Thermal conductivity of zirconia for thermal barrier coatings: A perturbed molecular dynamics study

Masato Yoshiya, Mineaki Matsumoto, Akihiko Harada, Munetaka Takeuchi, Hideaki Matsubara

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Thermal conductivity of pure and Y2O3-doped ZrO 2 was calculated using a perturbed molecular dynamics method in order to analyze phonon scattering mechanism which is responsible for the reduction of thermal conductivity. Although absolute values of thermal conductivity were overestimated due to a simple model used in this study, relative values were in good agreement with experiment, which indicates that phonon scattering due to Y2O3 addition is reproduced well. It is found from quantitative analysis of the phonon scattering using the mean field theory that decrease of the thermal conductivity upon Y2O3 addition is attributed not only to the introduction of O2- vacancies but also to substitution of Y3+ ions for Zr4+ ions.

Original languageEnglish
Pages (from-to)521-524
Number of pages4
JournalKey Engineering Materials
Volume317-318
DOIs
Publication statusPublished - 2006

Keywords

  • Molecular Dynamics
  • Thermal Barrier Coatings
  • Thermal Conductivity
  • Zirconia

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

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