First principles molecular dynamics of silicate oxynitride melt doped with scandium, yttrium and lanthanum

Journal of Non-Crystalline Solids

Volumn 353, Issue 18-21, 2007, Pages 2025-2028

  Machacek, J ^a   Gedeon, O ^a   Liska, M ^b   Charvatova, S ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

^b ALEXANDER DUB EK UNIVERSITY OF TREN ÍN   (Slovakia)

Author keywords

Density functional theory; Medium range order; Molecular dynamics; Oxynitride glasses; Rare earths in glasses; Short range order

Indexed keywords

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); MELTING; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

MEDIUM-RANGE ORDER; OXYNITRIDE SYSTEMS; RARE EARTHS IN GLASSES; SHORT-RANGE ORDER;

SILICATES;

EID: 34247857600     PISSN: 00223093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnoncrysol.2007.01.067     Document Type: Article

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