Group connectivity in binary silicate glasses: a quasi-chemical approach and MD simulation

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F08%3A00020000" target="_blank" >RIV/60461373:22310/08:00020000 - 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
Group connectivity in binary silicate glasses: a quasi-chemical approach and MD simulation
Original language description
The medium-range order of molecular dynamics (MD) simulated binary alkali silicate glass with 5, 10, 15, 20, 25, and 33.3 mol% of Na2O is studied in terms of the connectivity groups Qn;a1; ...; an , where n stands for the number of bridging oxygen atoms,and a1, . . .,an indicate the type of the connected Qn units. MD structure significantly deviates from the random connectivity model. The deviations were quantified by means of the quasi-chemical approach. The interchange energy between Q3 and Q4 unitswas found to be negative, indicating preferential formation of Q3?Q4 connections. This means that no tendency to phase separation was observed. Although alkali cations were apparently non-homogeneously distributed in space, regions abounding in Q3?Q3 andQ4?Q4 connections were not formed. It was suggested that grouping of alkali cations can be also mediated by the Q4, 4433 groups.
Czech name
Skupinová konektivita v binárních křemičitých sklech: kvasichemický přístup a simulace molekulové dynamiky
Czech description
Skupinová konektivita v binárních křemičitých sklech: kvasichemický přístup a simulace molekulové dynamiky

Type
J<sub>x</sub> - 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/GA104%2F06%2F0202" target="_blank" >GA104/06/0202: Changes in structure and properties of silicate glass surface irradiated with electrons</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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