Phase transitions in high-purity zirconium under dynamic compression
Abstract
In this work, we present results from ramp compression experiments on high-purity Zr that show the α → ω, ω → β, as well as reverse β → ω phase transitions. Simulations with a multi-phase equation of state and phenomenological kinetic model match the experimental wave profiles well. While the dynamic α ! ! transition occurs ~ 9 GPa above the equilibrium phase boundary, the ω → β transition occurs within 0.9 GPa of equilibrium. We estimate that the dynamic compression path intersects the equilibrium ω – β line at P = 29:2 GPa, and T = 490 K. The thermodynamic path in the interior of the sample lies ~ 100 K above the isentrope at the point of the ω → β transition. Approximately half of this dissipative temperature rise is due to plastic work, and half is due to the non-equilibrium α → ω transition. The inferred rate of the α → ω transition is several orders of magnitude higher than that measured in dynamic diamond anvil cell (DDAC) experiments in an overlapping pressure range. We discuss a model for the influence of shear stress on the nucleation rate. We find that the shear stress sji has themore »
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Washington State Univ., Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Argonne National Lab. (ANL), Argonne, IL (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1879389
- Alternate Identifier(s):
- OSTI ID: 1872038; OSTI ID: 1879805; OSTI ID: 1890642
- Report Number(s):
- LA-UR-21-31479; SAND2022-7020J; LLNL-JRNL-837947
Journal ID: ISSN 2469-9950; TRN: US2307641
- Grant/Contract Number:
- 89233218CNA000001; NA0003525; AC02-06CH11357; AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B
- Additional Journal Information:
- Journal Volume: 105; Journal Issue: 18; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Zirconium Pressure Phase; zirconium pressure phase; Physics
Citation Formats
Greeff, Carl William, Brown, Justin L., Velisavljevic, Nenad, and Rigg, Paulo A. Phase transitions in high-purity zirconium under dynamic compression. United States: N. p., 2022.
Web. doi:10.1103/physrevb.105.184102.
Greeff, Carl William, Brown, Justin L., Velisavljevic, Nenad, & Rigg, Paulo A. Phase transitions in high-purity zirconium under dynamic compression. United States. https://doi.org/10.1103/physrevb.105.184102
Greeff, Carl William, Brown, Justin L., Velisavljevic, Nenad, and Rigg, Paulo A. Mon .
"Phase transitions in high-purity zirconium under dynamic compression". United States. https://doi.org/10.1103/physrevb.105.184102. https://www.osti.gov/servlets/purl/1879389.
@article{osti_1879389,
title = {Phase transitions in high-purity zirconium under dynamic compression},
author = {Greeff, Carl William and Brown, Justin L. and Velisavljevic, Nenad and Rigg, Paulo A.},
abstractNote = {In this work, we present results from ramp compression experiments on high-purity Zr that show the α → ω, ω → β, as well as reverse β → ω phase transitions. Simulations with a multi-phase equation of state and phenomenological kinetic model match the experimental wave profiles well. While the dynamic α ! ! transition occurs ~ 9 GPa above the equilibrium phase boundary, the ω → β transition occurs within 0.9 GPa of equilibrium. We estimate that the dynamic compression path intersects the equilibrium ω – β line at P = 29:2 GPa, and T = 490 K. The thermodynamic path in the interior of the sample lies ~ 100 K above the isentrope at the point of the ω → β transition. Approximately half of this dissipative temperature rise is due to plastic work, and half is due to the non-equilibrium α → ω transition. The inferred rate of the α → ω transition is several orders of magnitude higher than that measured in dynamic diamond anvil cell (DDAC) experiments in an overlapping pressure range. We discuss a model for the influence of shear stress on the nucleation rate. We find that the shear stress sji has the same effect on the nucleation rate as a pressure increase δP = cϵijsji/(ΔV/V); where c is a geometric constant ~ 1 and, ϵij are the transformation shear strains. The small fractional volume change ΔV/V ≈ 0:1 at the α → ω transition amplifies the effect of shear stress, and we estimate that for this case δP is in the range of several GPa. Correcting our transition rate to a hydrostatic rate brings it approximately into line with the DDAC results, suggesting that shear stress plays a significant role in the transformation rate.},
doi = {10.1103/physrevb.105.184102},
journal = {Physical Review. B},
number = 18,
volume = 105,
place = {United States},
year = {Mon May 09 00:00:00 EDT 2022},
month = {Mon May 09 00:00:00 EDT 2022}
}
Works referenced in this record:
Pressure-induced kinetics of the α to ω transition in zirconium
journal, July 2015
- Jacobsen, M. K.; Velisavljevic, N.; Sinogeikin, S. V.
- Journal of Applied Physics, Vol. 118, Issue 2
Dynamic x-ray diffraction and nanosecond quantification of kinetics of formation of -zirconium under shock compression
journal, August 2020
- Kalita, Patricia; Brown, Justin; Specht, Paul
- Physical Review B, Vol. 102, Issue 6
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Thermal equations of state of the , , and phases of zirconium
journal, May 2005
- Zhao, Yusheng; Zhang, Jianzhong; Pantea, Cristian
- Physical Review B, Vol. 71, Issue 18
The development and applications of zirconium alloys
journal, April 1985
- Northwood, Derek O.
- Materials & Design, Vol. 6, Issue 2
Flow strength of tantalum under ramp compression to 250 GPa
journal, January 2014
- Brown, J. L.; Alexander, C. S.; Asay, J. R.
