High pressure stability of β-Zr: no evidence for isostructural phase transitions
Abstract
Isostructural transitions have been reported to occur in several pure elements; however, most of these have been disproven. Zr is one of those elements which remains controversial with two reports of an isostructural bcc-to-bcc transition at ~56–60 GPa at an ambient temperature and a more recent report proposing a second bcc-to-bcc transition at 110 GPa. Here, we report a detailed experimental and theoretical study of zirconium in the pressure region of the proposed isostructural transition(s). We conducted three room temperature static compression experiments using Ne as a pressure transmitting medium up to 80 GPa. We see no evidence for an isostructural transition finding a smooth compression curve for β-Zr. We determined the theoretical volume, elastic parameters, and Poisson’s ratio for β-Zr up to 717 GPa and no obvious anomalies are identified. Our new results join the growing body of evidence that does not find evidence of isostructural transitions in β-Zr.
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC); Lawrence Livermore National Laboratory - Laboratory Directed Research and Development (LDRD); USDOE National Nuclear Security Administration (NNSA) - Office of Experimental Sciences (NA-113)
- OSTI Identifier:
- 1829011
- Alternate Identifier(s):
- OSTI ID: 1841731
- Report Number(s):
- LLNL-JRNL-822199
Journal ID: ISSN 0895-7959; 1034378
- Grant/Contract Number:
- AC52-07NA27344; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- High Pressure Research
- Additional Journal Information:
- Journal Volume: 41; Journal Issue: 3; Journal ID: ISSN 0895-7959
- Publisher:
- Taylor & Francis
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Diamond anvil cell; high pressure; isostructural phase transition; X-ray diffraction
Citation Formats
O’Bannon, E. F., Söderlind, P., Sneed, D. S., Lipp, M. J., Cynn, H., Smith, J. S., Park, C., and Jenei, Zs. High pressure stability of β-Zr: no evidence for isostructural phase transitions. United States: N. p., 2021.
Web. doi:10.1080/08957959.2021.1957863.
O’Bannon, E. F., Söderlind, P., Sneed, D. S., Lipp, M. J., Cynn, H., Smith, J. S., Park, C., & Jenei, Zs. High pressure stability of β-Zr: no evidence for isostructural phase transitions. United States. https://doi.org/10.1080/08957959.2021.1957863
O’Bannon, E. F., Söderlind, P., Sneed, D. S., Lipp, M. J., Cynn, H., Smith, J. S., Park, C., and Jenei, Zs. Fri .
"High pressure stability of β-Zr: no evidence for isostructural phase transitions". United States. https://doi.org/10.1080/08957959.2021.1957863. https://www.osti.gov/servlets/purl/1829011.
@article{osti_1829011,
title = {High pressure stability of β-Zr: no evidence for isostructural phase transitions},
author = {O’Bannon, E. F. and Söderlind, P. and Sneed, D. S. and Lipp, M. J. and Cynn, H. and Smith, J. S. and Park, C. and Jenei, Zs},
abstractNote = {Isostructural transitions have been reported to occur in several pure elements; however, most of these have been disproven. Zr is one of those elements which remains controversial with two reports of an isostructural bcc-to-bcc transition at ~56–60 GPa at an ambient temperature and a more recent report proposing a second bcc-to-bcc transition at 110 GPa. Here, we report a detailed experimental and theoretical study of zirconium in the pressure region of the proposed isostructural transition(s). We conducted three room temperature static compression experiments using Ne as a pressure transmitting medium up to 80 GPa. We see no evidence for an isostructural transition finding a smooth compression curve for β-Zr. We determined the theoretical volume, elastic parameters, and Poisson’s ratio for β-Zr up to 717 GPa and no obvious anomalies are identified. Our new results join the growing body of evidence that does not find evidence of isostructural transitions in β-Zr.},
doi = {10.1080/08957959.2021.1957863},
journal = {High Pressure Research},
number = 3,
volume = 41,
place = {United States},
year = {Fri Jul 30 00:00:00 EDT 2021},
month = {Fri Jul 30 00:00:00 EDT 2021}
}
Works referenced in this record:
The crystal structure and the equation of state of cerium metal in the pressure range 0–46 Gpa
journal, December 1985
- Olsen, J. Staun; Gerward, L.; Benedict, U.
- Physica B+C, Vol. 133, Issue 2-3
Incompressibility of osmium metal at ultrahigh pressures and temperatures
journal, May 2010
- Armentrout, Matt M.; Kavner, Abby
- Journal of Applied Physics, Vol. 107, Issue 9
A universal equation of state for solids
journal, July 1986
- Vinet, P.; Ferrante, J.; Smith, J. R.
