NERC High Performance Computing (ARCHER-JASMIN)
Lead Research Organisation:
Natural Environment Research Council
Department Name: UNLISTED
Abstract
Abstracts are not currently available in GtR for all funded research. This is normally because the abstract was not required at the time of proposal submission, but may be because it included sensitive information such as personal details.
People |
ORCID iD |
| John Brodholt (Principal Investigator) |
Publications
Li Y
(2020)
The Earth's core as a reservoir of water
in Nature Geoscience
Hunt S
(2009)
Weakening of calcium iridate during its transformation from perovskite to post-perovskite
in Nature Geoscience
Sola E
(2009)
Equation of state of hexagonal closed packed iron under Earth's core conditions from quantum Monte Carlo calculations
in Physical Review B
Sun T
(2018)
Melting properties from ab initio free energy calculations: Iron at the Earth's inner-core boundary
in Physical Review B
Stackhouse S
(2010)
Thermal conductivity of periclase (MgO) from first principles.
in Physical review letters
Ono S
(2008)
First-principles simulation of high-pressure polymorphs in MgAl2O4
in Physics and Chemistry of Minerals
Ammann M
(2012)
Diffusion of aluminium in MgO from first principles
in Physics and Chemistry of Minerals
Van Driel J
(2020)
The discontinuous effect of pressure on twin boundary strength in MgO
in Physics and Chemistry of Minerals
Ammann M
(2008)
DFT study of migration enthalpies in MgSiO3 perovskite
in Physics and Chemistry of Minerals
Jakymiw C
(2017)
The phase diagrams of KCaF3 and NaMgF3 by ab initio simulations
in Physics and Chemistry of Minerals
Hunt S
(2010)
Relative strength of the pyrope-majorite solid solution and the flow-law of majorite containing garnets
in Physics of the Earth and Planetary Interiors
Stackhouse S
(2008)
Elastic properties of the post-perovskite phase of Fe2O3 and implications for ultra-low velocity zones
in Physics of the Earth and Planetary Interiors
Li L
(2009)
Ab initio molecular dynamics study of elasticity of akimotoite MgSiO3 at mantle conditions
in Physics of the Earth and Planetary Interiors
Lindsay-Scott A
(2010)
The isothermal equation of state of CaPtO3 post-perovskite to 40GPa
in Physics of the Earth and Planetary Interiors
Li Y
(2018)
Mg partitioning between solid and liquid iron under the Earth's core conditions
in Physics of the Earth and Planetary Interiors
Vocadlo L
(2008)
The stability of bcc-Fe at high pressures and temperatures with respect to tetragonal strain
in Physics of the Earth and Planetary Interiors
Hunt S
(2009)
Deformation of olivine at 5GPa and 350-900°C
in Physics of the Earth and Planetary Interiors
Côté A
(2010)
Ab initio lattice dynamics calculations on the combined effect of temperature and silicon on the stability of different iron phases in the Earth's inner core
in Physics of the Earth and Planetary Interiors
Muir J
(2016)
Ferrous iron partitioning in the lower mantle
in Physics of the Earth and Planetary Interiors
Muir J
(2020)
Ferric iron in bridgmanite and implications for ULVZs
in Physics of the Earth and Planetary Interiors
Hernández E
(2015)
Structural, vibrational and thermodynamic properties of Mg 2 SiO 4 and MgSiO 3 minerals from first-principles simulations
in Physics of the Earth and Planetary Interiors
Li L
(2009)
Structure and elasticity of hydrous ringwoodite: A first principle investigation
in Physics of the Earth and Planetary Interiors
Li L
(2011)
Prospecting for water in the transition zone: d ln(Vs)/d ln(Vp)
in Physics of the Earth and Planetary Interiors
Tackley P
(2014)
Habitable Planets: Interior Dynamics and Long-Term Evolution
in Proceedings of the International Astronomical Union
Badro J
(2015)
Core formation and core composition from coupled geochemical and geophysical constraints.
in Proceedings of the National Academy of Sciences of the United States of America
Badro J
(2014)
A seismologically consistent compositional model of Earth's core.
in Proceedings of the National Academy of Sciences of the United States of America
Dobson DP
(2019)
Anisotropic diffusion creep in postperovskite provides a new model for deformation at the core-mantle boundary.
in Proceedings of the National Academy of Sciences of the United States of America
Ammann M
(2010)
Simulating Diffusion
in Reviews in Mineralogy and Geochemistry
Martorell B
(2013)
Strong Premelting Effect in the Elastic Properties of hcp-Fe Under Inner-Core Conditions
in Science
Di Paola C
(2016)
Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions.
in Scientific reports
| Description | This provided HPC facilities for a large number of UK researchers in mineral physics. This produced work from the adsortion of Arsenic onto mineral surfaces, to estimates of the composition of the core. Recent highlights are new estimates for the composition of the Earth's inner and outer core. New insights into the role of water on the strengths of mantle minerals |
| Exploitation Route | Not sure yet. |
| Sectors | Chemicals Environment |