Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Local structure of molten AuGa2 under pressure: Evidence for coordination change and planetary implications

Abstract

In situ x-ray diffraction measurements and inverse Monte Carlo simulations of pair distribution functions were used to characterize the local structure of molten AuGa2 up to 16 GPa and 940 K. Our results document systematic changes in liquid structure due to a combination of bond compression and coordination increase. Empirical potential structure refinement shows the first-neighbor coordination of Ga around Au and of Au around Ga to increase from about 8 to 10 and 4 to 5, respectively between 0 and 16 GPa, and the inferred changes in liquid structure can explain the observed melting-point depression of AuGa2 up to 5 GPa. As intermetallic AuGa2 is an analogue for metallic SiO2 at much higher pressures, our results imply that structural changes documented for non-metallic silicate melts below 100 GPa are followed by additional coordination changes in the metallic state at pressures in the 0.2-1 TPa range achieved inside large planets.

Authors:
 [1];  [2];  [3];  [2]
+ Show Author Affiliations
  1. Hacettepe Univ, Ankara (Turkey); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Univ. of California, Berkeley, CA (United States)
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1436513
Alternate Identifier(s):
OSTI ID: 1462006
Grant/Contract Number:  
NA0002198; AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 79 ASTRONOMY AND ASTROPHYSICS; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Kalkan, Bora, Godwal, Budhiram, Raju, Selva Vennila, and Jeanloz, Raymond. Local structure of molten AuGa2 under pressure: Evidence for coordination change and planetary implications. United States: N. p., 2018. Web. doi:10.1038/s41598-018-25297-9.
Copy to clipboard
Kalkan, Bora, Godwal, Budhiram, Raju, Selva Vennila, & Jeanloz, Raymond. Local structure of molten AuGa2 under pressure: Evidence for coordination change and planetary implications. United States. https://doi.org/10.1038/s41598-018-25297-9
Copy to clipboard
Kalkan, Bora, Godwal, Budhiram, Raju, Selva Vennila, and Jeanloz, Raymond. Tue . "Local structure of molten AuGa2 under pressure: Evidence for coordination change and planetary implications". United States. https://doi.org/10.1038/s41598-018-25297-9. https://www.osti.gov/servlets/purl/1436513.
Copy to clipboard
@article{osti_1436513,
title = {Local structure of molten AuGa2 under pressure: Evidence for coordination change and planetary implications},
author = {Kalkan, Bora and Godwal, Budhiram and Raju, Selva Vennila and Jeanloz, Raymond},
abstractNote = {In situ x-ray diffraction measurements and inverse Monte Carlo simulations of pair distribution functions were used to characterize the local structure of molten AuGa2 up to 16 GPa and 940 K. Our results document systematic changes in liquid structure due to a combination of bond compression and coordination increase. Empirical potential structure refinement shows the first-neighbor coordination of Ga around Au and of Au around Ga to increase from about 8 to 10 and 4 to 5, respectively between 0 and 16 GPa, and the inferred changes in liquid structure can explain the observed melting-point depression of AuGa2 up to 5 GPa. As intermetallic AuGa2 is an analogue for metallic SiO2 at much higher pressures, our results imply that structural changes documented for non-metallic silicate melts below 100 GPa are followed by additional coordination changes in the metallic state at pressures in the 0.2-1 TPa range achieved inside large planets.},
doi = {10.1038/s41598-018-25297-9},
journal = {Scientific Reports},
number = 1,
volume = 8,
place = {United States},
year = {2018},
month = {5}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1038/s41598-018-25297-9
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Figures / Tables:

Table 1 Table 1: Pressures measured during heating for individual experimental runs, with C, O and M representing cubic (fluorite), orthorhombic (cotunnite) and monoclinic (“post-cotunnite”) phases. Uncertainties in pressure and temperature are up to ±2 GPa and ±5 K.
All figures and tables (10 total)
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Spectroscopic Evidence for Pressure-Induced Coordination Changes in Silicate Glasses and Melts
journal, February 1988

Polyamorphism and Pressure-Induced Metallization at the Rigidity Percolation Threshold in Densified GeSe 4 Glass
journal, March 2014

  • Kalkan, Bora; Dias, Ranga P.; Yoo, Choong-Shik
  • The Journal of Physical Chemistry C, Vol. 118, Issue 10
  • DOI: 10.1021/jp4108602

Formation and Structure of a Dense Octahedral Glass
journal, September 2004

Study of liquid gallium at high pressure using synchrotron x-ray
journal, June 2012

  • Yu, Tony; Chen, Jiuhua; Ehm, Lars
  • Journal of Applied Physics, Vol. 111, Issue 11
  • DOI: 10.1063/1.4726256