- Journal of Physics C: Solid State Physics, Vol. 19, Issue 20
Hydrostatic Experiments up to Ultrahigh Pressures
journal, January 2007
- Takemura, Kenichi
- Journal of the Physical Society of Japan, Vol. 76, Issue Suppl.A
Ultrahigh-pressure isostructural electronic transitions in hydrogen
journal, September 2019
- Ji, Cheng; Li, Bing; Liu, Wenjun
- Nature, Vol. 573, Issue 7775
High-temperature experiments using a resistively heated high-pressure membrane diamond anvil cell
journal, September 2013
- Jenei, Zsolt; Cynn, Hyunchae; Visbeck, Ken
- Review of Scientific Instruments, Vol. 84, Issue 9
Analysis of nonhydrostatic high-pressure diffraction data (cubic system): Assessment of various assumptions in the theory
journal, August 2009
- Singh, Anil K.
- Journal of Applied Physics, Vol. 106, Issue 4
Equation of state of orthorhombic boron, -B28
journal, September 2009
- Godec, Yann Le; Kurakevych, Oleksandr O.; Munsch, Pascal
- Solid State Communications, Vol. 149, Issue 33-34
Finite Elastic Strain of Cubic Crystals
journal, June 1947
- Birch, Francis
- Physical Review, Vol. 71, Issue 11
Strength and Debye temperature measurements of cerium across the γ → α volume collapse: the lattice contribution
journal, July 2013
- Lipp, M. J.; Kono, Y.; Jenei, Zs
- Journal of Physics: Condensed Matter, Vol. 25, Issue 34
Toward an internally consistent pressure scale
journal, May 2007
- Fei, Y.; Ricolleau, A.; Frank, M.
- Proceedings of the National Academy of Sciences, Vol. 104, Issue 22
Calculation of the Phase Diagram of Zr in a Simple Model
journal, June 1997
- Ostanin, S. A.; Trubitsin, V. Yu.
- physica status solidi (b), Vol. 201, Issue 2
Thermal Signatures of the Kondo Volume Collapse in Cerium
journal, October 2008
- Lipp, M. J.; Jackson, D.; Cynn, H.
- Physical Review Letters, Vol. 101, Issue 16
Pressure-induced isostructural phase transformation in
journal, November 2010
- Zarechnaya, Evgeniya; Dubrovinskaia, Natalia; Caracas, Razvan
- Physical Review B, Vol. 82, Issue 18
Phase transitions and equation of state of zirconium under high pressure
journal, November 2020
- Anzellini, Simone; Bottin, François; Bouchet, Johann
- Physical Review B, Vol. 102, Issue 18
Pressurizing conditions in helium-pressure-transmitting medium
journal, December 2007
- Dewaele, Agnès; Loubeyre, Paul
- High Pressure Research, Vol. 27, Issue 4
The ultrahigh pressure stability of silver: An experimental and theoretical study
journal, March 2021
- O’Bannon, E. F.; Lipp, M. J.; Smith, J. S.
- Journal of Applied Physics, Vol. 129, Issue 12
Lifshitz transitions and elastic properties of osmium under pressure
journal, December 2006
- Koudela, Daniela; Richter, Manuel; Möbius, Arnulf
- Physical Review B, Vol. 74, Issue 21
The Compressibility of Media under Extreme Pressures
journal, September 1944
- Murnaghan, F. D.
- Proceedings of the National Academy of Sciences, Vol. 30, Issue 9
Diffusionless Phase Transition in Polycrystalline and Single-Crystal Cerium
journal, February 2011
- Decremps, F.; Belhadi, L.; Farber, D. L.
- Physical Review Letters, Vol. 106, Issue 6
Comparative review of theoretical and experimental equations of state of orthorhombic boron γ-B28
journal, December 2011
- Le Godec, Y.
- Journal of Superhard Materials, Vol. 33, Issue 6
Watching a metal collapse: Examining cerium’s γ↔α transformation using X-ray diffraction of compressed single and polycrystals
journal, September 2011
- Moore, K. T.; Belhadi, L.; Decremps, F.
- Acta Materialia, Vol. 59, Issue 15
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015
- Prescher, Clemens; Prakapenka, Vitali B.
- High Pressure Research, Vol. 35, Issue 3
Ultrahigh-pressure scales for gold and platinum at pressures up to 550 GPa
journal, September 2009
- Yokoo, Manabu; Kawai, Nobuaki; Nakamura, Kazutaka G.
- Physical Review B, Vol. 80, Issue 10
First-principles study of osmium under high pressure
journal, September 2006
- Liang, Yongcheng; Fang, Zhong
- Journal of Physics: Condensed Matter, Vol. 18, Issue 39
The Compressibility and Pressure Coefficient of Resistance of Ten Elements
journal, January 1927
- Bridgman, P. W.
- Proceedings of the American Academy of Arts and Sciences, Vol. 62, Issue 8
Hydrostaticity in high pressure experiments: some general observations and guidelines for high pressure experimenters
journal, March 2021
- Takemura, K.
