Nucleation pathways in barium silicate glasses

Abstract Nucleation is generally viewed as a structural fluctuation that passes a critical size to eventually become a stable emerging new phase. However, this concept leaves out many details, such as changes in cluster composition and competing pathways to the new phase. In this work, both experime...

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Autores principales:	Matthew E. McKenzie, Binghui Deng, D. C. Van Hoesen, Xinsheng Xia, David E. Baker, Aram Rezikyan, Randall E. Youngman, K. F. Kelton
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/f5f3f34f264947b089d4a35e8f3b4525
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spelling	oai:doaj.org-article:f5f3f34f264947b089d4a35e8f3b45252021-12-02T15:13:10ZNucleation pathways in barium silicate glasses10.1038/s41598-020-79749-22045-2322https://doaj.org/article/f5f3f34f264947b089d4a35e8f3b45252021-01-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-79749-2https://doaj.org/toc/2045-2322Abstract Nucleation is generally viewed as a structural fluctuation that passes a critical size to eventually become a stable emerging new phase. However, this concept leaves out many details, such as changes in cluster composition and competing pathways to the new phase. In this work, both experimental and computer modeling studies are used to understand the cluster composition and pathways. Monte Carlo and molecular dynamics approaches are used to analyze the thermodynamic and kinetic contributions to the nucleation landscape in barium silicate glasses. Experimental techniques examine the resulting polycrystals that form. Both the modeling and experimental data indicate that a silica rich core plays a dominant role in the nucleation process.Matthew E. McKenzieBinghui DengD. C. Van HoesenXinsheng XiaDavid E. BakerAram RezikyanRandall E. YoungmanK. F. KeltonNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-15 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Matthew E. McKenzie Binghui Deng D. C. Van Hoesen Xinsheng Xia David E. Baker Aram Rezikyan Randall E. Youngman K. F. Kelton Nucleation pathways in barium silicate glasses
description	Abstract Nucleation is generally viewed as a structural fluctuation that passes a critical size to eventually become a stable emerging new phase. However, this concept leaves out many details, such as changes in cluster composition and competing pathways to the new phase. In this work, both experimental and computer modeling studies are used to understand the cluster composition and pathways. Monte Carlo and molecular dynamics approaches are used to analyze the thermodynamic and kinetic contributions to the nucleation landscape in barium silicate glasses. Experimental techniques examine the resulting polycrystals that form. Both the modeling and experimental data indicate that a silica rich core plays a dominant role in the nucleation process.
format	article
author	Matthew E. McKenzie Binghui Deng D. C. Van Hoesen Xinsheng Xia David E. Baker Aram Rezikyan Randall E. Youngman K. F. Kelton
author_facet	Matthew E. McKenzie Binghui Deng D. C. Van Hoesen Xinsheng Xia David E. Baker Aram Rezikyan Randall E. Youngman K. F. Kelton
author_sort	Matthew E. McKenzie
title	Nucleation pathways in barium silicate glasses
title_short	Nucleation pathways in barium silicate glasses
title_full	Nucleation pathways in barium silicate glasses
title_fullStr	Nucleation pathways in barium silicate glasses
title_full_unstemmed	Nucleation pathways in barium silicate glasses
title_sort	nucleation pathways in barium silicate glasses
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/f5f3f34f264947b089d4a35e8f3b4525
work_keys_str_mv	AT matthewemckenzie nucleationpathwaysinbariumsilicateglasses AT binghuideng nucleationpathwaysinbariumsilicateglasses AT dcvanhoesen nucleationpathwaysinbariumsilicateglasses AT xinshengxia nucleationpathwaysinbariumsilicateglasses AT davidebaker nucleationpathwaysinbariumsilicateglasses AT aramrezikyan nucleationpathwaysinbariumsilicateglasses AT randalleyoungman nucleationpathwaysinbariumsilicateglasses AT kfkelton nucleationpathwaysinbariumsilicateglasses
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Nucleation pathways in barium silicate glasses

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