The Post‐Perovskite Transition in Fe‐ and Al‐Bearing Bridgmanite: Effects on Seismic Observables

Wentzcovitch, Renata M.; Valencia‐Cardona, Juan J.; Zhuang, Jingyi; Shukla, Gaurav; Sarkar, Kanchan

doi:10.1029/2022JB025475

Title: The Post‐Perovskite Transition in Fe‐ and Al‐Bearing Bridgmanite: Effects on Seismic Observables

Journal Article · Wed Mar 15 00:00:00 EDT 2023 · Journal of Geophysical Research. Solid Earth

DOI:https://doi.org/10.1029/2022JB025475· OSTI ID:1961709

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Department of Applied Physics and Applied Mathematics Columbia University New York NY USA, Department of Earth and Environmental Sciences Columbia University New York NY USA, Lamont‐Doherty Earth Observatory Columbia University Palisades NY USA
Department of Chemical Engineering and Material Science University of Minnesota Minneapolis MN USA
Department of Earth and Environmental Sciences Columbia University New York NY USA, Lamont‐Doherty Earth Observatory Columbia University Palisades NY USA
Department of Earth Sciences Indian Institute of Science Education and Research Kolkata Mohanpur West Bengal India
Department of Applied Physics and Applied Mathematics Columbia University New York NY USA, Lamont‐Doherty Earth Observatory Columbia University Palisades NY USA

Abstract The primary phase of the Earth’s lower mantle, (Al, Fe)‐bearing bridgmanite, transitions to the post‐perovskite (PPv) phase at Earth’s deep mantle conditions. Despite extensive experimental and ab initio investigations, there are still important aspects of this transformation that need clarification. Here, we address this transition in (Al ³⁺ , Fe ³⁺ )‐, (Al ³⁺ )‐, (Fe ²⁺ )‐, and (Fe ³⁺ )‐bearing bridgmanite using ab initio calculations and validate our results against experiments on similar compositions. Consistent with experiments, our results show that the onset transition pressure and the width of the two‐phase region depend distinctly on the chemical composition: (a) Fe ³⁺ ‐, Al ³⁺ ‐, or (Al ³⁺ , Fe ³⁺ )‐alloying increases the transition pressure, while Fe ²⁺ ‐alloying has the opposite effect; (b) in the absence of coexisting phases, the pressure‐depth range of the Pv‐PPv transition is likely too broad to cause a sharp D” discontinuity (<30 km); (c) the average Clapeyron slope of the two‐phase regions are consistent with previous measurements, calculations in MgSiO ₃ , and inferences from seismic data. In addition, (d) we observe a softening of the bulk modulus in the two‐phase region. The consistency between our results and experiments gives us the confidence to proceed and examine this transition in aggregates with different compositions computationally, which will be fundamental for resolving the most likely chemical composition of the D" region by analyses of tomographic images.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: DE‐SC0019759

OSTI ID:: 1961709

Journal Information:: Journal of Geophysical Research. Solid Earth, Journal Name: Journal of Geophysical Research. Solid Earth Vol. 128 Journal Issue: 3; ISSN 2169-9313

Publisher:: American Geophysical Union (AGU)Copyright Statement

Country of Publication:: United States

Language:: English

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