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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 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}
}

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Cited by: 21 works
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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


Analytical calculation of pressure for confined atomic and molecular systems using the eXtreme‐Pressure Polarizable Continuum Model
journal, September 2018