Molecular dynamics calculation of thermal expansion coefficient of a series of rare-earth zirconates

Computational Materials Science

Volumn 46, Issue 3, 2009, Pages 716-719

  Qun bo, Fan ^a   Feng, Zhang ^a   Fu chi, Wang ^a   Lu, Wang ^a  

^a BEIJING INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Fluorite structure; Molecular dynamics; Pyrochlore structure; Rare earth zirconates; Thermal barrier coatings; Thermal expansion coefficient

Indexed keywords

CALCULATED VALUES; EXPERIMENTAL OBSERVATION; FLUORITE STRUCTURE; LOW THERMAL CONDUCTIVITY; MOLECULAR DYNAMICS CALCULATION; POTENTIAL FUNCTION; PYROCHLORE STRUCTURE; PYROCHLORES; RARE-EARTH; RARE-EARTH ZIRCONATES; THERMAL EXPANSION COEFFICIENT; THERMAL EXPANSION COEFFICIENTS; ZIRCONATES;

CERIUM; CERIUM COMPOUNDS; DOPING (ADDITIVES); DYNAMICS; ERBIUM; EUROPIUM; FLUORSPAR; GADOLINIUM; LUTETIUM; MOLECULAR DYNAMICS; THERMAL BARRIER COATINGS; THERMAL CONDUCTIVITY; THERMAL STRESS; THERMOELECTRICITY; YTTERBIUM; ZIRCONIUM;

THERMAL EXPANSION;

EID: 69249241726     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2009.02.033     Document Type: Article

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