Rings in covalent glass and an evaluation of configurational entropy associated with rings

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F13%3A43896850" target="_blank" >RIV/60461373:22310/13:43896850 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.jnoncrysol.2012.10.011" target="_blank" >http://dx.doi.org/10.1016/j.jnoncrysol.2012.10.011</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jnoncrysol.2012.10.011" target="_blank" >10.1016/j.jnoncrysol.2012.10.011</a>

Result language
angličtina
Original language name
Rings in covalent glass and an evaluation of configurational entropy associated with rings
Original language description
In this study, Molecular dynamics were utilised to prepare the structure of 5K(2)O center dot 95SiO(2) glass. Algorithms based on the removal of the redundant bonds were used to decrease the number of overbonded atoms. These algorithms were found to be very effective and led to an experimentally comparable amount of overcoordinated silicon atoms What made the topological network of glass more realistic. The decomposition of the established glass topological network into a disjoint and complete set of reflecting ring structures was performed. Configurational entropy was calculated on basis of the ideal mixing of the structural units obtained from the decomposition. This entropy reflected the topology of the rings and consequently of medium range order.The calculated specific heat drop at the glass transition temperature was within the uncertainness of the available experimental data. (c) 2012 Elsevier B.V. All rights reserved.
Czech name
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Czech description
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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%2F09%2F1269" target="_blank" >GA104/09/1269: Changes in structure and properties of silicate glass irradiated with high-energy particles</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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