skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions

Abstract

We discuss melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions We report a combined experimental and theoretical study of the melting curve and the structural behavior of vanadium under extreme pressure and temperature. We performed powder x-ray-diffraction experiments up to 120 GPa and 4000 K, determining the phase boundary of the body-centered cubic-to-rhombohedral transition and melting temperatures at different pressures. Melting temperatures have also been established from the observation of temperature plateaus during laser heating, and the results from the density-functional theory calculations. Results obtained from our experiments and calculations are fully consistent and lead to an accurate determination of the melting curve of vanadium. These results are discussed in comparison with previous studies. The melting temperatures determined in this study are higher than those previously obtained using the speckle method, but also considerably lower than those obtained from shockwave experiments and linear muffin-tin orbital calculations. Finally, a high-pressure, high-temperature equation of state up to 120 GPa and 2800 K has also been determined.

Authors:
 [1];  [2];  [3];  [1];  [4];  [5];  [6]
  1. Univ. of Valencia (Spain)
  2. Atomic Weapons Establishment, Reading (United Kingdom)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. Univ. of Edinburgh, Scotland (United Kingdom)
  5. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  6. European Synchrotron Radiation Facility (ESRF), Grenoble (France)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1598961
Report Number(s):
LLNL-JRNL-789108
Journal ID: ISSN 2469-9950; PRBMDO; 984567
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 100; Journal Issue: 9; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Condensed matter physics; Crystal melting; Pressure effects; X-ray powder diffraction

Citation Formats

Errandonea, D, MacLeod, S G, Burakovsky, L, Santamaria-Perez, D, Proctor, J E, Cynn, H, and Mezouar, M. Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions. United States: N. p., 2019. Web. https://doi.org/10.1103/PhysRevB.100.094111.
Errandonea, D, MacLeod, S G, Burakovsky, L, Santamaria-Perez, D, Proctor, J E, Cynn, H, & Mezouar, M. Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions. United States. https://doi.org/10.1103/PhysRevB.100.094111
Errandonea, D, MacLeod, S G, Burakovsky, L, Santamaria-Perez, D, Proctor, J E, Cynn, H, and Mezouar, M. Mon . "Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions". United States. https://doi.org/10.1103/PhysRevB.100.094111. https://www.osti.gov/servlets/purl/1598961.
@article{osti_1598961,
title = {Melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions},
author = {Errandonea, D and MacLeod, S G and Burakovsky, L and Santamaria-Perez, D and Proctor, J E and Cynn, H and Mezouar, M},
abstractNote = {We discuss melting curve and phase diagram of vanadium under high-pressure and high-temperature conditions We report a combined experimental and theoretical study of the melting curve and the structural behavior of vanadium under extreme pressure and temperature. We performed powder x-ray-diffraction experiments up to 120 GPa and 4000 K, determining the phase boundary of the body-centered cubic-to-rhombohedral transition and melting temperatures at different pressures. Melting temperatures have also been established from the observation of temperature plateaus during laser heating, and the results from the density-functional theory calculations. Results obtained from our experiments and calculations are fully consistent and lead to an accurate determination of the melting curve of vanadium. These results are discussed in comparison with previous studies. The melting temperatures determined in this study are higher than those previously obtained using the speckle method, but also considerably lower than those obtained from shockwave experiments and linear muffin-tin orbital calculations. Finally, a high-pressure, high-temperature equation of state up to 120 GPa and 2800 K has also been determined.},
doi = {10.1103/PhysRevB.100.094111},
journal = {Physical Review B},
number = 9,
volume = 100,
place = {United States},
year = {2019},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 6 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Laser heated diamond cell system at the Advanced Photon Source for in situ x-ray measurements at high pressure and temperature
journal, January 2001

  • Shen, Guoyin; Rivers, Mark L.; Wang, Yanbin
  • Review of Scientific Instruments, Vol. 72, Issue 2
  • DOI: 10.1063/1.1343867

High-pressure/high-temperature phase diagram of zinc
journal, June 2018

  • Errandonea, D.; MacLeod, S. G.; Ruiz-Fuertes, J.
  • Journal of Physics: Condensed Matter, Vol. 30, Issue 29
  • DOI: 10.1088/1361-648X/aacac0

Melting of tantalum at high pressure determined by angle dispersive x-ray diffraction in a double-sided laser-heated diamond-anvil cell
journal, October 2003

  • Errandonea, D.; Somayazulu, M.; Häusermann, D.
  • Journal of Physics: Condensed Matter, Vol. 15, Issue 45
  • DOI: 10.1088/0953-8984/15/45/003

Analysis of dislocation mechanism for melting of elements: Pressure dependence
journal, December 2000

  • Burakovsky, Leonid; Preston, Dean L.; Silbar, Richard R.
  • Journal of Applied Physics, Vol. 88, Issue 11
  • DOI: 10.1063/1.1323535

High Melting Points of Tantalum in a Laser-Heated Diamond Anvil Cell
journal, June 2010


X-ray diffraction measurements of Mo melting to 119 GPa and the high pressure phase diagram
journal, March 2009

  • Santamaría-Pérez, D.; Ross, M.; Errandonea, D.
  • The Journal of Chemical Physics, Vol. 130, Issue 12
  • DOI: 10.1063/1.3082030

Mechanical and optical properties of vanadium under shock picosecond loads
journal, February 2015


High-Pressure—High-Temperature Polymorphism in Ta: Resolving an Ongoing Experimental Controversy
journal, June 2010


Equations of state of MgO, Au, Pt, NaCl-B1, and NaCl-B2: Internally consistent high-temperature pressure scales
journal, December 2007


In situ characterization of the high pressure – high temperature melting curve of platinum
journal, September 2019


The melting curve of ten metals up to 12 GPa and 1600 K
journal, August 2010

  • Errandonea, Daniel
  • Journal of Applied Physics, Vol. 108, Issue 3
  • DOI: 10.1063/1.3468149

Microstructures define melting of molybdenum at high pressures
journal, March 2017

  • Hrubiak, Rostislav; Meng, Yue; Shen, Guoyin
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14562

Systematics of transition-metal melting
journal, March 2001


Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K
journal, January 1978


Structural phase transition in vanadium at high pressure and high temperature: Influence of nonhydrostatic conditions
journal, February 2011


High-pressure melting curves of the transition metals Cu, Ni, Pd, and Pt
journal, February 2013


Compression curves of transition metals in the Mbar range: Experiments and projector augmented-wave calculations
journal, September 2008


Double-sided laser heating system for in situ high pressure–high temperature monochromatic x-ray diffraction at the esrf
journal, March 2005


Thermal equation of state to 33.5 GPa and 1673 K and thermodynamic properties of tungsten
journal, April 2013

  • Litasov, Konstantin D.; Gavryushkin, Pavel N.; Dorogokupets, Peter I.
  • Journal of Applied Physics, Vol. 113, Issue 13
  • DOI: 10.1063/1.4799018

Melting of LiF and NaCl to 1 Mbar: Systematics of Ionic Solids at Extreme Conditions
journal, June 1997


Sound velocity variations and melting of vanadium under shock compression
journal, October 2001

  • Dai, Chengda; Jin, Xiaogang; Zhou, Xianming
  • Journal of Physics D: Applied Physics, Vol. 34, Issue 20
  • DOI: 10.1088/0022-3727/34/20/310

Observation of chemical reactions between alkaline-earth oxides and tungsten at high pressure and high temperature
journal, July 2009


Melting properties from ab initio free energy calculations: Iron at the Earth's inner-core boundary
journal, December 2018


Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase
journal, April 2008


Melting, density, and anisotropy of iron at core conditions: new x-ray measurements to 150 GPa
journal, July 2008


Kohn Anomaly and Phase Stability in Group VB Transition Metals
journal, March 2018


Can metals be a liquid glass?
journal, March 2009


Pressure—Temperature Phase Diagram of Iron to 200 kbar, 900°C
journal, February 1965


Laser shock-induced spalling and fragmentation in vanadium
journal, August 2010


High-temperature equation of state of vanadium
journal, January 2016


Phase diagram of calcium at high pressure and high temperature
journal, August 2018


Melting curve of elemental zirconium
journal, August 2019


Ab initio phase stability at high temperatures and pressures in the V-Cr system
journal, January 2014


Melting of transition metals at high pressure and the influence of liquid frustration: The early metals Ta and Mo
journal, November 2007


Ab initio phase diagram of iridium
journal, September 2016


The melting curve of Ni to 1 Mbar
journal, December 2014


X-ray diffraction measurements of plasticity in shock-compressed vanadium in the region of 10–70 GPa
journal, July 2017

  • Foster, J. M.; Comley, A. J.; Case, G. S.
  • Journal of Applied Physics, Vol. 122, Issue 2
  • DOI: 10.1063/1.4994167

Molecular dynamics study of melting of the bcc metal vanadium. I. Mechanical melting
journal, November 2003


Fermi surface nesting and pre-martensitic softening in V and Nb at high pressures
journal, May 2006


Shear-induced anisotropic plastic flow from body-centred-cubic tantalum before melting
journal, January 2009

  • Wu, Christine J.; Söderlind, Per; Glosli, James N.
  • Nature Materials, Vol. 8, Issue 3
  • DOI: 10.1038/nmat2375

Rigid muffin-tin calculation of the elastic shear constants of bcc transition metals
journal, December 1988


Structural Phase Transition of Vanadium at 69 GPa
journal, February 2007


Bemerkungen zur Schmelzdruckkurve
journal, January 1929

  • Simon, Franz; Glatzel, Gunther
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 178, Issue 1
  • DOI: 10.1002/zaac.19291780123

POWDER CELL – a program for the representation and manipulation of crystal structures and calculation of the resulting X-ray powder patterns
journal, June 1996


Melting of Iron at Earth's Inner Core Boundary Based on Fast X-ray Diffraction
journal, April 2013


Equation of State for Nineteen Metallic Elements from Shock‐Wave Measurements to Two Megabars
journal, July 1960

  • McQueen, R. G.; Marsh, S. P.
  • Journal of Applied Physics, Vol. 31, Issue 7
  • DOI: 10.1063/1.1735815

High-pressure melting behavior of tin up to 105 GPa
journal, February 2017


Phonon triggered rhombohedral lattice distortion in vanadium at high pressure
journal, August 2016

  • Antonangeli, Daniele; Farber, Daniel L.; Bosak, Alexei
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep31887

Ab initio melting curve of molybdenum by the phase coexistence method
journal, May 2007

  • Cazorla, C.; Gillan, M. J.; Taioli, S.
  • The Journal of Chemical Physics, Vol. 126, Issue 19
  • DOI: 10.1063/1.2735324

Stability of rhombohedral phases in vanadium at high-pressure and high-temperature: first-principles investigations
journal, September 2016

  • Wang, Yi X.; Wu, Q.; Chen, Xiang R.
  • Scientific Reports, Vol. 6, Issue 1
  • DOI: 10.1038/srep32419

Temperature dependence of the phonon entropy of vanadium
journal, December 2001


    Works referencing / citing this record:

    Reentrant melting of sodium, magnesium, and aluminum: General trend
    journal, October 2019


    Topological Equivalence of the Phase Diagrams of Molybdenum and Tungsten
    journal, January 2020