Direct Observations of a Dynamically Driven Phase Transition with in&nbsp;situ X-Ray Diffraction in a Simple Ionic Crystal

Kalita, Patricia E.; Specht, Paul Elliot; Root, Seth; Sinclair, Nicholas; Schuman, Adam; White, Melanie; Cornelius, Andrew L.; Smith, Jesse; Sinogeikin, Stanislav

doi:10.1103/PhysRevLett.119.255701

Direct Observations of a Dynamically Driven Phase Transition with in situ X-Ray Diffraction in a Simple Ionic Crystal

Journal Article · Wed Dec 20 23:00:00 EST 2017 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.119.255701· OSTI ID:1421646

Kalita, Patricia E. ^[1]; Specht, Paul Elliot ^[1]; Root, Seth ^[1]; Sinclair, Nicholas ^[2]; Schuman, Adam ^[2]; White, Melanie ^[3]; Cornelius, Andrew L. ^[3]; Smith, Jesse ^[4]; Sinogeikin, Stanislav ^[4]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Washington State Univ., Argonne, IL (United States)
Univ. of Nevada, Las Vegas, NV (United States)
Carnegie Institute of Washington, Argonne, IL (United States)

Here, we report real-time observations of a phase transition in the ionic solid CaF₂, a model AB₂ structure in high-pressure physics. Synchrotron x-ray diffraction coupled with dynamic loading to 27.7 GPa, and separately with static compression, follows, in situ, the fluorite to cotunnite structural phase transition, both on nanosecond and on minute time scales. Using Rietveld refinement techniques, we examine the kinetics and hysteresis of the transition. Our results give insight into the kinetic time scale of the fluorite-cotunnite phase transition under shock compression, which is relevant to a number of isomorphic compounds.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000

OSTI ID:: 1421646

Alternate ID(s):: OSTI ID: 1513722
OSTI ID: 1414515
OSTI ID: 1416576

Report Number(s):: SAND--2018-0578J; 660051

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 25 Vol. 119; ISSN 0031-9007; ISSN PRLTAO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (36)

