Title

Optimum pyrochlore compositions for low thermal conductivity

Authors

Authors

P. K. Schelling; S. R. Phillpot;R. W. Grimes

Comments

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Abbreviated Journal Title

Philos. Mag. Lett.

Keywords

MOLECULAR-DYNAMICS SIMULATION; YTTRIA-STABILIZED ZIRCONIA; BARRIER; COATINGS; MECHANISM; TRANSPORT; CRYSTALS; Physics, Condensed Matter

Abstract

The thermal conductivities of 40 pyrochlores with the composition A(2)B(2)O(7) (A=La, Pr, Nd, Sm, Eu, Gd, Y, Er or Lu; B = Ti, Mo, Sn, Zr or Pb) are predicted by molecular dynamics simulations. The trends in the behaviour can be fully understood in terms of the differences in the density and the speed of sound in the materials. Increased structural disorder, arising from O diffusion in most of the Pb-containing systems, leads to a further reduction in the thermal conductivity. We suggest strategies for lowering the thermal conductivity even further.

Journal Title

Philosophical Magazine Letters

Volume

84

Issue/Number

2

Publication Date

1-1-2004

Document Type

Article

Language

English

First Page

127

Last Page

137

WOS Identifier

WOS:000188514900008

ISSN

0950-0839

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