- High Pressure Research, Vol. 41, Issue 2
First-principles investigations on elastic and thermodynamic properties of zirconium under pressure
journal, August 2012
- Zhang, Suhong; Zhang, Xinyu; Zhu, Yan
- Computational Materials Science, Vol. 61
Zirconium under pressure: phase transitions and thermodynamics
journal, January 2006
- Schnell, I.; Albers, R. C.
- Journal of Physics: Condensed Matter, Vol. 18, Issue 5
Experimental Evidence for a High-Pressure Isostructural Phase Transition in Osmium
journal, August 2004
- Occelli, Florent; Farber, Daniel L.; Badro, James
- Physical Review Letters, Vol. 93, Issue 9
X-ray diffraction from solids under nonhydrostatic compression—some recent studies
journal, August 2004
- Singh, Anil K.
- Journal of Physics and Chemistry of Solids, Vol. 65, Issue 8-9
High pressure–high temperature equations of state of neon and diamond
journal, March 2008
- Dewaele, Agnès; Datchi, Frédéric; Loubeyre, Paul
- Physical Review B, Vol. 77, Issue 9, Article No. 094106
Bulk modulus of osmium: High-pressure powder x-ray diffraction experiments under quasihydrostatic conditions
journal, July 2004
- Kenichi, Takemura
- Physical Review B, Vol. 70, Issue 1
Analysis of lattice strains measured under nonhydrostatic pressure
journal, June 1998
- Singh, Anil K.; Balasingh, C.; Mao, Ho-kwang
- Journal of Applied Physics, Vol. 83, Issue 12
Anharmonicity-induced first-order isostructural phase transition of zirconium under pressure
journal, December 2018
- Stavrou, Elissaios; Yang, Lin H.; Söderlind, Per
- Physical Review B, Vol. 98, Issue 22
Cascading crystallographic transitions α → ω → β → β’→ β" and melting curve of elemental zirconium
journal, July 2021
- Gal, Joseph
- Physica B: Condensed Matter, Vol. 613
Equations of state of six metals above
journal, September 2004
- Dewaele, Agnès; Loubeyre, Paul; Mezouar, Mohamed
- Physical Review B, Vol. 70, Issue 9
Diamond anvil cell behavior up to 4 Mbar
journal, February 2018
- Li, Bing; Ji, Cheng; Yang, Wenge
- Proceedings of the National Academy of Sciences, Vol. 115, Issue 8
Elasticity, shear strength, and equation of state of molybdenum and gold from x-ray diffraction under nonhydrostatic compression to 24 GPa
journal, December 1999
- Duffy, Thomas S.; Shen, Guoyin; Shu, Jinfu
- Journal of Applied Physics, Vol. 86, Issue 12
New high-pressure phase transition in zirconium metal
journal, January 1990
- Xia, Hui; Duclos, Steven J.; Ruoff, Arthur L.
- Physical Review Letters, Vol. 64, Issue 2
Isosymmetric structural phase transitions: phenomenology and examples
journal, October 1995
- Christy, A. G.
- Acta Crystallographica Section B Structural Science, Vol. 51, Issue 5, p. 753-757
An assessment of diamond anvil cell measurements on material strength
journal, June 2013
- Vignes, Ryan M.; Becker, Richard; Stölken, James
- Journal of Applied Physics, Vol. 113, Issue 21
Bulk modulus of across the ice VII–ice X transition measured by time-resolved x-ray diffraction in dynamic diamond anvil cell experiments
journal, February 2021
- Méndez, A. S. J.; Trybel, F.; Husband, R. J.
- Physical Review B, Vol. 103, Issue 6
Finite element design of diamond anvils
journal, January 1987
- Moss, William C.; Goettel, Kenneth A.
- Applied Physics Letters, Vol. 50, Issue 1
Assessing Relativistic Effects and Electron Correlation in the Actinide Metals Th to Pu
journal, November 2019
- Sadigh, Babak; Kutepov, Andrey; Landa, Alexander
- Applied Sciences, Vol. 9, Issue 23
High Pressure Polymorphism in Cesium
journal, December 1964
- Hall, H. T.; Merrill, L.; Barnett, J. D.
- Science, Vol. 146, Issue 3649
Yield strength of MgO to 40 GPa
journal, January 1988
- Meade, Charles; Jeanloz, Raymond
- Journal of Geophysical Research, Vol. 93, Issue B4
First-principles calculations of phase transition, elastic modulus, and superconductivity under pressure for zirconium
journal, March 2011
- Wang, Bao-Tian; Zhang, Peng; Liu, Han-Yu
- Journal of Applied Physics, Vol. 109, Issue 6
High-pressure behavior of osmium: An analog for iron in Earth’s core
journal, June 2012
- Godwal, B. K.; Yan, J.; Clark, S. M.
