Predicting thermal conductivity evolution of polycrystalline materials under irradiation using multiscale approach

Dongsheng Li, Yulan Li, Shenyang Hu, Xin Sun, Mohammad Khaleel

Research output: Contribution to journalArticle

6 Citations (Scopus)

Abstract

A multiscale methodology was developed to predict the evolution of thermal conductivity of polycrystalline fuel under irradiation. At the mesoscale level, a phase field model was used to predict the evolution of gas bubble microstructure. Generation of gas atoms and vacancies was taken into consideration. Gas bubbles were predicted to form, grow, and coalesce around grain boundary (GB) areas. On the macroscopic scale, a statistical continuum mechanics model was applied to predict the anisotropic thermal conductivity evolution during irradiation. Microstructures predicted by the phase field model were fed into the statistical continuum mechanics model to predict properties and behavior. A decrease of thermal conductivity during irradiation was demonstrated. The influence of irradiation flux, the exposure time, and the grain microstructure were investigated. If the initial GB microstructure was isotropic, the thermal conductivity under irradiation would be similarly isotropic. If the initial GB configuration was anisotropic, anisotropy of thermal conductivity would intensify under irradiation as gas bubbles coalesce around GB areas. The prediction of microstructure and property evolution of polycrystalline materials under irradiation by bridging two models in different scales were demonstrated successfully. This approach provides a deep understanding from a basic scientific viewpoint.

Original languageEnglish
Pages (from-to)1060-1069
Number of pages10
JournalMetallurgical and Materials Transactions A: Physical Metallurgy and Materials Science
Volume43
Issue number3
DOIs
Publication statusPublished - 1 Mar 2012
Externally publishedYes

Fingerprint

Polycrystalline materials
Thermal conductivity
thermal conductivity
Irradiation
irradiation
Grain boundaries
grain boundaries
microstructure
Microstructure
Gases
continuum mechanics
Statistical mechanics
Continuum mechanics
bubbles
gases
Vacancies
Anisotropy
methodology
Fluxes
Atoms

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Metals and Alloys
  • Mechanics of Materials

Cite this

Predicting thermal conductivity evolution of polycrystalline materials under irradiation using multiscale approach. / Li, Dongsheng; Li, Yulan; Hu, Shenyang; Sun, Xin; Khaleel, Mohammad.

In: Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science, Vol. 43, No. 3, 01.03.2012, p. 1060-1069.

Research output: Contribution to journalArticle

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