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
Di Paola C
(2016)
Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions.
in Scientific reports
Martorell B
(2013)
Strong Premelting Effect in the Elastic Properties of hcp-Fe Under Inner-Core Conditions
in Science
Ammann M
(2010)
Simulating Diffusion
in Reviews in Mineralogy and Geochemistry
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
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
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
Tackley P
(2014)
Habitable Planets: Interior Dynamics and Long-Term Evolution
in Proceedings of the International Astronomical Union
Li L
(2011)
Prospecting for water in the transition zone: d ln(Vs)/d ln(Vp)
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
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
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)
Structure and elasticity of hydrous ringwoodite: A first principle investigation
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
Muir J
(2020)
Ferric iron in bridgmanite and implications for ULVZs
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
Hunt S
(2009)
Deformation of olivine at 5GPa and 350-900°C
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
Muir J
(2016)
Ferrous iron partitioning in the lower mantle
in Physics of the Earth and Planetary Interiors
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
Van Driel J
(2020)
The discontinuous effect of pressure on twin boundary strength in MgO
in Physics and Chemistry of Minerals
Ono S
(2008)
First-principles simulation of high-pressure polymorphs in MgAl2O4
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
Ammann M
(2008)
DFT study of migration enthalpies in MgSiO3 perovskite
in Physics and Chemistry of Minerals
Ammann M
(2012)
Diffusion of aluminium in MgO from first principles
in Physics and Chemistry of Minerals
Stackhouse S
(2010)
Thermal conductivity of periclase (MgO) from first principles.
in Physical review letters
Sun T
(2018)
Melting properties from ab initio free energy calculations: Iron at the Earth's inner-core boundary
in Physical Review B
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
Wang W
(2021)
Sulfur isotopic signature of Earth established by planetesimal volatile evaporation
in Nature Geoscience
Hunt S
(2009)
Weakening of calcium iridate during its transformation from perovskite to post-perovskite
in Nature Geoscience
Li Y
(2020)
The Earth's core as a reservoir of water
in Nature Geoscience
Brodholt J
(2013)
Earth science: Water may be a damp squib.
in Nature
Thomson A
(2019)
Seismic velocities of CaSiO3 perovskite can explain LLSVPs in Earth's lower mantle
in Nature
Ammann MW
(2010)
First-principles constraints on diffusion in lower-mantle minerals and a weak D'' layer.
in Nature
Brodholt John
(2013)
EARTH SCIENCE Water may be a damp squib
in NATURE
Ono S
(2018)
Phase transitions of BaCO 3 at high pressures
in Mineralogical Magazine
Ono S
(2008)
Structural phase transitions in IrO 2 at high pressures
in Journal of Physics: Condensed Matter
Côté A
(2008)
The effect of silicon impurities on the phase diagram of iron and possible implications for the Earth's core structure
in Journal of Physics and Chemistry of Solids
Ono S
(2011)
Elastic, thermal and structural properties of platinum
in Journal of Physics and Chemistry of Solids
Zhang Z
(2018)
Stability and Reactions of CaCO 3 Polymorphs in the Earth's Deep Mantle
in Journal of Geophysical Research: Solid Earth
Li Y
(2019)
Carbon Partitioning Between the Earth's Inner and Outer Core
in Journal of Geophysical Research: Solid Earth
Li Y
(2016)
Thermoelasticity of Fe 7 C 3 under inner core conditions
in Journal of Geophysical Research: Solid Earth
Li L
(2011)
Ab initio molecular dynamic simulation on the elasticity of Mg3Al2Si3O12 pyrope
in Journal of Earth Science
Ono S
(2008)
Ab initio molecular dynamics simulations for thermal equation of state of B2-type NaCl
in Journal of Applied Physics
Lindsay-Scott A
(2011)
Thermoelastic properties and crystal structure of CaPtO 3 post-perovskite from 0 to 9 GPa and from 2 to 973 K
in Journal of Applied Crystallography
Tackley P
(2013)
Mantle dynamics in super-Earths: Post-perovskite rheology and self-regulation of viscosity
in Icarus
GRINDROD P
(2008)
The long-term stability of a possible aqueous ammonium sulfate ocean inside Titan
in Icarus
Côté A
(2008)
Light elements in the core: Effects of impurities on the phase diagram of iron
in Geophysical Research Letters
Karki B
(2013)
First principles viscosity and derived models for MgO-SiO 2 melt system at high temperature
in Geophysical Research Letters
Huang D
(2019)
Ab Initio Molecular Dynamics Investigation of Molten Fe-Si-O in Earth's Core
in Geophysical Research Letters
| 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 |