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Distinct Metallization and Atomization Transitions in Dense Liquid Hydrogen

Mazzola G
•
Sorella, Sandro
2015
  • journal article

Periodico
PHYSICAL REVIEW LETTERS
Abstract
We perform molecular dynamics simulations driven by accurate quantum Monte Carlo forces on dense liquid hydrogen. There is a recent report of a complete atomization transition between a mixed molecular-atomic liquid and a completely dissociated fluid in an almost unaccessible pressure range [Nat. Commun. 5, 3487 (2014)]. Here, instead, we identify a different transition between the fully molecular liquid and the mixed-atomic fluid at ∼400 GPa, i.e., in a much more interesting pressure range. We provide numerical evidence supporting the metallic behavior of this intermediate phase. Therefore, we predict that the metallization at finite temperature occurs in this partially dissociated molecular fluid, well before the complete atomization of the liquid. At high temperature this first-order transition becomes a crossover, in very good agreement with the experimental observation. Several systematic tests supporting the quality of our large scale calculations are also reported.
DOI
10.1103/PhysRevLett.114.105701
WOS
WOS:000350966800012
Archivio
http://hdl.handle.net/20.500.11767/14802
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84925424653
https://arxiv.org/abs/1411.6433
Diritti
metadata only access
Soggetti
  • hydrogen metallizatio...

  • quantum monte carlo

  • molecular dynamics

  • Settore FIS/03 - Fisi...

Scopus© citazioni
40
Data di acquisizione
Jun 2, 2022
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Web of Science© citazioni
39
Data di acquisizione
Mar 20, 2024
Visualizzazioni
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Data di acquisizione
Apr 19, 2024
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