- Journal of Applied Physics, Vol. 115, Issue 4
New Mechanism for the to Martensitic Transformation in Pure Titanium
journal, July 2003
- Trinkle, D. R.; Hennig, R. G.; Srinivasan, S. G.
- Physical Review Letters, Vol. 91, Issue 2
A Model for Phase Transitions Under Dynamic Compression
journal, October 2016
- Greeff, C. W.
- Journal of Dynamic Behavior of Materials, Vol. 2, Issue 4
Shock viscosity and the prediction of shock wave rise times
journal, July 1985
- Swegle, J. W.; Grady, D. E.
- Journal of Applied Physics, Vol. 58, Issue 2
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
Pressure-induced transition in titanium metal a systematic study of the effects of uniaxial stress
journal, January 2005
- Errandonea, Daniel; Meng, Y.; Somayazulu, M.
- Physica B: Condensed Matter, Vol. 355, Issue 1-4, p. 116-125
In situ quantitative study of plastic strain-induced phase transformations under high pressure: Example for ultra-pure Zr
journal, September 2020
- Pandey, K. K.; Levitas, Valery I.
- Acta Materialia, Vol. 196
Laser interferometer for measuring high velocities of any reflecting surface
journal, November 1972
- Barker, L. M.; Hollenbach, R. E.
- Journal of Applied Physics, Vol. 43, Issue 11
Magnetically driven hyper-velocity launch capability at the Sandia Z accelerator
journal, June 2011
- Lemke, R. W.; Knudson, M. D.; Davis, J. -P.
- International Journal of Impact Engineering, Vol. 38, Issue 6
The α → ω phase transformation in zirconium followed with ms-scale time-resolved X-ray absorption spectroscopy
journal, July 2016
- Dewaele, A.; André, R.; Occelli, F.
- High Pressure Research, Vol. 36, Issue 3
Universal features of the equation of state of solids
journal, March 1989
- Vinet, P.; Rose, J. H.; Ferrante, J.
- Journal of Physics: Condensed Matter, Vol. 1, Issue 11
Experimental configuration for isentropic compression of solids using pulsed magnetic loading
journal, September 2001
- Hall, C. A.; Asay, J. R.; Knudson, M. D.
- Review of Scientific Instruments, Vol. 72, Issue 9, p. 3587-3595
Simultaneous ultrasonic and synchrotron x-ray studies on pressure induced α-ω phase transition in zirconium
journal, January 2008
- Liu, Wei; Li, Baosheng; Wang, Liping
- Journal of Applied Physics, Vol. 104, Issue 7
Self-consistent, two-dimensional, magnetohydrodynamic simulations of magnetically driven flyer plates
journal, May 2003
- Lemke, R. W.; Knudson, M. D.; Robinson, A. C.
- Physics of Plasmas, Vol. 10, Issue 5
Temperature dependence of the ω-bcc phase transition in zirconium metal
journal, November 1991
- Xia, Hui; Ruoff, Arthur L.; Vohra, Yogesh K.
- Physical Review B, Vol. 44, Issue 18
The influence of interstitial oxygen and peak pressure on the shock loading behavior of zirconium
journal, April 2005
- Cerreta, E.; Gray, G. T.; Hixson, R. S.
- Acta Materialia, Vol. 53, Issue 6
Coupling solidification kinetics with phase-behavior computations in hydrodynamic simulations of high-pressure, dynamic-compression processes
journal, December 2020
- Myint, Philip C.; Sadigh, Babak; Benedict, Lorin X.
- AIP Advances, Vol. 10, Issue 12
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
Method of Isentropically Compressing Materials to Several Megabars
journal, June 1972
- Hawke, R. S.; Duerre, D. E.; Huebel, J. G.
- Journal of Applied Physics, Vol. 43, Issue 6
Nanosecond Freezing of Water at High Pressures: Nucleation and Growth near the Metastability Limit
journal, October 2018
- Myint, Philip C.; Chernov, Alexander A.; Sadigh, Babak
- Physical Review Letters, Vol. 121, Issue 15
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
Recovery of a high-pressure phase formed under laser-driven compression
journal, July 2020
- Gorman, M. G.; McGonegle, D.; Tracy, S. J.
- Physical Review B, Vol. 102, Issue 2
Determination of the phase boundary of the omega to beta transition in Zr using in situ high-pressure and high-temperature X-ray diffraction
journal, May 2015
- Ono, Shigeaki; Kikegawa, Takumi
- Journal of Solid State Chemistry, Vol. 225
Experimental constraints on the phase diagram of elemental zirconium
journal, July 2005
- Zhang, Jianzhong; Zhao, Yusheng; Pantea, Cristian
- Journal of Physics and Chemistry of Solids, Vol. 66, Issue 7
Influence of stress on martensite nucleation
journal, May 1953
- Fisher, J. C.; Turnbull, D.
- Acta Metallurgica, Vol. 1, Issue 3
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
Melting and refreezing of zirconium observed using ultrafast x-ray diffraction
journal, February 2020
- Radousky, Harry B.; Armstrong, Michael R.; Austin, Ryan A.
- Physical Review Research, Vol. 2, Issue 1
The kinetics of the ω to α phase transformation in Zr, Ti: Analysis of data from shock-recovered samples and atomistic simulations
journal, September 2014
- Zong, Hongxiang; Lookman, Turab; Ding, Xiangdong
- Acta Materialia, Vol. 77