Materials Today Communications, Volume (32), No (10), Year (2022-8) , Pages (104153-104160)

Title : ( Configurational entropy as a simple input data for glass science and engineering )

Authors: ZAHRA MOLLAEE , Farzad Kermani , Mohsen Kahani , Fatemeh Moosavi , Sahar Mollazadeh Beidokhti , Jalil Vahdati Khaki ,

Citation: BibTeX | EndNote

Abstract

The current study seeks to propose new input data for glass science and engineering based on the simple calculations of the configurational entropy. Initially, the configurational entropy of the 15,000 silicate-based glasses with different amounts of alkali or alkaline earth oxide additives (10, 15, and 25 mol%), which were extracted from the SciGlass database, was calculated using SConf = − R∑x i=1xilnxi formula. In the mentioned formula, SConf is the configurational entropy, R is the gas onstant, and xi is the molar fraction of i element. Then, the relation between entropy and glass properties was theoretically investigated in three conditions. The results indicated that the entropy of the studied glasses is in the range of 0.03R to 2.15R. The results showed positive or negative slopes in the ntropy-Tg curves for different glass compositions. The found reasons behind the various trends between the entropy and Tg in SiO2-MO2 and SiO2-NO glasses (MO2 and NO are related to alkali and alkaline earth oxides, respectively) could be related to changing the concentrations of non-bridging oxygens, increasing the entropy, and changing the melting points. Also, as can be found from the data, in the SiO2-MO2-NO systems,the reason for different relations of entropy and Tg is related to the slope sign (positive or negative) of SiO2-MO2 and SiO2-NO systems. In conclusion, configurational entropy was proposed as a new input for investigating the glass compound properties. Also, the authors hope that the proposed input data will be considered a new parameter for designing different glass compositions

Keywords

, Configurational entropy Glass properties Glass transition temperature Melting point Non, bridging oxygen Glass design
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@article{paperid:1091317,
author = {MOLLAEE, ZAHRA and Kermani, Farzad and Kahani, Mohsen and Moosavi, Fatemeh and Mollazadeh Beidokhti, Sahar and Vahdati Khaki, Jalil},
title = {Configurational entropy as a simple input data for glass science and engineering},
journal = {Materials Today Communications},
year = {2022},
volume = {32},
number = {10},
month = {August},
issn = {2352-4928},
pages = {104153--104160},
numpages = {7},
keywords = {Configurational entropy Glass properties Glass transition temperature Melting point Non-bridging oxygen Glass design},
}

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%0 Journal Article
%T Configurational entropy as a simple input data for glass science and engineering
%A MOLLAEE, ZAHRA
%A Kermani, Farzad
%A Kahani, Mohsen
%A Moosavi, Fatemeh
%A Mollazadeh Beidokhti, Sahar
%A Vahdati Khaki, Jalil
%J Materials Today Communications
%@ 2352-4928
%D 2022

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