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Critical vaporization of MgSiO(3)

Inhomogeneous ab initio molecular dynamics simulations show that vaporization of MgSiO(3) is incongruent and that the vapor phase is dominated by SiO and O(2) molecules. The vapor is strongly depleted in Mg at low temperature and approaches the composition of the liquid near the critical point. We f...

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Detalles Bibliográficos
Autores principales: Xiao, Bing, Stixrude, Lars
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6003494/
https://www.ncbi.nlm.nih.gov/pubmed/29735670
http://dx.doi.org/10.1073/pnas.1719134115
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author Xiao, Bing
Stixrude, Lars
author_facet Xiao, Bing
Stixrude, Lars
author_sort Xiao, Bing
collection PubMed
description Inhomogeneous ab initio molecular dynamics simulations show that vaporization of MgSiO(3) is incongruent and that the vapor phase is dominated by SiO and O(2) molecules. The vapor is strongly depleted in Mg at low temperature and approaches the composition of the liquid near the critical point. We find that the liquid–vapor critical temperature ([Formula: see text] K) is much lower than assumed in hydrodynamic simulations, pointing to much more extensive supercritical fluid after the Moon-forming impact than previously thought. The structure of the near-critical liquid is very different from what has been studied previously and includes a significant fraction (10%) of molecular species SiO and O(2).
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spelling pubmed-60034942018-06-18 Critical vaporization of MgSiO(3) Xiao, Bing Stixrude, Lars Proc Natl Acad Sci U S A Physical Sciences Inhomogeneous ab initio molecular dynamics simulations show that vaporization of MgSiO(3) is incongruent and that the vapor phase is dominated by SiO and O(2) molecules. The vapor is strongly depleted in Mg at low temperature and approaches the composition of the liquid near the critical point. We find that the liquid–vapor critical temperature ([Formula: see text] K) is much lower than assumed in hydrodynamic simulations, pointing to much more extensive supercritical fluid after the Moon-forming impact than previously thought. The structure of the near-critical liquid is very different from what has been studied previously and includes a significant fraction (10%) of molecular species SiO and O(2). National Academy of Sciences 2018-05-22 2018-05-07 /pmc/articles/PMC6003494/ /pubmed/29735670 http://dx.doi.org/10.1073/pnas.1719134115 Text en Copyright © 2018 the Author(s). Published by PNAS. https://creativecommons.org/licenses/by-nc-nd/4.0/ This open access article is distributed under Creative Commons Attribution-NonCommercial-NoDerivatives License 4.0 (CC BY-NC-ND) (https://creativecommons.org/licenses/by-nc-nd/4.0/) .
spellingShingle Physical Sciences
Xiao, Bing
Stixrude, Lars
Critical vaporization of MgSiO(3)
title Critical vaporization of MgSiO(3)
title_full Critical vaporization of MgSiO(3)
title_fullStr Critical vaporization of MgSiO(3)
title_full_unstemmed Critical vaporization of MgSiO(3)
title_short Critical vaporization of MgSiO(3)
title_sort critical vaporization of mgsio(3)
topic Physical Sciences
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6003494/
https://www.ncbi.nlm.nih.gov/pubmed/29735670
http://dx.doi.org/10.1073/pnas.1719134115
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