Response to Comment on “Insulator-metal transition in dense fluid deuterium”

Celliers, Peter M.; Millot, Marius; Brygoo, Stephanie; McWilliams, R. Stewart; Fratanduono, Dayne E.; Rygg, J. Ryan; Goncharov, Alexander F.; Loubeyre, Paul; Eggert, Jon H.; Peterson, J. Luc; Meezan, Nathan B.; Le Pape, Sebastien; Collins, Gilbert W.; Jeanloz, Raymond; Hemley, Russell J.

doi:10.1126/science.aaw1970

Title: Response to Comment on “Insulator-metal transition in dense fluid deuterium”

Abstract

In their comment, Desjarlais et al. claim that a small temperature drop occurs after isentropic compression of fluid deuterium through the first-order insulator-metal transition. We show here that their calculations do not correspond to the experimental thermodynamic path, and that thermodynamic integrations with parameters from first-principles calculations produce results in agreement with our original estimate of the temperature drop.

Authors:

^[1];

^[1]; Brygoo, Stephanie ^[2]; McWilliams, R. Stewart ^[3];

^[1];

^[4];

^[5]; Loubeyre, Paul ^[2];

^[1];

^[1]; Le Pape, Sebastien ^[1];

^[4];

^[6]; Hemley, Russell J. ^[7]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Alternative Energies and Atomic Energy Commission (CEA), Arpajon (France)
Univ. of Edinburgh, Scotland (United Kingdom). School of Physics and Astronomy. Centre for Science at Extreme Conditions
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Univ. of Rochester, NY (United States). Dept. of Mechanical Engineering, Physics and Astronomy. Lab. for Laser Energetics
Carnegie Inst. of Washington, Washington, DC (United States)
Univ. of California, Berkeley, CA (United States). Dept. of Earth and Planetary Science. Dept. of Astronomy
George Washington Univ., Washington, DC (United States). Inst. of Materials Science. Dept. of Civil and Environmental Engineering

Publication Date:: Fri Mar 22 00:00:00 EDT 2019

Research Org.:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1513164

Report Number(s):: LLNL-JRNL-763495
Journal ID: ISSN 0036-8075; 953328

Grant/Contract Number:: AC52-07NA27344

Resource Type:: Accepted Manuscript

Journal Name:: Science

Additional Journal Information:: Journal Volume: 363; Journal Issue: 6433; Journal ID: ISSN 0036-8075

Publisher:: AAAS

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Celliers, Peter M., Millot, Marius, Brygoo, Stephanie, McWilliams, R. Stewart, Fratanduono, Dayne E., Rygg, J. Ryan, Goncharov, Alexander F., Loubeyre, Paul, Eggert, Jon H., Peterson, J. Luc, Meezan, Nathan B., Le Pape, Sebastien, Collins, Gilbert W., Jeanloz, Raymond, and Hemley, Russell J. Response to Comment on “Insulator-metal transition in dense fluid deuterium”.  United States: N. p., 2019. 
Web.  doi:10.1126/science.aaw1970.

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                    Celliers, Peter M., Millot, Marius, Brygoo, Stephanie, McWilliams, R. Stewart, Fratanduono, Dayne E., Rygg, J. Ryan, Goncharov, Alexander F., Loubeyre, Paul, Eggert, Jon H., Peterson, J. Luc, Meezan, Nathan B., Le Pape, Sebastien, Collins, Gilbert W., Jeanloz, Raymond, & Hemley, Russell J. Response to Comment on “Insulator-metal transition in dense fluid deuterium”.  United States.  https://doi.org/10.1126/science.aaw1970

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                    Celliers, Peter M., Millot, Marius, Brygoo, Stephanie, McWilliams, R. Stewart, Fratanduono, Dayne E., Rygg, J. Ryan, Goncharov, Alexander F., Loubeyre, Paul, Eggert, Jon H., Peterson, J. Luc, Meezan, Nathan B., Le Pape, Sebastien, Collins, Gilbert W., Jeanloz, Raymond, and Hemley, Russell J. Fri .  
"Response to Comment on “Insulator-metal transition in dense fluid deuterium”".  United States.  https://doi.org/10.1126/science.aaw1970.  https://www.osti.gov/servlets/purl/1513164.

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@article{osti_1513164,

  title        = {Response to Comment on “Insulator-metal transition in dense fluid deuterium”},

  author       = {Celliers, Peter M. and Millot, Marius and Brygoo, Stephanie and McWilliams, R. Stewart and Fratanduono, Dayne E. and Rygg, J. Ryan and Goncharov, Alexander F. and Loubeyre, Paul and Eggert, Jon H. and Peterson, J. Luc and Meezan, Nathan B. and Le Pape, Sebastien and Collins, Gilbert W. and Jeanloz, Raymond and Hemley, Russell J.},

  abstractNote = {In their comment, Desjarlais et al. claim that a small temperature drop occurs after isentropic compression of fluid deuterium through the first-order insulator-metal transition. We show here that their calculations do not correspond to the experimental thermodynamic path, and that thermodynamic integrations with parameters from first-principles calculations produce results in agreement with our original estimate of the temperature drop.},

  doi          = {10.1126/science.aaw1970},

  journal      = {Science},

  number       = 6433,

  volume       = 363,

  place        = {United States},

  year         = {Fri Mar 22 00:00:00 EDT 2019},

  month        = {Fri Mar 22 00:00:00 EDT 2019}

}

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Works referenced in this record:

Insulator-metal transition in dense fluid deuterium
journal, August 2018

Celliers, Peter M.; Millot, Marius; Brygoo, Stephanie
Science, Vol. 361, Issue 6403
DOI: 10.1126/science.aat0970

Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations
journal, June 2010

Morales, M. A.; Pierleoni, C.; Schwegler, E.
Proceedings of the National Academy of Sciences, Vol. 107, Issue 29
DOI: 10.1073/pnas.1007309107

First-order liquid-liquid phase transition in dense hydrogen
journal, November 2010

Lorenzen, Winfried; Holst, Bastian; Redmer, Ronald
Physical Review B, Vol. 82, Issue 19
DOI: 10.1103/PhysRevB.82.195107

Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations
journal, April 2016

Pierleoni, Carlo; Morales, Miguel A.; Rillo, Giovanni
Proceedings of the National Academy of Sciences, Vol. 113, Issue 18
DOI: 10.1073/pnas.1603853113

Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium
journal, June 2015

Knudson, M. D.; Desjarlais, M. P.; Becker, A.
Science, Vol. 348, Issue 6242
DOI: 10.1126/science.aaa7471

Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations
text, January 2018

Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro
American Physical Society
DOI: 10.5167/uzh-157116

Phase diagram of hydrogen and a hydrogen-helium mixture at planetary conditions by Quantum Monte Carlo simulations
text, January 2017

Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro
ETH Zurich
DOI: 10.3929/ethz-b-000224874

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Title: Response to Comment on “Insulator-metal transition in dense fluid deuterium”

Abstract

Citation Formats

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