Thermodynamics of the insulator-metal transition in dense liquid deuterium

Desjarlais, M. P.; Knudson, M. D.; Redmer, R.

doi:10.1103/PhysRevB.101.104101

Thermodynamics of the insulator-metal transition in dense liquid deuterium

Journal Article · Mon Mar 16 00:00:00 EDT 2020 · Physical Review. B

DOI:https://doi.org/10.1103/PhysRevB.101.104101· OSTI ID:1604862

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Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

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

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1604862

Alternate ID(s):: OSTI ID: 1617311

Report Number(s):: SAND--2019-14414J; 104101

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 10 Vol. 101; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (28)

Nuclear quantum effects enter the mainstream Markland, Thomas E.; Ceriotti, Michele Nature Reviews Chemistry, Vol. 2, Issue 3 https://doi.org/10.1038/s41570-017-0109	journal	February 2018
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
Ab initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects Alfè, D.; Gillan, M. J. The Journal of Chemical Physics, Vol. 133, Issue 4 https://doi.org/10.1063/1.3466919	journal	July 2010
Molecular dynamics simulations at constant pressure and/or temperature Andersen, Hans C. The Journal of Chemical Physics, Vol. 72, Issue 4 https://doi.org/10.1063/1.439486	journal	February 1980
Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids Chandler, David; Wolynes, Peter G. The Journal of Chemical Physics, Vol. 74, Issue 7 https://doi.org/10.1063/1.441588	journal	April 1981
Study of an F center in molten KCl Parrinello, M.; Rahman, A. The Journal of Chemical Physics, Vol. 80, Issue 2 https://doi.org/10.1063/1.446740	journal	January 1984
Nonergodicity in path integral molecular dynamics Hall, Randall W.; Berne, B. J. The Journal of Chemical Physics, Vol. 81, Issue 8 https://doi.org/10.1063/1.448112	journal	October 1984
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
Evidence of a liquid-liquid phase transition in hot dense hydrogen Dzyabura, V.; Zaghoo, M.; Silvera, I. F. Proceedings of the National Academy of Sciences, Vol. 110, Issue 20 https://doi.org/10.1073/pnas.1300718110	journal	April 2013
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
Conductivity and dissociation in liquid metallic hydrogen and implications for planetary interiors Zaghoo, Mohamed; Silvera, Isaac F. Proceedings of the National Academy of Sciences, Vol. 114, Issue 45 https://doi.org/10.1073/pnas.1707918114	journal	October 2017
Optical properties of high-pressure fluid hydrogen across molecular dissociation Rillo, Giovanni; Morales, Miguel A.; Ceperley, David M. Proceedings of the National Academy of Sciences, Vol. 116, Issue 20 https://doi.org/10.1073/pnas.1818897116	journal	April 2019
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Mean-Value Point in the Brillouin Zone Baldereschi, A. Physical Review B, Vol. 7, Issue 12 https://doi.org/10.1103/PhysRevB.7.5212	journal	June 1973
Higher-accuracy van der Waals density functional Lee, Kyuho; Murray, Éamonn D.; Kong, Lingzhu Physical Review B, Vol. 82, Issue 8 https://doi.org/10.1103/PhysRevB.82.081101	journal	August 2010
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
Optical Properties of Fluid Hydrogen at the Transition to a Conducting State McWilliams, R. Stewart; Dalton, D. Allen; Mahmood, Mohammad F. Physical Review Letters, Vol. 116, Issue 25 https://doi.org/10.1103/PhysRevLett.116.255501	journal	June 2016
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Van der Waals Density Functional for General Geometries Dion, M.; Rydberg, H.; Schröder, E. Physical Review Letters, Vol. 92, Issue 24 https://doi.org/10.1103/PhysRevLett.92.246401	journal	June 2004
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
Observation of the Wigner-Huntington transition to metallic hydrogen Dias, Ranga P.; Silvera, Isaac F. Science, Vol. 355, Issue 6326 https://doi.org/10.1126/science.aal1579	journal	January 2017
Insulator-metal transition in dense fluid deuterium Celliers, Peter M.; Millot, Marius; Brygoo, Stephanie Science, Vol. 361, Issue 6403 https://doi.org/10.1126/science.aat0970	journal	August 2018
Comment on “Insulator-metal transition in dense fluid deuterium” Desjarlais, Michael P.; Knudson, Marcus D.; Redmer, Ronald Science, Vol. 363, Issue 6433 https://doi.org/10.1126/science.aaw0969	journal	March 2019
Response to Comment on “Insulator-metal transition in dense fluid deuterium” Celliers, Peter M.; Millot, Marius; Brygoo, Stephanie Science, Vol. 363, Issue 6433 https://doi.org/10.1126/science.aaw1970	journal	March 2019

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Thermodynamics of the insulator-metal transition in dense liquid deuterium

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