Thermodynamics of the insulator-metal transition in dense liquid deuterium
Abstract
Recent dynamic compression experiments [M. D. Knudson et al., Science 348, 1455 (2015); P. M. Celliers et al., Science 361, 677 (2018)] have observed the insulator-metal transition in dense liquid deuterium, but with an approximately 95-GPa difference in the quoted pressures for the transition at comparable estimated temperatures. It was claimed in the latter of these two papers that a very large latent heat effect on the temperature was overlooked in the first, requiring correction of those temperatures downward by a factor of 2, thereby putting both experiments on the same theoretical phase boundary and reconciling the pressure discrepancy. We have performed extensive path-integral molecular dynamics calculations with density functional theory to directly calculate the isentropic temperature drop due to latent heat in the insulator-metal transition for dense liquid deuterium and show that this large temperature drop is not consistent with the underlying thermodynamics.
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1604862
- Alternate Identifier(s):
- OSTI ID: 1617311
- Report Number(s):
- SAND-2019-14414J
Journal ID: ISSN 2469-9950; PRBMDO; 104101
- Grant/Contract Number:
- NA0003525; AC04-94AL85000
- Resource Type:
- Published Article
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Name: Physical Review B Journal Volume: 101 Journal Issue: 10; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; liquid-liquid phase transition; metal-insulator transition; phase transitions; pressure effects; density functional theory; molecular dynamics
Citation Formats
Desjarlais, M. P., Knudson, M. D., and Redmer, R. Thermodynamics of the insulator-metal transition in dense liquid deuterium. United States: N. p., 2020.
Web. doi:10.1103/PhysRevB.101.104101.
Desjarlais, M. P., Knudson, M. D., & Redmer, R. Thermodynamics of the insulator-metal transition in dense liquid deuterium. United States. https://doi.org/10.1103/PhysRevB.101.104101
Desjarlais, M. P., Knudson, M. D., and Redmer, R. Mon .
"Thermodynamics of the insulator-metal transition in dense liquid deuterium". United States. https://doi.org/10.1103/PhysRevB.101.104101.
@article{osti_1604862,
title = {Thermodynamics of the insulator-metal transition in dense liquid deuterium},
author = {Desjarlais, M. P. and Knudson, M. D. and Redmer, R.},
abstractNote = {Recent dynamic compression experiments [M. D. Knudson et al., Science 348, 1455 (2015); P. M. Celliers et al., Science 361, 677 (2018)] have observed the insulator-metal transition in dense liquid deuterium, but with an approximately 95-GPa difference in the quoted pressures for the transition at comparable estimated temperatures. It was claimed in the latter of these two papers that a very large latent heat effect on the temperature was overlooked in the first, requiring correction of those temperatures downward by a factor of 2, thereby putting both experiments on the same theoretical phase boundary and reconciling the pressure discrepancy. We have performed extensive path-integral molecular dynamics calculations with density functional theory to directly calculate the isentropic temperature drop due to latent heat in the insulator-metal transition for dense liquid deuterium and show that this large temperature drop is not consistent with the underlying thermodynamics.},
doi = {10.1103/PhysRevB.101.104101},
journal = {Physical Review B},
number = 10,
volume = 101,
place = {United States},
year = {2020},
month = {3}
}
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