Ab initio determination of iron melting at terapascal pressures and Super-Earths core crystallization

F González-Cataldo, B Militzer - Physical Review Research, 2023 - APS
We performed ab initio molecular dynamics simulations for pressures and temperatures from
300–5000 GPa and 3000–30 000 K in order to determine the equation of state of solid and …

Structural and Thermodynamic Properties of Magnesium-Rich Liquids at Ultrahigh Pressure

F González-Cataldo, B Militzer - Minerals, 2023 - mdpi.com
We explore the structural properties of Mg, MgO, and MgSiO3 liquids from ab initio computer
simulations at conditions that are relevant for the interiors of giant planets, stars, shock …