Molecular dynamics of the Na₂O - MgO - CaO - SiO₂ glasses

dc.bibliographicCitation.firstPage267
dc.bibliographicCitation.journalTitleGlass Science and Technology
dc.bibliographicCitation.lastPage272
dc.bibliographicCitation.volume77c
dc.contributor.authorLiška, M.
dc.contributor.authorMacháček, J.
dc.contributor.authorGedeon, O.
dc.contributor.authorKlement, R.
dc.date.accessioned2024-08-23T15:03:34Z
dc.date.available2024-08-23T15:03:34Z
dc.date.issued2004
dc.description.abstractGlasses of the following compositions were prepared by means of molecular dynamics simulation: 0.15 Na₂O*xMgO*(0.1-x) CaO*0.75 SiO₂, x=0, 0.02, 0.04, 0.06, 0.08, 0.10. The influence of the replacement of Ca ions with Mg ions on the short- and medium-range structure was studied and discussed in frame of radial distribution functions, coordination numbers, and Q-species. Results are compared with Q-distribution obtained by means of Raman spectroscopy. High content of sodium oxide produces itself such abundant amount of non-bridging oxygen atoms that alkaline earth oxide cations Charge balancing requirements are fully saturated and the MgO/CaO Substitution does not change the glass structure in frame of Q-units.eng
dc.description.versionpublishedVersion
dc.identifier.urihttps://oa.tib.eu/renate/handle/123456789/14910
dc.identifier.urihttps://doi.org/10.34657/13932
dc.language.isoeng
dc.publisherOffenbach : Verlag der Deutschen Glastechnischen Gesellschaft
dc.relation.issn0946-7475
dc.rights.licenseCC BY 3.0 DE
dc.rights.urihttps://creativecommons.org/licenses/by/3.0/de/
dc.subject.ddc660
dc.subject.gndKonferenzschrift
dc.titleMolecular dynamics of the Na₂O - MgO - CaO - SiO₂ glasseseng
dc.typeArticle
dc.typeText
tib.accessRightsopenAccess
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