Time-resolved measurement of high-pressure phase transition of fluorite under shock loading Sekine, Toshimori; Kobayashi, Takamichi Physics and Chemistry of Minerals, Vol. 38, Issue 4 https://doi.org/10.1007/s00269-010-0404-1	journal	October 2010
Shock Compression Modeling of Distended Mixtures Fenton, Gregg; Grady, Dennis; Vogler, Tracy Journal of Dynamic Behavior of Materials, Vol. 1, Issue 2 https://doi.org/10.1007/s40870-015-0021-7	journal	April 2015
Fracture characteristics of three metals subjected to various strains, strain rates, temperatures and pressures Johnson, Gordon R.; Cook, William H. Engineering Fracture Mechanics, Vol. 21, Issue 1 https://doi.org/10.1016/0013-7944(85)90052-9	journal	January 1985
CTH: A three-dimensional shock wave physics code McGlaun, J. M.; Thompson, S. L.; Elrick, M. G. International Journal of Impact Engineering, Vol. 10, Issue 1-4 https://doi.org/10.1016/0734-743X(90)90071-3	journal	January 1990
An explanation to the anomalous avrami exponent Sun, N. X.; Liu, X. D.; Lu, K. Scripta Materialia, Vol. 34, Issue 8 https://doi.org/10.1016/1359-6462(95)00657-5	journal	April 1996
Crystal structure and bonding in the high-pressure form of fluorite (CaF2) Morris, Elaine; Groy, Tom; Leinenweber, Kurt Journal of Physics and Chemistry of Solids, Vol. 62, Issue 6 https://doi.org/10.1016/S0022-3697(00)00291-2	journal	June 2001
Analysis of the Isothermal Structure Development in Waxy Crude Oils under Quiescent Conditions Lopes-da-Silva, J. A.; Coutinho, João A. P. Energy & Fuels, Vol. 21, Issue 6 https://doi.org/10.1021/ef700357v	journal	November 2007
Inelastic response of silicon to shock compression Higginbotham, A.; Stubley, P. G.; Comley, A. J. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep24211	journal	April 2016
Constitutive Equation for the Dynamic Compaction of Ductile Porous Materials Herrmann, W. Journal of Applied Physics, Vol. 40, Issue 6 https://doi.org/10.1063/1.1658021	journal	May 1969
Suggested Modification of the P ‐α Model for Porous Materials Carroll, Michael; Holt, Albert C. Journal of Applied Physics, Vol. 43, Issue 2 https://doi.org/10.1063/1.1661203	journal	February 1972
Kinetics of Phase Change. I General Theory Avrami, Melvin The Journal of Chemical Physics, Vol. 7, Issue 12, p. 1103-1112 https://doi.org/10.1063/1.1750380	journal	December 1939
Kinetics of Phase Change. II Transformation‐Time Relations for Random Distribution of Nuclei Avrami, Melvin The Journal of Chemical Physics, Vol. 8, Issue 2 https://doi.org/10.1063/1.1750631	journal	February 1940
Granulation, Phase Change, and Microstructure Kinetics of Phase Change. III Avrami, Melvin The Journal of Chemical Physics, Vol. 9, Issue 2, p. 177-184 https://doi.org/10.1063/1.1750872	journal	February 1941
Compact system for high-speed velocimetry using heterodyne techniques Strand, O. T.; Goosman, D. R.; Martinez, C. Review of Scientific Instruments, Vol. 77, Issue 8 https://doi.org/10.1063/1.2336749	journal	August 2006
Shock compression of powder compacts of CaF ₂ Taniguchi, T.; Kondo, K.; Sawaoka, A. Journal of Applied Physics, Vol. 61, Issue 1 https://doi.org/10.1063/1.338854	journal	January 1987
Anharmonicity and the equation of state for gold Anderson, Orson L.; Isaak, Donald G.; Yamamoto, Shigeru Journal of Applied Physics, Vol. 65, Issue 4 https://doi.org/10.1063/1.342969	journal	February 1989
Shock compression response of poly(4-methyl-1-pentene) plastic to 985 GPa Root, Seth; Mattsson, Thomas R.; Cochrane, Kyle Journal of Applied Physics, Vol. 118, Issue 20 https://doi.org/10.1063/1.4936168	journal	November 2015
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015
Electronic and elastic properties of CaF ₂ under high pressure from ab initio calculations Shi, H.; Luo, W.; Johansson, B. Journal of Physics: Condensed Matter, Vol. 21, Issue 41 https://doi.org/10.1088/0953-8984/21/41/415501	journal	September 2009
High-precision in situ investigation of the kinetics of the high-pressure phase transition in Ca F 2 including the initial transformation stages Yel’kin, F. S.; Tsiok, O. B.; Brazhkin, V. V. Physical Review B, Vol. 73, Issue 9 https://doi.org/10.1103/PhysRevB.73.094113	journal	March 2006
First-principles study of structural stabilities, and electronic and optical properties of Ca F 2 under high pressure Wu, Xiang; Qin, Shan; Wu, Ziyu Physical Review B, Vol. 73, Issue 13 https://doi.org/10.1103/PhysRevB.73.134103	journal	April 2006
