Optimum pyrochlore compositions for low thermal conductivity

    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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