The MD study of mixed alkali effect in alkali silicate glasses

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F10%3A00022963" target="_blank" >RIV/60461373:22310/10:00022963 - isvavai.cz</a>

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

The MD study of mixed alkali effect in alkali silicate glasses

Original language description

The structure of mixed alkali 20[xNa2O.(1-x)Rb2O].80SiO2 glasses is studied with help of molecular dynamics simulation (MD) in terms of coordination numbers of MI?nbO, MI?bO, nbO?nbO, and bO?bO, where (n)bO means (non)bridging oxygens; Qn species, where?Q? means quaternary silicon and n stands for the number of bO atoms; and primitive rings. The extensive error analysis based on four independent configurations and fine sampling of concentration interval (?x=0?1) is provided. An attempt to correlate themixed alkali effect (MAE), which is basically a dynamical phenomenon, with structural changes in the silicate network was made. It is shown that the distribution of Qn species depends on x. Q3 species disproportionate according to the reaction 2Q3?Q2+Q4, and reach their minimum close to x=0?6. The deviation from linearity can be also found for the coordination number of nbO?nbO indicating the formation of nbO-rich regions. The reason for these structural changes reside in the differen

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

JH - Ceramics, fire-proof materials and glass

OECD FORD branch

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Project

<a href="/en/project/GP104%2F07%2FP420" target="_blank" >GP104/07/P420: Molecular simulations of silicate melts doped with nitrogen and sulphur</a><br>

Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2010

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physics and Chemistry of Glasses

ISSN

0031-9090

e-ISSN

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Volume of the periodical

2010

Issue of the periodical within the volume

1

Country of publishing house

GB - UNITED KINGDOM

Number of pages

4

Pages from-to

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UT code for WoS article

000280959300005

EID of the result in the Scopus database

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