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ACTA AERONAUTICAET ASTRONAUTICA SINICA ›› 2007, Vol. 28 ›› Issue (1): 196-200.

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Influence of Rare Earth Elements Additions in YSZ Ceramic Coatings of Thermal Barrier Coatings on Lattice Distortion

JI Xiao-juan,GONG Sheng-kai,XU Hui-bin,LIU Fu-shun   

  1. Department of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics
  • Received:2005-08-08 Revised:2005-12-07 Online:2007-01-10 Published:2007-01-10
  • Contact: GONG Shengkai

Abstract:

Geometry optimization of zirconia added with rare earth elements was carried out by means of the first principle method based on plane-wave pseudopotential theory. X-O bond length, lattice constant, atomic and bond populations were analyzed. The calculation results were analyzed by comparing the experiment data.

Key words: lattice , distortion,  , rare , earth , elements,  , lattice , vibration,  , bond , population,  , CASTEP

CLC Number: