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

Physical Review B

Kalita, Patricia; Crockett, Scott D.; Swift, D.C.; Gonzales, Ivana; Banasek, Jacob T.; Bliss, David E.; Mccoy, Chad A.; Hanshaw, Heath L.; Scoglietti, Edward; Seagle, Cristopher T.; Knudson, Marcus D.

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.

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Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2–2.1 TPa

Physical Review. B

Mccoy, Chad A.; Kalita, Patricia; Knudson, Marcus D.; Desjarlais, Michael P.; Duwal, Sakun; Root, Seth A.

Sapphire (Al2O3) is a major constituent of the Earth's mantle and has significant contributions to the field of high-pressure physics. Constraining its Hugoniot over a wide pressure range and identifying the location of shock-driven phase transitions allows for development of a multiphase equation of state and enables its use as an impedance-matching standard in shock physics experiments. In this paper we present measurements of the principal Hugoniot and sound velocity from direct impact experiments using magnetically launched flyers on the Z machine at Sandia National Laboratories. The Hugoniot was constrained for pressures from 0.2–2.1 TPa and a four-segment piecewise linear shock-velocity–particle-velocity fit was determined. First-principles molecular dynamics simulations were conducted and agree well with the experimental Hugoniot. Sound-speed measurements identified the onset of melt between 450 and 530 GPa, and the Hugoniot fit refined the onset to 525 ± 13 GPa. A phase diagram which incorporates literature diamond-anvil cell data and melting measurements is presented.

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