Fe partitioning among lower mantle phases has non-monotonic behavior owing to the high-spin to a low-spin crossover of iron in ferropericlase (Fp) at pressure-temperature conditions of this region.
First part: study the post-perovskite transition in Fe- and Al-bearing bridgmanite. Final target: organize ab initio results and engage in packages and database.
View Paper View Poster View TalkAdvanced free energy model exploring the HS-LS solid solution for iron spin crossover of Fe2+ in ferropericlase (Fp), impacting the lower mantle.
View Paper1 View Paper2 View Poster View TalkA useful tool to compute thermodynamic properties at extreme conditions, i.e., high temperature or pressure, by addressing effects: anharmonicity, electronic thermal excitations. Examples: CaPv, B8-type FeO.
View Paper View Code View PosterThe likely stable phase of Fe at extreme conditions of terrestrial planetary cores, and its thermodynamic calculations based on various physical models.
View Paper View BlogExplore our research group’s PAW pseudopotential library, showcasing mineralogy essentials (O, Na, Mg, Al, Si, etc) and rare Earth elements (La-Lu).
View Code Visit Lab's Site My AWS-hosted SiteIncluding multiple websites and webapps designs, i.e., group website for Wentzcovitch research group, github page for our lab organization, customized website designs.
Service and Milestones