Molecular dynamics simulations of oxygen ion diffusion and superionic conduction in ytterbia-stabilized zirconia

Computational Materials Science

Volumn 38, Issue 4, 2007, Pages 865-872

  Pramananda Perumal, T ^a   Sridhar, V ^b   Murthy, K P N ^b   Easwarakumar, K S ^c   Ramasamy, S ^a  

^a UNIVERSITY OF MADRAS   (India)

^b INDIRA GANDHI CENTRE FOR ATOMIC RESEARCH   (India)

^c ANNA UNIVERSITY   (India)

Author keywords

Activation energy; Arrhenius plot; Ionic conductivity; Mean square displacement; Oxygen ion diffusion coefficient; Radial distribution function g(r); Superionic transition; Ytterbia stabilized zirconia

Indexed keywords

ACTIVATION ENERGY; COMPUTER SIMULATION; IONIC CONDUCTION; MELTING; PHASE TRANSITIONS; RADIAL BASIS FUNCTION NETWORKS; TEMPERATURE SCALES; YTTERBIUM; ZIRCONIA;

ARRHENIUS PLOT; DISCRETE HOPPING; MEAN SQUARE DISPLACEMENT; OXYGEN ION DIFFUSION COEFFICIENT; SUB-LATTICE MELTING; SUPERIONIC TRANSITION; YTTERBIA-STABILIZED ZIRCONIA (YBSZ);

MOLECULAR DYNAMICS;

EID: 33846233915     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.05.023     Document Type: Article

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