Study of fission and high-burnup induced restructuring of nuclear fuel ceramics - Applying computer science to investigate kinetic process

M. Kinoshita, Ying. Chen, Y. Kaneta, H. Y. Geng, M. Iwasawa, T. Ohnuma, T. Ichinomiya, Yasumasa Nishiura, M. Itakura, J. Nakamura, K. Misoo, S. Suzuki, H. J. Matzke

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The new cross-over project of AECJ was introduced briefly The study is to reproduce process and restructuring at high burnup nuclear fuel; the rim-structure, grain sub-division, cauliflower structure by - computational science - accelerator Irradiation simulating fission events in nuclear fuel. By first principle calculations, electronic structures, lattice parameters, formation energies were successfully reproduced. However, strong correlation of f-electrons were treated by empirical approach of +U. Spin-orbital correlation and excited state are not handled yet. Electronic structures of UO2 and CeO2 were compared and resultant difference of material properties are revealed. Lattice defects, produced by irradiation, were investigated step by step from point to clusters. Principally formation energies were calculated. For oxygen defects some detailed analyses are underway. Lattice defects, produced by irradiation, were investigated step by step from point to clusters. Principally formation energies were calculated. For oxygen defects some detailed analyses are underway. Molecular dynamics simulations were performed and continuous change of lattice system was investigated and stabilization of planar structure with precipitated Xenon atoms were confirmed. Lattice defects, produced by irradiation, were investigated step by step from point to clusters. Principally formation energies were calculated. For oxygen defects some detailed analyses are underway. Computational strategy and methodology were discussed for Repeated irradiation, numerous loop of damage quenching and recovery requires new strategy of computation and methodology. Some approaches were briefly introduced.

Original languageEnglish
Title of host publicationMaterials Innovations for Next-Generation Nuclear Energy
Pages292-328
Number of pages37
Publication statusPublished - 2008 Dec 1
Externally publishedYes
Event2007 MRS Fall Meeting - Boston, MA, United States
Duration: 2007 Nov 262007 Nov 30

Publication series

NameMaterials Research Society Symposium Proceedings
Volume1043
ISSN (Print)0272-9172

Other

Other2007 MRS Fall Meeting
Country/TerritoryUnited States
CityBoston, MA
Period07/11/2607/11/30

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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