Molecular dynamic simulation of heterogeneity and chemical states of fluorine in amorphous alkaline earth silicate systems

Computational Materials Science

Volumn 9, Issue 3-4, 1998, Pages 337-342

  Hayakawa, Satoshi ^a   Ohtsuki, Chikara ^a   Matsumoto, Syuji ^a   Osaka, Akiyoshi ^a   Miura, Yoshinari ^a  

^a OKAYAMA UNIVERSITY   (Japan)

Author keywords

Clusters; Fluoride ions; Fluorine cation bonds; Ionic potential; Molecular dynamics; Silicate glasses; Structure; X ray photoelectron spectroscopy

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; FLUORINE COMPOUNDS; MOLECULAR DYNAMICS; SILICATES; X RAY PHOTOELECTRON SPECTROSCOPY;

FLUOROSILICATE GLASSES; IONIC POTENTIAL;

GLASS;

EID: 0031652992     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0927-0256(97)00159-6     Document Type: Article

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