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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en)
Title	Rings in covalent glass and an evaluation of configurational entropy associated with rings Rings in covalent glass and an evaluation of configurational entropy associated with rings (en)
skos:prefLabel	Rings in covalent glass and an evaluation of configurational entropy associated with rings Rings in covalent glass and an evaluation of configurational entropy associated with rings (en)
skos:notation	RIV/60461373:22310/13:43896850!RIV14-GA0-22310___
http://linked.open...avai/predkladatel	Fakulta chemické technologie
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(GA104/09/1269)
http://linked.open...iv/cisloPeriodika	leden
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Gedeon, Ondrej
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	102967
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/13:43896850
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Molecular dynamics; Glass transition; Ring distribution; Glass topology; Configurational entropy (en)
http://linked.open.../riv/klicoveSlovo	Molecular dynamics Glass transition Configurational entropy Glass topology Ring distribution
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[0E92854B5028]
http://linked.open...i/riv/nazevZdroje	Journal of Non-crystalline Solids
http://linked.open...in/vavai/riv/obor	JH
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Changes in structure and properties of silicate glass irradiated with high-energy particles
http://linked.open...UplatneniVysledku	2013
http://linked.open...v/svazekPeriodika	360
http://linked.open...iv/tvurceVysledku	Gedeon, Ondrej Liška, Marek
http://linked.open...ain/vavai/riv/wos	000313610700009
issn	0022-3093
number of pages	8 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.jnoncrysol.2012.10.011
http://localhost/t...ganizacniJednotka	22310

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