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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)]

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:
 [1];  [1];  [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (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. doi:10.1063/1.4963086.
Young, David A., Cynn, Hyunchae, Soderlind, Per, and Landa, Alexander. Mon . "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. doi: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},
journal = {Journal of Physical and Chemical Reference Data},
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}
}

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Works referenced in this record:

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Analysis of shockless dynamic compression data on solids to multi-megabar pressures: Application to tantalum
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  • Davis, Jean-Paul; Brown, Justin L.; Knudson, Marcus D.
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