Local structure in dense hydrogen at the liquid–liquid phase transition by coupled electron–ion Monte Carlo
Abstract
We present a study of the local structure of high‐pressure hydrogen around the liquid–liquid transition line based on results from the coupled electron–ion Monte Carlo method. We report results for the equation of state and for the radial distribution function between protons g ( r ) and results from a cluster analysis to detect the possible formation of stable molecular ions beyond the transition line as well as above the critical temperature. We discuss various estimates for the molecular fraction in both phases and show that, although the presence of ions is suggested by the form of the g ( r ), they are not stable against thermal fluctuations.
- Authors:
-
- Department of Physical and Chemical Sciences University of L'Aquila Italy, Maison de la Simulation, CEA, CNRS, Univ. Paris‐Sud, UVSQ Université Paris‐Saclay Gif‐sur‐Yvette France
- LPMMC, UMR 5493 of CNRS Université Grenoble Alpes France, Institut Laue‐Langevin Grenoble Cedex 9 France
- Department of Physics University of Illinois Urbana‐Champaign Champaign Illinois USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1414962
- Grant/Contract Number:
- NA DE‐NA0001789
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Contributions to Plasma Physics
- Additional Journal Information:
- Journal Name: Contributions to Plasma Physics Journal Volume: 58 Journal Issue: 2-3; Journal ID: ISSN 0863-1042
- Publisher:
- Wiley Blackwell (John Wiley & Sons)
- Country of Publication:
- Germany
- Language:
- English
Citation Formats
Pierleoni, Carlo, Holzmann, Markus, and Ceperley, David M. Local structure in dense hydrogen at the liquid–liquid phase transition by coupled electron–ion Monte Carlo. Germany: N. p., 2017.
Web. doi:10.1002/ctpp.201700184.
Pierleoni, Carlo, Holzmann, Markus, & Ceperley, David M. Local structure in dense hydrogen at the liquid–liquid phase transition by coupled electron–ion Monte Carlo. Germany. https://doi.org/10.1002/ctpp.201700184
Pierleoni, Carlo, Holzmann, Markus, and Ceperley, David M. Wed .
"Local structure in dense hydrogen at the liquid–liquid phase transition by coupled electron–ion Monte Carlo". Germany. https://doi.org/10.1002/ctpp.201700184.
@article{osti_1414962,
title = {Local structure in dense hydrogen at the liquid–liquid phase transition by coupled electron–ion Monte Carlo},
author = {Pierleoni, Carlo and Holzmann, Markus and Ceperley, David M.},
abstractNote = {We present a study of the local structure of high‐pressure hydrogen around the liquid–liquid transition line based on results from the coupled electron–ion Monte Carlo method. We report results for the equation of state and for the radial distribution function between protons g ( r ) and results from a cluster analysis to detect the possible formation of stable molecular ions beyond the transition line as well as above the critical temperature. We discuss various estimates for the molecular fraction in both phases and show that, although the presence of ions is suggested by the form of the g ( r ), they are not stable against thermal fluctuations.},
doi = {10.1002/ctpp.201700184},
journal = {Contributions to Plasma Physics},
number = 2-3,
volume = 58,
place = {Germany},
year = {Wed Dec 27 00:00:00 EST 2017},
month = {Wed Dec 27 00:00:00 EST 2017}
}
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https://doi.org/10.1002/ctpp.201700184
https://doi.org/10.1002/ctpp.201700184
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Cited by: 21 works
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