Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Pressure-temperature equation of state of Al2 ⁢O3 up to 14 Mbar and 40 kK

Journal Article · · Physical Review B
DOI:https://doi.org/10.1103/zbsk-sp1g· OSTI ID:2586991
Sapphire (Al2 ⁢O3), known for its remarkable incompressibility at ambient conditions, plays a pivotal role in both static and dynamic compression research. Accurately characterizing its equation of state (EoS) is essential for these applications. Here, we present a complete Hugoniot of Al2⁢ O3 as locus of experimentally assessed, high-precision, pressure, density and temperature states up to 14 Mbar and 43 kK. The Hugoniot is established with single shock experiments using magnetically launched hyper velocity flyers on the Z Accelerator at Sandia National Laboratories. We explore principal Hugoniot states at very high shock 𝑇 and 𝑝 in the solid phase, tracking the solid-liquid boundary and culminating at 2.4-fold compression, where data provides a direct constraint on the liquid phase. Corresponding shock release data probe thermodynamic states complementary to the Hugoniot and place additional constraints on tabular EoS models. Our findings indicate a significant deviation from existing tabular EoS models for Al2⁢ O3 dictating a comprehensive overhaul. We develop two advanced EoSs for Al2⁢ O3 the SESAME 97412 model, featuring an extensive phase diagram that includes three solid phases and the liquid phase, and the updated LEOS 2200m2 model. EoS development is assisted with Quantum Molecular Dynamics simulations. Our experimental data allows for stringent testing of our EoSs. Both models accurately capture the Hugoniot of Al2 ⁢O3 up to the highest pressures and temperatures. Rigorous experimental determination of extreme pressures and temperatures, paired with sophisticated models, advances the frontier of EoS development beyond 1 terapascal.
Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)
Grant/Contract Number:
89233218CNA000001; AC52-07NA27344; NA0003525
OSTI ID:
2586991
Report Number(s):
SAND--2025-10887J; 1770250
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 2 Vol. 112; ISSN 2469-9969; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (54)

Zur Theorie der spezifischen Wärmen journal January 1912
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
The melting of corundum (Al2O3) under high pressure conditions journal March 2000
How accurate is density functional theory at high pressures? journal January 2025
Stability and compressibility of the high-pressure phases of Al2O3 up to 200 GPa: Implications for the electrical conductivity of the base of the lower mantle journal June 2006
High-pressure phase transformation of corundum (α-Al 2 O 3 ) observed under shock compression journal July 2000
Thermal Equations of State of Corundum and Rh2O3 (II)‐Type Al2O3 up to 153 GPa and 3400 K journal March 2022
Characterizing windows for shock wave radiation studies journal January 1990
Absence of an aluminous phase in the upper part of the Earth's lower mantle journal July 1994
Crystal structure of a high-pressure/high-temperature phase of alumina by in situ X-ray diffraction journal May 2004
Laser interferometer for measuring high velocities of any reflecting surface journal November 1972
Correction to the velocity‐per‐fringe relationship for the VISAR interferometer journal August 1974
Magnetically accelerated, ultrahigh velocity flyer plates for shock wave experiments journal October 2005
Accuracy limits and window corrections for photon Doppler velocimetry journal January 2007
Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R 1 fluorescence pressure gauge from 0.06 to 1 Mbar journal June 1978
A new global equation of state model for hot, dense matter journal September 1995
A unified formulation of the constant temperature molecular dynamics methods journal July 1984
High pressure Hugoniot of sapphire conference January 1994
Shock compression response of poly(4-methyl-1-pentene) plastic to 985 GPa journal November 2015
High precision Hugoniot measurements on statically pre-compressed fluid helium journal September 2016
A new quotidian equation of state (QEOS) for hot dense matter journal January 1988
Review of pulsed power-driven high energy density physics research on Z at Sandia journal July 2020
Interplay of high-precision shock wave experiments with first-principles theory to explore molecular systems at extreme conditions: A perspective journal June 2021
The evidence for the occurrence of two successive transitions in Al2O3 from the analysis of Hugoniot data journal January 2002
Prediction of an U2S3-type polymorph of Al2O3 at 3.7 Mbar journal May 2008
A generic model for the ionic contribution to the equation of state journal December 1991
Fitting of a multiphase equation of state with swarm intelligence journal September 2015
High pressure phase transition and strength estimate in polycrystalline alumina during laser-driven shock compression journal December 2022
Shock induced melting of sapphire journal January 2022
Canonical dynamics: Equilibrium phase-space distributions journal March 1985
Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2–2.1 TPa journal June 2023
Ab initiomolecular dynamics for liquid metals journal January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Projector augmented-wave method journal December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Transition from the Rh 2 O 3 ( II ) -to- Ca Ir O 3 structure and the high-pressure-temperature phase diagram of alumina journal July 2005
Compression curves of transition metals in the Mbar range: Experiments and projector augmented-wave calculations journal September 2008
Al2O3as a metallic glass at 300 GPa journal September 2010
Carbon dioxide shock and reshock equation of state data to 8 Mbar: Experiments and simulations journal June 2013
Equation of state of α -Al 2 O 3 journal August 2013
Gradient corrections to the exchange-correlation free energy journal October 2014
Absolute measurement of the Hugoniot and sound velocity of liquid copper at multimegabar pressures journal November 2017
Statistical mechanics model for the transit free energy of monatomic liquids journal April 2010
Shock Compression of Quartz to 1.6 TPa: Redefining a Pressure Standard journal November 2009
Insulator-to-Conducting Transition in Dense Fluid Helium journal May 2010
Shock Response and Phase Transitions of MgO at Planetary Impact Conditions journal November 2015
Metallization of Fluid Molecular Hydrogen at 140 GPa (1.4 Mbar) journal March 1996
Generalized Gradient Approximation Made Simple journal October 1996
Shock-Induced Transformation of A l 2 O 3 and LiF into Semiconducting Liquids journal July 2003
Phase transitions under shock-wave loading journal July 1977
High-Pressure Transformation of Al2O3 journal November 1997
Constant Temperature Molecular Dynamics Methods journal January 1991
High-pressure experiments on phase transition boundaries between corundum, Rh2O3(II)-and CaIrO3-type structures in Al2O3 journal February 2013

Similar Records

(U) Equation of State and Compaction Modeling for CeO2
Technical Report · Mon Oct 20 00:00:00 EDT 2014 · OSTI ID:1160104

Absolute measurements of the equations of state of low-Z materials in the multi-Mbar regime using laser-driven shocks
Journal Article · Thu May 01 00:00:00 EDT 1997 · Physics of Plasmas · OSTI ID:560639

Shock compression of poly(methyl methacrylate) PMMA in the 1000 GPa regime: Z machine experiments
Journal Article · Wed Jan 18 19:00:00 EST 2023 · Journal of Applied Physics · OSTI ID:2311686

Related Subjects