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Article Navigation> JOURNAL OF BEIJING INSTITUTE OF TECHNOLOGY> 2010> 19(1): 99-102
FAN Qun-bo, WANG Fu-chi, ZHANG Hui-ling. Study of High-Temperature Stability of Pyrochlore Zirconates[J]. JOURNAL OF BEIJING INSTITUTE OF TECHNOLOGY, 2010, 19(1): 99-102.
Citation: FAN Qun-bo, WANG Fu-chi, ZHANG Hui-ling. Study of High-Temperature Stability of Pyrochlore Zirconates[J].JOURNAL OF BEIJING INSTITUTE OF TECHNOLOGY, 2010, 19(1): 99-102.
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Study of High-Temperature Stability of Pyrochlore Zirconates

  • School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China

  • Received Date:2008-10-31
    Abstract
  • Based on defect chemistry theory and molecular dynamics, the defect formation energy and its relationship with the mechanism of pyrochlore-fluorite phase change were investigated, so as to reveal the underlying mechanism of high-temperature stability of pyrochlore zirconates. Results showed that with the rise of the atom mass of A, the defect formation energies decreased that meant the crystal structure tended to become more disordered. Noticeably, the first nearest cation antisite dominated the pyrochlore disorder transformation process. In addition, it was found that the diffusion of oxygen atoms was far higher than that of cations, and was increased with the temperature, thus also promoting the pyrochlore-fluorite transformation process.
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    • References (8)
  • [1]
    Wu Jie. Novel low thermal conductivity ceramics for thermal barrier coating applications . Connecticut: University of Connecticut, 2004.
    [2]
    Terki R, Feraoun H, Bertrand G, et al. Full potential linearized augmented plane wave investigations of structural and electronic properties of pyrochlore systems[J]. Journal of Applied Physics, 2004, 96(11): 6482-6487.
    [3]
    Crocombette J P, Chartier A, Weber W J. Atomistic simulation of amorphization thermokinetics in lanthanum pyrozirconate[J]. Applied Physics Letters, 2006, 88: 051912.
    [4]
    Minervini L, Grimes R W, Tabira Y, et al. The oxygen positional parameter in pyrochlores and its dependence on disorder[J]. Philosophical Magazine A, 2002, 82(1): 123-135.
    [5]
    Minervini L, Grimes R W, Sickafus K E. Disorder in pyrochlore oxides[J]. Journal of the American Ceramic Society, 2004, 83(8): 1873-1878.
    [6]
    Yokokawa H, Sakai N, Kawada T, et al. Chemical potential diagrams for rare earth-transition metal-oxygen systems: Ⅰ, Ln-V-O and Ln-Mn-O system[J]. Journal of the American Ceramic Society, 1999, 73(3): 649-658.
    [7]
    Chartier A, Meis R. Theoretical study of disorder in Ti-substituted La2Zr 2O 7[J]. Physical Review B, 2002, 65: 134116.
    [8]
    Wilde P J, Catlow C R A. Molecular dynamics study of the effect of doping and disorder on diffusion in gadolinium zirconate[J]. Solid State Ionics, 1998, 112:185-195. (Edited by
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