Low-dimensional sublattice melting by pressure: Superionic conduction in the phase interfaces of the fluorite-to-cotunnite transition of Ca F 2 Boulfelfel, Salah Eddine; Zahn, Dirk; Hochrein, Oliver Physical Review B, Vol. 74, Issue 9 https://doi.org/10.1103/PhysRevB.74.094106	journal	September 2006
Radial diffraction strength and elastic behavior of CaF 2 in low- and high-pressure phases Kavner, Abby Physical Review B, Vol. 77, Issue 22 https://doi.org/10.1103/PhysRevB.77.224102	journal	June 2008
Phase transitions and equations of state of alkaline earth fluorides CaF 2 , SrF 2 , and BaF 2 to Mbar pressures Dorfman, Susannah M.; Jiang, Fuming; Mao, Zhu Physical Review B, Vol. 81, Issue 17 https://doi.org/10.1103/PhysRevB.81.174121	journal	May 2010
High-pressure phases of group-II difluorides: Polymorphism and superionicity Nelson, Joseph R.; Needs, Richard J.; Pickard, Chris J. Physical Review B, Vol. 95, Issue 5 https://doi.org/10.1103/PhysRevB.95.054118	journal	February 2017
Shock Response and Phase Transitions of MgO at Planetary Impact Conditions Root, Seth; Shulenburger, Luke; Lemke, Raymond W. Physical Review Letters, Vol. 115, Issue 19 https://doi.org/10.1103/PhysRevLett.115.198501	journal	November 2015
Real-Time Examination of Atomistic Mechanisms during Shock-Induced Structural Transformation in Silicon Turneaure, Stefan J.; Sinclair, N.; Gupta, Y. M. Physical Review Letters, Vol. 117, Issue 4 https://doi.org/10.1103/PhysRevLett.117.045502	journal	July 2016
Compression Freezing Kinetics of Water to Ice VII Gleason, A. E.; Bolme, C. A.; Galtier, E. Physical Review Letters, Vol. 119, Issue 2 https://doi.org/10.1103/PhysRevLett.119.025701	journal	July 2017
Phase transitions under shock-wave loading Duvall, G. E.; Graham, R. A. Reviews of Modern Physics, Vol. 49, Issue 3 https://doi.org/10.1103/RevModPhys.49.523	journal	July 1977
A profile refinement method for nuclear and magnetic structures Rietveld, H. M. Journal of Applied Crystallography, Vol. 2, Issue 2, p. 65-71 https://doi.org/10.1107/S0021889869006558	journal	June 1969
X-ray diffraction investigations of CaF ₂ at high pressure Gerward, L.; Olsen, J. S.; Steenstrup, S. Journal of Applied Crystallography, Vol. 25, Issue 5 https://doi.org/10.1107/S0021889892004096	journal	October 1992
Femtosecond Visualization of Lattice Dynamics in Shock-Compressed Matter Milathianaki, D.; Boutet, S.; Williams, G. J. Science, Vol. 342, Issue 6155 https://doi.org/10.1126/science.1239566	journal	October 2013
Shock Compression and Shock-Induced Radiation Measurements on Calcium Fluoride Hasegawa, Masaki; Kondo, Ken-ichi; Sawaoka, Akira Japanese Journal of Applied Physics, Vol. 23, Issue Part 1, No. 1 https://doi.org/10.1143/JJAP.23.20	journal	January 1984
Structural Dynamics of Materials under Shock Compression Investigated with Synchrotron Radiation Ichiyanagi, Kouhei; Nakamura, Kazutaka Metals, Vol. 6, Issue 1 https://doi.org/10.3390/met6010017	journal	January 2016
Shock Response and Phase Transitions of MgO at Planetary Impact Conditions Root, Seth; Shulenburger, Luke; Lemke, Raymond W. arXiv https://doi.org/10.48550/arxiv.1502.00009	text	January 2015
High-pressure phases of group II difluorides: polymorphism and superionicity Nelson, J. R.; Needs, R. J.; Pickard, C. J. arXiv https://doi.org/10.48550/arxiv.1702.00746	text	January 2017

Cited By (4)

Polycapillary x-ray lenses for single-shot, laser-driven powder diffraction Schollmeier, M.; Ao, T.; Field, E. S. Review of Scientific Instruments, Vol. 89, Issue 10 https://doi.org/10.1063/1.5036569	journal	October 2018
Direct observation of the hcp-bcc phase transition and melting along the principal Hugoniot of Mg Beason, M. T.; Mandal, A.; Jensen, B. J. Physical Review B, Vol. 101, Issue 2 https://doi.org/10.1103/physrevb.101.024110	journal	January 2020
Nanosecond Melting and Recrystallization in Shock-Compressed Silicon Turneaure, Stefan J.; Sharma, Surinder M.; Gupta, Y. M. Physical Review Letters, Vol. 121, Issue 13 https://doi.org/10.1103/physrevlett.121.135701	journal	September 2018
Structural Transformation and Melting in Gold Shock Compressed to 355 GPa Sharma, Surinder M.; Turneaure, Stefan J.; Winey, J. M. Physical Review Letters, Vol. 123, Issue 4 https://doi.org/10.1103/physrevlett.123.045702	journal	July 2019