Toward an atomistically informed fuel performance code

Thermal properties using FRAPCON and molecular dynamics simulation

Daniel A. Vega, Taku Watanabe, Susan B. Sinnott, Simon R. Phillpot, James S. Tulenko

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A proof-of-principle study is presented in which the results of atomic-level simulations of the thermal expansion and thermal conductivity of U02 are integrated into the fuel performance code FRAPCON. The beginning-of-life (BOL) thermal conductivity profile of a fuel pellet and the evolution of the pellet expansion over its lifetime are determined. It is found that (a) modifying FRAPCON to accept input from atomistic simulations (or elsewhere, such as new experiments or other calculations) is relatively straightforward, at least for these two properties, and (b) the properties determined from atomistic simulations yield predictions in FRAPCON that are in good agreement for the BOL thermal conductivity, but much less satisfactory for the pellet expansion.

Original languageEnglish (US)
Pages (from-to)308-312
Number of pages5
JournalNuclear Technology
Volume165
Issue number3
DOIs
StatePublished - Jan 1 2009

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pellets
Molecular dynamics
Thermal conductivity
thermal conductivity
Thermodynamic properties
thermodynamic properties
molecular dynamics
Computer simulation
expansion
simulation
Thermal expansion
thermal expansion
life (durability)
conductivity
profiles
predictions
Experiments

All Science Journal Classification (ASJC) codes

  • Nuclear and High Energy Physics
  • Nuclear Energy and Engineering
  • Condensed Matter Physics

Cite this

Vega, Daniel A. ; Watanabe, Taku ; Sinnott, Susan B. ; Phillpot, Simon R. ; Tulenko, James S. / Toward an atomistically informed fuel performance code : Thermal properties using FRAPCON and molecular dynamics simulation. In: Nuclear Technology. 2009 ; Vol. 165, No. 3. pp. 308-312.
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Toward an atomistically informed fuel performance code : Thermal properties using FRAPCON and molecular dynamics simulation. / Vega, Daniel A.; Watanabe, Taku; Sinnott, Susan B.; Phillpot, Simon R.; Tulenko, James S.

In: Nuclear Technology, Vol. 165, No. 3, 01.01.2009, p. 308-312.

Research output: Contribution to journalArticle

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