First-principles study of the incorporation and diffusion of helium in cubic zirconia

Journal of Nuclear Materials

Volumn 418, Issue 1-3, 2011, Pages 143-151

  Zhang, Peng ^a,b   Lu, Yong ^b,c   He, Chao Hui ^a   Zhang, Ping ^b,d  

^a XI'AN JIAOTONG UNIVERSITY   (China)

^b INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^c BEIJING NORMAL UNIVERSITY   (China)

^d PEKING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; CUBIC ZIRCONIA; EXPERIMENTAL MEASUREMENTS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; INTERSTITIAL DIFFUSION; INTERSTITIAL SITES; INTERSTITIALS; MIGRATION ENERGY; NEGATIVE-U; PROJECTOR AUGMENTED WAVES; SINGLE VACANCIES; SOLUTION ENERGY; THERMODYNAMIC EQUILIBRIA; TOTAL-ENERGY CALCULATIONS; VACANCY DEFECTS; VACANCY-ASSISTED DIFFUSION;

CALCULATIONS; DIFFUSION; ELECTRONIC PROPERTIES; HELIUM; OXYGEN; ZIRCONIA; ZIRCONIUM; ZIRCONIUM ALLOYS;

OXYGEN VACANCIES;

EID: 80053560406     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2011.06.025     Document Type: Article

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