Medium range order and configurational entropy of vitreous silica

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F18%3A43917258" target="_blank" >RIV/60461373:22310/18:43917258 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.13036/17533562.59.1.007" target="_blank" >http://dx.doi.org/10.13036/17533562.59.1.007</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.13036/17533562.59.1.007" target="_blank" >10.13036/17533562.59.1.007</a>

Result language

angličtina

Original language name

Medium range order and configurational entropy of vitreous silica

Original language description

Two potential sets and three thermodynamic regimes were utilized in molecular dynamics simulations in the preparation of the corresponding structures of vitreous silica. Medium range order characterized by means of basic ring distributions is robust to both thermodynamic conditions and/or potentials sets. A strong correlation between topology and geometry is demonstrated; the correlation is much stronger for simple clusters/small rings. Configurational entropy was evaluated by the ideal mixing of the structural units of the decomposed silica network. Entropy responds to alterations in the heating/cooling rates and its behaviour yields an excellent agreement with the experimental specific heat capacity drops observed at the glass transition. It is suggested the glass transition of the simulated glass should be identified with the change of entropy and not with a change of enthalpy as is conventionally done.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

20504 - Ceramics

Project

<a href="/en/project/GA15-12580S" target="_blank" >GA15-12580S: Silicate glass modified with electron beams</a><br>

Continuities

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

Publication year

2018

Confidentiality

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

Name of the periodical

Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B

ISSN

1753-3562

e-ISSN

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Volume of the periodical

59

Issue of the periodical within the volume

1

Country of publishing house

GB - UNITED KINGDOM

Number of pages

7

Pages from-to

27-33

UT code for WoS article

000427329400003

EID of the result in the Scopus database

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