The MD study of mixed alkali effect in alkali silicate glasses

Kód výsledku v 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>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

The MD study of mixed alkali effect in alkali silicate glasses

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

The MD study of mixed alkali effect in alkali silicate glasses

Popis výsledku anglicky

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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

JH - Keramika, žáruvzdorné materiály a skla

OECD FORD obor

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Projekt

<a href="/cs/project/GP104%2F07%2FP420" target="_blank" >GP104/07/P420: Molekulové simulace křemičitých tavenin dopovaných dusíkem a sírou</a><br>

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2010

Kód důvěrnosti údajů

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

Název periodika

Physics and Chemistry of Glasses

ISSN

0031-9090

e-ISSN

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Svazek periodika

2010

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

4

Strana od-do

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Kód UT WoS článku

000280959300005

EID výsledku v databázi Scopus

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