Pressure Effects on the Thermodynamic Properties of MgSiO3 Akimotoite

The thermodynamic properties of MgSiO3 akimotoite at high temperatures and high pressures are important for investigating the phase equilibria of the Earth’s transition zone and the upper part of the lower mantle. In this paper, we present the self-consistent unit-cell volume, elastic properties, and in particular, thermodynamic properties including thermal expansion, heat capacity, entropy, and Grüneisen parameter of MgSiO3 akimotoite at pressures up to 30 GPa and temperatures to 2000 K using an iterative numerical method and available experimental data, which are consistent with the previous studies. The results show that the determined thermal expansion, heat capacity, entropy, and Grüneisen parameter exhibit a nonlinear and negative relationship with increasing pressure. Additionally, the pressure derivatives of these thermodynamic parameters along with the temperature are also presented.