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

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

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/GA104%2F09%2F1269" target="_blank" >GA104/09/1269: Změny ve struktuře a vlastnostech křemičitých skel ozářených vysokoenergetickými částicemi</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2013

Kód důvěrnosti údajů

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

Název periodika

Journal of Non-crystalline Solids

ISSN

0022-3093

e-ISSN

—

Svazek periodika

360

Číslo periodika v rámci svazku

leden

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

8

Strana od-do

41-48

Kód UT WoS článku

000313610700009

EID výsledku v databázi Scopus

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