Local structure of liquid gallium under pressure

Abstract In situ high energy X-ray pair distribution function (PDF) measurements, microtomography and reverse Monte Carlo simulations were used to characterize the local structure of liquid gallium up to 1.9 GPa. This pressure range includes the well-known solid-solid phase transition from Ga-I to G...

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Autores principales:	Renfeng Li, Luhong Wang, Liangliang Li, Tony Yu, Haiyan Zhao, Karena W. Chapman, Yanbin Wang, Mark L. Rivers, Peter J. Chupas, Ho-kwang Mao, Haozhe Liu
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/508b00fc4b2e43e5b54b03146120d69d
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spelling	oai:doaj.org-article:508b00fc4b2e43e5b54b03146120d69d2021-12-02T15:06:13ZLocal structure of liquid gallium under pressure10.1038/s41598-017-05985-82045-2322https://doaj.org/article/508b00fc4b2e43e5b54b03146120d69d2017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-05985-8https://doaj.org/toc/2045-2322Abstract In situ high energy X-ray pair distribution function (PDF) measurements, microtomography and reverse Monte Carlo simulations were used to characterize the local structure of liquid gallium up to 1.9 GPa. This pressure range includes the well-known solid-solid phase transition from Ga-I to Ga-II at low temperature. In term of previous research, the local structure of liquid gallium within this domain was suggested a mixture of two local structures, Ga I and Ga II, based on fitting experimental PDF to known crystal structure, with a controversy. However, our result shows a distinctly different result that the local structure of liquid gallium resembles the atomic arrangement of both gallium phase II and III (the high pressure crystalline phase). A melting mechanism is proposed for Ga, in which the atomic structure of phase Ι breaks up at the onset of melting, providing sufficient free volume for atoms to rearrange, to form the melt.Renfeng LiLuhong WangLiangliang LiTony YuHaiyan ZhaoKarena W. ChapmanYanbin WangMark L. RiversPeter J. ChupasHo-kwang MaoHaozhe LiuNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Renfeng Li Luhong Wang Liangliang Li Tony Yu Haiyan Zhao Karena W. Chapman Yanbin Wang Mark L. Rivers Peter J. Chupas Ho-kwang Mao Haozhe Liu Local structure of liquid gallium under pressure
description	Abstract In situ high energy X-ray pair distribution function (PDF) measurements, microtomography and reverse Monte Carlo simulations were used to characterize the local structure of liquid gallium up to 1.9 GPa. This pressure range includes the well-known solid-solid phase transition from Ga-I to Ga-II at low temperature. In term of previous research, the local structure of liquid gallium within this domain was suggested a mixture of two local structures, Ga I and Ga II, based on fitting experimental PDF to known crystal structure, with a controversy. However, our result shows a distinctly different result that the local structure of liquid gallium resembles the atomic arrangement of both gallium phase II and III (the high pressure crystalline phase). A melting mechanism is proposed for Ga, in which the atomic structure of phase Ι breaks up at the onset of melting, providing sufficient free volume for atoms to rearrange, to form the melt.
format	article
author	Renfeng Li Luhong Wang Liangliang Li Tony Yu Haiyan Zhao Karena W. Chapman Yanbin Wang Mark L. Rivers Peter J. Chupas Ho-kwang Mao Haozhe Liu
author_facet	Renfeng Li Luhong Wang Liangliang Li Tony Yu Haiyan Zhao Karena W. Chapman Yanbin Wang Mark L. Rivers Peter J. Chupas Ho-kwang Mao Haozhe Liu
author_sort	Renfeng Li
title	Local structure of liquid gallium under pressure
title_short	Local structure of liquid gallium under pressure
title_full	Local structure of liquid gallium under pressure
title_fullStr	Local structure of liquid gallium under pressure
title_full_unstemmed	Local structure of liquid gallium under pressure
title_sort	local structure of liquid gallium under pressure
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/508b00fc4b2e43e5b54b03146120d69d
work_keys_str_mv	AT renfengli localstructureofliquidgalliumunderpressure AT luhongwang localstructureofliquidgalliumunderpressure AT liangliangli localstructureofliquidgalliumunderpressure AT tonyyu localstructureofliquidgalliumunderpressure AT haiyanzhao localstructureofliquidgalliumunderpressure AT karenawchapman localstructureofliquidgalliumunderpressure AT yanbinwang localstructureofliquidgalliumunderpressure AT marklrivers localstructureofliquidgalliumunderpressure AT peterjchupas localstructureofliquidgalliumunderpressure AT hokwangmao localstructureofliquidgalliumunderpressure AT haozheliu localstructureofliquidgalliumunderpressure
_version_	1718388510934695936

Local structure of liquid gallium under pressure

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