Thermal conductivity of perovskite at lower mantle conditions
Abstract
Thermal conductivity (κ) of mantle minerals is key to understanding dynamics in the deep Earth. It controls the style of mantle convection and the timescale of cooling both the mantle and the core. Cubic CaSiO3 perovskite (CaPv) is the third most abundant mineral in the lower mantle (7 vol %). Despite its importance, no theoretical or experimental estimate of CaPv's κ is available. Theoretical investigations of its properties are challenging because of its strong anharmonicity. Experimental measurements at relevant pressures and temperatures are equally challenging. Here we present ab initio results for CaPv's κ obtained using the phonon quasiparticle approach to address its strong anharmonicity. We also offer experimental measurements of κ up to 67 GPa and 1950 K. Predictions and measurements are in good agreement and reveal a surprisingly large κ for cubic CaPv that can be explained on the basis of its high crystal structure symmetry. Despite its relatively low abundance, CaPv's κ increases the lower mantle κ by ~10 %, if accounted for. κ of mantle regions enriched in subducted crustal materials will be more strongly impacted.
- Authors:
-
[3];
[5];
[6]
- Columbia Univ., New York, NY (United States)
- Beijing Normal University (China); Beijing Computational Science Research Center (China)
- Tokyo Institute of Technology (Japan)
- Tokyo Institute of Technology (Japan); National Inst. of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan)
- Univ. of Tokyo (Japan). Dept. of Physics; Tokyo Institute of Technology (Japan)
- Columbia Univ., New York, NY (United States). Lamont-Doherty Earth Observatory
- Publication Date:
- Research Org.:
- Columbia Univ., New York, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC); National Science Foundation (NSF); Japan Society for the Promotion of Science (JSPS) (KAKENHI)
- OSTI Identifier:
- 1979678
- Grant/Contract Number:
- SC0019759; EAR-1918126; ACI-1548562; ACI-1134872; 19H01995; 16H06285
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review. B
- Additional Journal Information:
- Journal Volume: 104; Journal Issue: 18; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Materials Science; Physics; anharmonic lattice dynamics; phonons; pressure effects; thermal conductivity; perovskites; first-principles calculations; molecular dynamics; thermoreflectance
Citation Formats
Zhang, Zhen, Zhang, Dong-Bo, Onga, Kotaro, Hasegawa, Akira, Ohta, Kenji, Hirose, Kei, and Wentzcovitch, Renata M. Thermal conductivity of CaSiO3 perovskite at lower mantle conditions. United States: N. p., 2021.
Web. doi:10.1103/physrevb.104.184101.
Zhang, Zhen, Zhang, Dong-Bo, Onga, Kotaro, Hasegawa, Akira, Ohta, Kenji, Hirose, Kei, & Wentzcovitch, Renata M. Thermal conductivity of CaSiO3 perovskite at lower mantle conditions. United States. https://doi.org/10.1103/physrevb.104.184101
Zhang, Zhen, Zhang, Dong-Bo, Onga, Kotaro, Hasegawa, Akira, Ohta, Kenji, Hirose, Kei, and Wentzcovitch, Renata M. Thu .
"Thermal conductivity of CaSiO3 perovskite at lower mantle conditions". United States. https://doi.org/10.1103/physrevb.104.184101. https://www.osti.gov/servlets/purl/1979678.
@article{osti_1979678,
title = {Thermal conductivity of CaSiO3 perovskite at lower mantle conditions},
author = {Zhang, Zhen and Zhang, Dong-Bo and Onga, Kotaro and Hasegawa, Akira and Ohta, Kenji and Hirose, Kei and Wentzcovitch, Renata M.},
abstractNote = {Thermal conductivity (κ) of mantle minerals is key to understanding dynamics in the deep Earth. It controls the style of mantle convection and the timescale of cooling both the mantle and the core. Cubic CaSiO3 perovskite (CaPv) is the third most abundant mineral in the lower mantle (7 vol %). Despite its importance, no theoretical or experimental estimate of CaPv's κ is available. Theoretical investigations of its properties are challenging because of its strong anharmonicity. Experimental measurements at relevant pressures and temperatures are equally challenging. Here we present ab initio results for CaPv's κ obtained using the phonon quasiparticle approach to address its strong anharmonicity. We also offer experimental measurements of κ up to 67 GPa and 1950 K. Predictions and measurements are in good agreement and reveal a surprisingly large κ for cubic CaPv that can be explained on the basis of its high crystal structure symmetry. Despite its relatively low abundance, CaPv's κ increases the lower mantle κ by ~10 %, if accounted for. κ of mantle regions enriched in subducted crustal materials will be more strongly impacted.},
doi = {10.1103/physrevb.104.184101},
journal = {Physical Review. B},
number = 18,
volume = 104,
place = {United States},
year = {Thu Nov 04 00:00:00 EDT 2021},
month = {Thu Nov 04 00:00:00 EDT 2021}
}
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