-Nyarko |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
010302 applied physics
Materials science Thermodynamics 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics Molecular dynamics Thermal conductivity Interim 0103 physical sciences General Materials Science Irradiation Diffusion (business) 0210 nano-technology Burnup |
| Zdroj: | Solid State Phenomena. 318:39-47 |
| ISSN: | 1662-9779 |
| DOI: | 10.4028/www.scientific.net/ssp.318.39 |
| Popis: | In this work, molecular dynamics (MD) simulation was utilized in relation to access the thermal conductivity of UO2, PuO2 and (U, Pu)O2 in temperature range of 500–3000 K. Diffusion study on mixed oxide (MOX) was also performed to assess the effect of radiation damage by heavy ions at burnup temperatures. Analysis of the lattice thermal conductivity of irradiated MOX to its microstructure was carried out to enhance the irradiation defects with how high burnup hinders fuel properties and its pellet-cladding interaction. Fission gas diffusion as determined was mainly modelled by main diffusion coefficient. Degradation of diffusivity is predicted in MOX as composition deviate from the pure end members. The concentration of residual anion defects is considerably higher than that of cations in all oxides. Depending on the diffusion behavior of the fuel lattice, there was decrease in the ratio of anion to cation defects with increasing temperature. Besides, the modern mixed oxide fuel releases fission gas compared to that of UO2 fuel at moderate burnups. |
| Databáze: | OpenAIRE |
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