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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
National Academy of Sciences
2018
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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). |
format | Online Article Text |
id | pubmed-6003494 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | National Academy of Sciences |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT xiaobing criticalvaporizationofmgsio3 AT stixrudelars criticalvaporizationofmgsio3 |