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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:
ORCiD logo [1]; ORCiD logo [1];  [2];  [3]; ORCiD logo [1]; ORCiD logo [4]; ORCiD logo [5];  [2]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [1]; ORCiD logo [4]; ORCiD logo [6];  [7]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Alternative Energies and Atomic Energy Commission (CEA), Arpajon (France)
  3. Univ. of Edinburgh, Scotland (United Kingdom). School of Physics and Astronomy. Centre for Science at Extreme Conditions
  4. 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
  5. Carnegie Inst. of Washington, Washington, DC (United States)
  6. Univ. of California, Berkeley, CA (United States). Dept. of Earth and Planetary Science. Dept. of Astronomy
  7. George Washington Univ., Washington, DC (United States). Inst. of Materials Science. Dept. of Civil and Environmental Engineering
Publication Date:
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.
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. doi:10.1126/science.aaw1970.
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. doi:10.1126/science.aaw1970.
@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 = {2019},
month = {3}
}

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Works referenced in this record:

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


Evidence for a first-order liquid-liquid transition in high-pressure hydrogen from ab initio simulations
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Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations
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First-order liquid-liquid phase transition in dense hydrogen
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Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations
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Direct observation of an abrupt insulator-to-metal transition in dense liquid deuterium
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