Simulating the lattice thermal conductivity of iron-bearing bridgmanite with implications on core-mantle boundary heat flux

Todd, Benjamin John (2019) Simulating the lattice thermal conductivity of iron-bearing bridgmanite with implications on core-mantle boundary heat flux. PhD thesis, University of Leeds.

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Supervisors: Stackhouse, Stephen and Walker, Andrew and Mound, Jon
Keywords: bridgmanite thermal conductivity finite size effects lower mantle molecular dynamics green kubo direct method large low shear velocity provinces LLSVP magnesium silicate perovskite iron mg fe endmember solid solution impurities impurity content composition compositional model core mantle boundary lateral variation heat flux classical potential oganov LAMMPS molecular computational modelling atomic scale simulation temperature gradient auto correlation function phonon defect boundary scattering high pressure temperature composition saturation thermal thermochemical seismic anomaly
Awarding institution: University of Leeds
Academic Units: The University of Leeds > Faculty of Environment (Leeds)
The University of Leeds > Faculty of Environment (Leeds) > School of Earth and Environment (Leeds)
The University of Leeds > Faculty of Environment (Leeds) > School of Earth and Environment (Leeds) > Institute of Geophysics and Tectonics (Leeds)
Identification Number/EthosID: uk.bl.ethos.797994
Depositing User: Dr. Ben Todd
Date Deposited: 29 Jan 2020 13:03
Last Modified: 11 Feb 2022 10:53

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