- Journal of Applied Physics, Vol. 111, Issue 11
Establishing gold and platinum standards to 1 terapascal using shockless compression
journal, June 2021
- Fratanduono, D. E.; Millot, M.; Braun, D. G.
- Science, Vol. 372, Issue 6546
Complex Crystal Structure of Cesium-III
journal, November 2001
- McMahon, M. I.; Nelmes, R. J.; Rekhi, S.
- Physical Review Letters, Vol. 87, Issue 25
High-Pressure X-Ray Diffraction Study on Electronic s - d Transition in Zirconium
journal, October 1991
- Akahama, Yuichi; Kobayashi, Mototada; Kawamura, Haruki
- Journal of the Physical Society of Japan, Vol. 60, Issue 10
X-ray Emission Spectroscopy of Cerium Across the Volume Collapse Transition
journal, November 2012
- Lipp, M. J.; Sorini, A. P.; Bradley, J.
- Physical Review Letters, Vol. 109, Issue 19
Anomalous elastic properties across the γ to α volume collapse in cerium
journal, October 2017
- Lipp, Magnus J.; Jenei, Zs.; Cynn, H.
- Nature Communications, Vol. 8, Issue 1
Measurement and analysis of nonhydrostatic lattice strain component in niobium to 145 GPa under various fluid pressure-transmitting media
journal, October 2001
- Singh, Anil K.; Kenichi, Takemura
- Journal of Applied Physics, Vol. 90, Issue 7
Influence of impurities on the α to ω phase transition in zirconium under dynamic loading conditions
journal, December 2009
- Rigg, P. A.; Greeff, C. W.; Knudson, M. D.
- Journal of Applied Physics, Vol. 106, Issue 12
Isothermal equation of state for gold with a He-pressure medium
journal, September 2008
- Takemura, K.; Dewaele, A.
- Physical Review B, Vol. 78, Issue 10
Isomorphic γ→α phase transition of cerium under shock compression
journal, January 1999
- Pavlovskii, M. N.; Komissarov, V. V.; Kutsar, A. R.
- Combustion, Explosion, and Shock Waves, Vol. 35, Issue 1
Theoretical analysis of the isostructural transition in Zr at 53 GPa
journal, November 1994
- Jyoti, G.; Gupta, S. C.
- Journal of Physics: Condensed Matter, Vol. 6, Issue 47
Relativistic effects, phonons, and the isostructural transition in cesium
journal, October 1979
- Glötzel, D.; McMahan, A. K.
- Physical Review B, Vol. 20, Issue 8
Ab initio calculations of the thermodynamics and phase diagram of zirconium
journal, October 2008
- Hao, Yan-Jun; Zhang, Lin; Chen, Xiang-Rong
- Physical Review B, Vol. 78, Issue 13
Density-functional study of the U–Zr system
journal, June 2009
- Landa, Alex; Söderlind, Per; Turchi, Patrice E. A.
- Journal of Alloys and Compounds, Vol. 478, Issue 1-2
The high-pressure phase of boron, γ-B28: Disputes and conclusions of 5 years after discovery
journal, December 2011
- Oganov, A. R.; Solozhenko, V. L.; Gatti, C.
- Journal of Superhard Materials, Vol. 33, Issue 6
Phase changes and the equation of state of Zr
journal, August 2005
- Greeff, C. W.
- Modelling and Simulation in Materials Science and Engineering, Vol. 13, Issue 7
The lattice strains in a specimen (cubic system) compressed nonhydrostatically in an opposed anvil device
journal, May 1993
- Singh, Anil K.
- Journal of Applied Physics, Vol. 73, Issue 9
Kondo Volume Collapse and the Transition in Cerium
journal, October 1982
- Allen, J. W.; Martin, Richard M.
- Physical Review Letters, Vol. 49, Issue 15
The α-γ transition in cerium is a Mott transition
journal, September 1974
- Johansson, Börje
- Philosophical Magazine, Vol. 30, Issue 3
Effects of interstitial impurities on the high pressure martensitic α to ω structural transformation and grain growth in zirconium
journal, March 2011
- Velisavljevic, Nenad; Chesnut, Gary N.; Stevens, Lewis L.
- Journal of Physics: Condensed Matter, Vol. 23, Issue 12
Fly scan apparatus for high pressure research using diamond anvil cells
journal, January 2019
- Smith, Jesse S.; Rod, Eric A.; Shen, Guoyin
- Review of Scientific Instruments, Vol. 90, Issue 1
Theoretical confirmation of a high-pressure rhombohedral phase in vanadium metal
journal, May 2007
- Lee, Byeongchan; Rudd, Robert E.; Klepeis, John E.
- Physical Review B, Vol. 75, Issue 18