Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 92 to 100 GPa [Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 90 to 100 GPa (1 megabar)]
Abstract
Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). As a result, the tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1342023
- Report Number(s):
- LLNL-JRNL-686936
Journal ID: ISSN 0047-2689; TRN: US1701342
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Journal Article: Accepted Manuscript
- Journal Name:
- Journal of Physical and Chemical Reference Data
- Additional Journal Information:
- Journal Volume: 45; Journal Issue: 4; Journal ID: ISSN 0047-2689
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; chemical elements; equation of state; high pressure; isotherms; megabar chemistry; periodic table
Citation Formats
Young, David A., Cynn, Hyunchae, Soderlind, Per, and Landa, Alexander. Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 92 to 100 GPa [Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 90 to 100 GPa (1 megabar)]. United States: N. p., 2016.
Web. doi:10.1063/1.4963086.
Young, David A., Cynn, Hyunchae, Soderlind, Per, & Landa, Alexander. Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 92 to 100 GPa [Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 90 to 100 GPa (1 megabar)]. United States. https://doi.org/10.1063/1.4963086
Young, David A., Cynn, Hyunchae, Soderlind, Per, and Landa, Alexander. 2016.
"Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 92 to 100 GPa [Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 90 to 100 GPa (1 megabar)]". United States. https://doi.org/10.1063/1.4963086. https://www.osti.gov/servlets/purl/1342023.
@article{osti_1342023,
title = {Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 92 to 100 GPa [Zero-Kelvin compression isotherms of the elements 1 ≤ Z ≤ 90 to 100 GPa (1 megabar)]},
author = {Young, David A. and Cynn, Hyunchae and Soderlind, Per and Landa, Alexander},
abstractNote = {Most of the chemical elements have now been compressed close to or above 100 GPa (1 Mbar) pressure in diamond-anvil cells and the pressure–volume room-temperature isotherms have been measured. We collect these data and use simple lattice-dynamics models to reduce the isotherms to 0 K. We have extended the published work by making new diamond-anvil-cell measurements on Cr and Rh, and by conducting density-functional calculations on the elements Po, At, Rn, Fr, Ra, and Ac. The 0 K data are tabulated for all elements 1 ≤ Z ≤ 92 and 0 ≤ P ≤ 100 GPa. These data are useful for generating wide-range equation of state models and for studying the stability of chemical compounds at high pressure (“Megabar chemistry”). As a result, the tables presented here are intended to be reference thermodynamic tables for use in high-pressure research. Further experimental and theoretical work will be needed to extend the tables to higher pressure and to improve accuracy.},
doi = {10.1063/1.4963086},
url = {https://www.osti.gov/biblio/1342023},
journal = {Journal of Physical and Chemical Reference Data},
issn = {0047-2689},
number = 4,
volume = 45,
place = {United States},
year = {Mon Oct 24 00:00:00 EDT 2016},
month = {Mon Oct 24 00:00:00 EDT 2016}
}
Web of Science
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- Physical Review Letters, Vol. 82, Issue 8
Cold melting and solid structures of dense lithium
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Crystal structure of sulfur and selenium at pressures up to 160 GPa
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Refinement of the equation of state of -uranium
journal, October 2013
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X-Ray Diffraction Study of Electronic Transitions in Cesium Under High Pressure.
journal, October 1983
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High-pressure x-ray diffraction on potassium and rubidium up to 50 GPa
text, January 1994
- Winzenick, Markus; Vijayakumar, Viswanalhan; Holzapfel, Wilfried B.
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Atomic volumes of rare-earth metals under pressures to 40 GPa and above
text, January 1992
- Grosshans, W. A.; Holzapfel, W. B.
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
High-pressure structural phase transitions in tellurium
text, January 1988
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- Deutsches Elektronen-Synchrotron, DESY, Hamburg
Effect of pressure on the atomic volume of Ga and Tl up to 68 GPa
text, January 1997
- Schulte, Olaf; Holzapfel, Wilfried B.
- Deutsches Elektronen-Synchrotron, DESY, Hamburg
An analytic model of the Gruneisen parameter at all densities
text, January 2002
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Refinement of the equation of state of tantalum
text, January 2004
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Works referencing / citing this record:
Melting curve of vanadium up to 470 GPa simulated by ab initio molecular dynamics
journal, November 2019
- Zhang, Tingting; Wang, Shuaichuang; Song, Haifeng
- Journal of Applied Physics, Vol. 126, Issue 20
Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme‐Pressure Polarizable Continuum Model
journal, September 2018
- Cammi, Roberto; Chen, Bo; Rahm, Martin
- Journal of Computational Chemistry, Vol. 39, Issue 26