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PhD position to study hydrogen diffusion along s ... (No replies)
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Computational modeling of hydrogen diffusion along slip planes in upper mantle silicates
This project will use numerical simulations to explore the mechanism for hydrogen diffusion in the silicate mantle minerals, and its impact on overall dynamics of the Earth's mantle.
Molecular water enters the mantle in subduction zones and affects the state, history, and dynamics of the mantle. Water softens the host crystal structures, like those of silicates, enhances their electrical conductivity, and changes deformation patterns and the resulting textures under stress. In extreme cases, hydrogen can induce melting.
Here we plan to explore the mechanisms, pathways, and associated coefficients for hydrogen diffusion within the two most abundant and relevant phases of the Earth - (Mg,Fe)2SiO4 and (Mg,Fe)SiO3 at realistic conditions of temperature (up to 2000K), pressure (up to 40 GPa), and stress (up to GPa). The thesis involves a research internship in a partner laboratory at the University of Montpellier, where the results of the numerical calculations can be directly compared to experimental data.
To study diffusion we first employ molecular dynamics (MD) simulations based on both ab initio (AI) techniques. They ensure high-quality data over a broad range of thermodynamic conditions. Then we fit reactive interatomic potentials using machine-learning techniques to perform ultra-large-scale simulations.
Then we use the diffusion information to adjust the mantle flow models to constrain rates of water transfer from subducting slabs into the surrounding mantle, via both solid diffusion and transport via melt pockets. This will help us predict patterns of water storage in the mantle, and evaluate the influence of water on overall mantle dynamics.
Requirements
Apply:
This project is run at the University of Oslo and is part of the CompSci doctoral program (https://www.mn.uio.no/compsci/english/projects/).
For more information, please contact Razvan Caracas ([email protected]).
The application deadline for call 1 is March 1st 2021.
Please apply using the guide at:
https://www.mn.uio.no/compsci/english/application/