Thermoelastic Equation of State of Boron Suboxide B6O up to 6 GPa and 2700 K: Simplified Anderson-Gr\"uneisen Model and Thermodynamic Consistency

TL;DR

This study develops a simplified thermoelastic equation of state for boron suboxide B6O up to 6 GPa and 2700 K, using experimental data and thermodynamic modeling to ensure accuracy and consistency.

Contribution

The paper introduces a simplified Anderson-Grüneisen model for B6O's p-V-T behavior that aligns well with experimental data and thermodynamic principles.

Findings

Good agreement between model and experimental volume data up to 5% change.

Fitted thermal expansion and Grüneisen parameter are consistent with previous estimates.

Model accurately predicts thermodynamic properties under high pressure and temperature.

Abstract

p-V-T equation of state of superhard boron suboxide B6O has been measured up to 6 GPa and 2700 K using multianvil technique and synchrotron X-ray diffraction. To fit the experimental data, the theoretical p-V-T equation of state has been derived in approximation of the constant value of the Anderson-Gr\"uneisen parameter {\delta}T. The model includes bulk modulus B0 =181 GPa and its first pressure derivative B0' = 6 at 300 K; two parameters describing thermal expansion at 0.1 MPa, i.e. a = 1.4x10-5 K-1 and b = 5x10-9 K-2, as well as {\delta}T = 6. The good agreement between fitted and experimental isobars has been achieved to the absolute volume changes up to 5% as compared to volume at standard conditions, V0. The fitted thermal expansion at 0.1 MPa is well consistent with the experimental data, as well as with ambient-pressure heat capacity cp, bulk modulus B0 and {\delta}T describing its evolution with volume and temperature. The fitted value of Gr\"uneisen parameter {\gamma} = 0.85 is in agreement with previous empiric estimations for B6O and experimental values for other boron-rich solids.