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Predicted reentrant melting of dense hydrogen at ultra-high pressures

The phase diagram of hydrogen is one of the most important challenges in high-pressure physics and astrophysics. Especially, the melting of dense hydrogen is complicated by dimer dissociation, metallization and nuclear quantum effect of protons, which together lead to a cold melting of dense hydroge...

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Autores principales: Geng, Hua Y., Wu, Q.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5105149/
https://www.ncbi.nlm.nih.gov/pubmed/27834405
http://dx.doi.org/10.1038/srep36745
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author Geng, Hua Y.
Wu, Q.
author_facet Geng, Hua Y.
Wu, Q.
author_sort Geng, Hua Y.
collection PubMed
description The phase diagram of hydrogen is one of the most important challenges in high-pressure physics and astrophysics. Especially, the melting of dense hydrogen is complicated by dimer dissociation, metallization and nuclear quantum effect of protons, which together lead to a cold melting of dense hydrogen when above 500 GPa. Nonetheless, the variation of the melting curve at higher pressures is virtually uncharted. Here we report that using ab initio molecular dynamics and path integral simulations based on density functional theory, a new atomic phase is discovered, which gives an uplifting melting curve of dense hydrogen when beyond 2 TPa, and results in a reentrant solid-liquid transition before entering the Wigner crystalline phase of protons. The findings greatly extend the phase diagram of dense hydrogen, and put metallic hydrogen into the group of alkali metals, with its melting curve closely resembling those of lithium and sodium.
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spelling pubmed-51051492016-11-17 Predicted reentrant melting of dense hydrogen at ultra-high pressures Geng, Hua Y. Wu, Q. Sci Rep Article The phase diagram of hydrogen is one of the most important challenges in high-pressure physics and astrophysics. Especially, the melting of dense hydrogen is complicated by dimer dissociation, metallization and nuclear quantum effect of protons, which together lead to a cold melting of dense hydrogen when above 500 GPa. Nonetheless, the variation of the melting curve at higher pressures is virtually uncharted. Here we report that using ab initio molecular dynamics and path integral simulations based on density functional theory, a new atomic phase is discovered, which gives an uplifting melting curve of dense hydrogen when beyond 2 TPa, and results in a reentrant solid-liquid transition before entering the Wigner crystalline phase of protons. The findings greatly extend the phase diagram of dense hydrogen, and put metallic hydrogen into the group of alkali metals, with its melting curve closely resembling those of lithium and sodium. Nature Publishing Group 2016-11-11 /pmc/articles/PMC5105149/ /pubmed/27834405 http://dx.doi.org/10.1038/srep36745 Text en Copyright © 2016, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Geng, Hua Y.
Wu, Q.
Predicted reentrant melting of dense hydrogen at ultra-high pressures
title Predicted reentrant melting of dense hydrogen at ultra-high pressures
title_full Predicted reentrant melting of dense hydrogen at ultra-high pressures
title_fullStr Predicted reentrant melting of dense hydrogen at ultra-high pressures
title_full_unstemmed Predicted reentrant melting of dense hydrogen at ultra-high pressures
title_short Predicted reentrant melting of dense hydrogen at ultra-high pressures
title_sort predicted reentrant melting of dense hydrogen at ultra-high pressures
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5105149/
https://www.ncbi.nlm.nih.gov/pubmed/27834405
http://dx.doi.org/10.1038/srep36745
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