Local structure in dense hydrogen at the liquid-liquid phase transition by coupled electron-ion Monte Carlo

Pierleoni, Carlo; Holzmann, Markus; Ceperley, David M.

doi:10.1002/ctpp.201700184

Title: Local structure in dense hydrogen at the liquid-liquid phase transition by coupled electron-ion Monte Carlo

Journal Article · Wed Dec 27 00:00:00 EST 2017 · Contributions to Plasma Physics

DOI:https://doi.org/10.1002/ctpp.201700184· OSTI ID:1537550

Pierleoni, Carlo ^[1]; Holzmann, Markus ^[2]; Ceperley, David M. ^[3]

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

Not provided.

Cite

Export

Save

Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

DOE Contract Number:: NA0001789

OSTI ID:: 1537550

Journal Information:: Contributions to Plasma Physics, Vol. 58, Issue 2-3; ISSN 0863-1042

Publisher:: Wiley

Country of Publication:: United States

Language:: English

References (20)

The properties of hydrogen and helium under extreme conditions McMahon, Jeffrey M.; Morales, Miguel A.; Pierleoni, Carlo Reviews of Modern Physics, Vol. 84, Issue 4 https://doi.org/10.1103/RevModPhys.84.1607	journal	November 2012
Coupled electron-ion Monte Carlo simulation of hydrogen molecular crystals Rillo, Giovanni; Morales, Miguel A.; Ceperley, David M. The Journal of Chemical Physics, Vol. 148, Issue 10 https://doi.org/10.1063/1.5001387	journal	March 2018
Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium Knudson, M. D.; Desjarlais, M. P.; Becker, A. Science, Vol. 348, Issue 6242 https://doi.org/10.1126/science.aaa7471	journal	June 2015
Phase boundary of hot dense fluid hydrogen Ohta, Kenji; Ichimaru, Kota; Einaga, Mari Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep16560	journal	November 2015
Evidence of a first-order phase transition to metallic hydrogen Zaghoo, Mohamed; Salamat, Ashkan; Silvera, Isaac F. Physical Review B, Vol. 93, Issue 15 https://doi.org/10.1103/PhysRevB.93.155128	journal	April 2016
First-order liquid-liquid phase transition in dense hydrogen Lorenzen, Winfried; Holst, Bastian; Redmer, Ronald Physical Review B, Vol. 82, Issue 19 https://doi.org/10.1103/PhysRevB.82.195107	journal	November 2010
Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure Morales, Miguel A.; McMahon, Jeffrey M.; Pierleoni, Carlo Physical Review Letters, Vol. 110, Issue 6 https://doi.org/10.1103/PhysRevLett.110.065702	journal	February 2013
Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations Morales, M. A.; Pierleoni, C.; Schwegler, E. Proceedings of the National Academy of Sciences, Vol. 107, Issue 29 https://doi.org/10.1073/pnas.1007309107	journal	June 2010
Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations Pierleoni, Carlo; Morales, Miguel A.; Rillo, Giovanni Proceedings of the National Academy of Sciences, Vol. 113, Issue 18 https://doi.org/10.1073/pnas.1603853113	journal	April 2016
Thermophysical properties of warm dense hydrogen using quantum molecular dynamics simulations Holst, Bastian; Redmer, Ronald; Desjarlais, Michael P. Physical Review B, Vol. 77, Issue 18 https://doi.org/10.1103/PhysRevB.77.184201	journal	May 2008
Hydrogen-helium mixtures in the interiors of giant planets Vorberger, J.; Tamblyn, I.; Militzer, B. Physical Review B, Vol. 75, Issue 2 https://doi.org/10.1103/PhysRevB.75.024206	journal	January 2007
Backflow correlations for the electron gas and metallic hydrogen Holzmann, M.; Ceperley, D. M.; Pierleoni, C. Physical Review E, Vol. 68, Issue 4 https://doi.org/10.1103/PhysRevE.68.046707	journal	October 2003
Effects of backflow correlation in the three-dimensional electron gas: Quantum Monte Carlo study Kwon, Yongkyung; Ceperley, D. M.; Martin, Richard M. Physical Review B, Vol. 58, Issue 11 https://doi.org/10.1103/PhysRevB.58.6800	journal	September 1998
First Principles Methods: A Perspective from Quantum Monte Carlo Morales, Miguel; Clay, Raymond; Pierleoni, Carlo Entropy, Vol. 16, Issue 1 https://doi.org/10.3390/e16010287	journal	December 2013
Trial wave functions for high-pressure metallic hydrogen Pierleoni, Carlo; Delaney, Kris T.; Morales, Miguel A. Computer Physics Communications, Vol. 179, Issue 1-3 https://doi.org/10.1016/j.cpc.2008.01.041	journal	July 2008
Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids Holzmann, Markus; Clay, Raymond C.; Morales, Miguel A. Physical Review B, Vol. 94, Issue 3 https://doi.org/10.1103/PhysRevB.94.035126	journal	July 2016
Critical point and mechanism of the fluid–fluid phase transition in warm dense hydrogen Norman, G. E.; Saitov, I. M. Doklady Physics, Vol. 62, Issue 6 https://doi.org/10.1134/S1028335817060088	journal	June 2017
Ionization of molecules at the fluid–fluid phase transition in warm dense hydrogen Norman, G. E.; Saitov, I. M. Doklady Physics, Vol. 62, Issue 6 https://doi.org/10.1134/S1028335817060118	journal	June 2017
A topological study of chemical bonds under pressure: solid hydrogen as a model case Riffet, Vanessa; Labet, Vanessa; Contreras-García, Julia Phys. Chem. Chem. Phys., Vol. 19, Issue 38 https://doi.org/10.1039/C7CP04349J	journal	January 2017
The Widom line as the crossover between liquid-like and gas-like behaviour in supercritical fluids Simeoni, G. G.; Bryk, T.; Gorelli, F. A. Nature Physics, Vol. 6, Issue 7 https://doi.org/10.1038/nphys1683	journal	June 2010

Similar Records

Local structure in dense hydrogen at the liquid–liquid phase transition by coupled electron–ion Monte Carlo

Journal Article · Wed Dec 27 00:00:00 EST 2017 · Contributions to Plasma Physics · OSTI ID:1537550

Pierleoni, Carlo; Holzmann, Markus; Ceperley, David M.

Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations

Journal Article · Wed Apr 20 00:00:00 EDT 2016 · Proceedings of the National Academy of Sciences of the United States of America · OSTI ID:1537550

Pierleoni, Carlo; Morales, Miguel A.; Rillo, Giovanni; +2 more

Molecular-Atomic Transition along the Deuterium Hugoniot Curve with Coupled Electron-Ion Monte Carlo Simulations

Journal Article · Wed Jul 22 00:00:00 EDT 2015 · Physical Review Letters · OSTI ID:1537550

Tubman, Norm M.; Liberatore, Elisa; Pierleoni, Carlo; +2 more

Related Subjects

Physics

Title: Local structure in dense hydrogen at the liquid-liquid phase transition by coupled electron-ion Monte Carlo

Citation Formats

References (20)

Similar Records

Related Subjects