Fusion behavior and phase changes at high pressures in some intermetallic compounds with fluorite structure
journal, August 1966

  • Storm, A. B.; Wernick, J. H.; Jayaraman, A.
  • Journal of Physics and Chemistry of Solids, Vol. 27, Issue 8
  • DOI: 10.1016/0022-3697(66)90005-9

The Post-Cotunnite Phase in BaCl2, BaBr2 and BaI2 under High Pressure
journal, August 1995

Prediction of 10-fold coordinated TiO 2 and SiO 2 structures at multimegabar pressures
journal, May 2015

  • Lyle, Matthew J.; Pickard, Chris J.; Needs, Richard J.
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 22
  • DOI: 10.1073/pnas.1500604112

Beyond sixfold coordinated Si in SiO 2 glass at ultrahigh pressures
journal, September 2017

  • Prescher, Clemens; Prakapenka, Vitali B.; Stefanski, Johannes
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 38
  • DOI: 10.1073/pnas.1708882114

Anharmonic properties: Ionic model of the effects of compression and coordination change
journal, December 1982

  • Jeanloz, Raymond; Roufosse, Micheline
  • Journal of Geophysical Research: Solid Earth, Vol. 87, Issue B13
  • DOI: 10.1029/JB087iB13p10763

Electrical conductivity of SiO 2 at extreme conditions and planetary dynamos
journal, August 2017

  • Scipioni, Roberto; Stixrude, Lars; Desjarlais, Michael P.
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 34
  • DOI: 10.1073/pnas.1704762114

Structure and Freezing of MgSiO3 Liquid in Earth's Lower Mantle
journal, October 2005

High-pressure structural changes in liquid silica
journal, September 2016

Defects in a Disordered World: The Structure of Glassy GeSe 2
journal, March 2000

Evidence for a Phase Transition in Silicate Melt at Extreme Pressure and Temperature Conditions
journal, February 2012

Melting curve of SiO2 at multimegabar pressures: implications for gas giants and super-Earths
journal, May 2016

  • González-Cataldo, Felipe; Davis, Sergio; Gutiérrez, Gonzalo
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep26537

On the nature of pressure-induced coordination changes in silicate melts and glasses
journal, December 1987

  • Stolper, Edward M.; Ahrens, Thomas J.
  • Geophysical Research Letters, Vol. 14, Issue 12
  • DOI: 10.1029/GL014i012p01231

Structural change in molten basalt at deep mantle conditions
journal, November 2013

  • Sanloup, Chrystèle; Drewitt, James W. E.; Konôpková, Zuzana
  • Nature, Vol. 503, Issue 7474
  • DOI: 10.1038/nature12668

Prevalence of Earth-size planets orbiting Sun-like stars
journal, November 2013

  • Petigura, E. A.; Howard, A. W.; Marcy, G. W.
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 48
  • DOI: 10.1073/pnas.1319909110

A beamline for high-pressure studies at the Advanced Light Source with a superconducting bending magnet as the source
journal, August 2005

  • Kunz, Martin; MacDowell, Alastair A.; Caldwell, Wendel A.
  • Journal of Synchrotron Radiation, Vol. 12, Issue 5
  • DOI: 10.1107/S0909049505020959

Chain breakage in liquid sulfur at high pressures and high temperatures
journal, May 2014

Shock compression of stishovite and melting of silica at planetary interior conditions
journal, January 2015

High-pressure x-ray diffraction of SiO 2 glass
journal, August 1992

Structural studies and polymorphism in amorphous solids and liquids at high pressure
journal, January 2006

  • Wilding, Martin C.; Wilson, Mark; McMillan, Paul F.
  • Chemical Society Reviews, Vol. 35, Issue 10
  • DOI: 10.1039/b517775h

High-pressure structural transformation of SiO 2 glass up to 100 GPa
journal, November 2010

Two-dimensional detector software: From real detector to idealised image or two-theta scan
journal, January 1996

  • Hammersley, A. P.; Svensson, S. O.; Hanfland, M.
  • High Pressure Research, Vol. 14, Issue 4-6, p. 235-248
  • DOI: 10.1080/08957959608201408

Local structure of liquid gallium under pressure
journal, July 2017

    Sort by:
    [ × clear filter / sort ]

    Figures / Tables found in this record:

    Table 1 (p. 14)table
    Table 2 (p. 15)table
    Figure 1 (p. 16)figure
    Figure 2 (p. 17)figure
    Figure 3 (p. 18)figure
    Figure 4 (p. 19)figure
    Figure 5 (p. 20)figure
    Figure 6 (p. 21)figure
    Figure 7 (p. 22)figure
    Figure 8 (p. 23)figure
      [ × clear filter / sort ]
      Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.

      Similar Records in DOE PAGES and OSTI.GOV collections: