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
Ammann M
(2012)
Diffusion of aluminium in MgO from first principles
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
(2010)
Simulating Diffusion
in Reviews in Mineralogy and Geochemistry
Ammann M
(2014)
Variation of thermal conductivity and heat flux at the Earth's core mantle boundary
in Earth and Planetary Science Letters
Ammann M
(2011)
Ferrous iron diffusion in ferro-periclase across the spin transition
in Earth and Planetary Science Letters
Ammann M
(2014)
Variation of thermal conductivity and heat flux at the Earth's core mantle boundary
in Earth and Planetary Science Letters
Ammann Michael W.
(2009)
Absolute diffusion rates in MgSiO
3 perovskite and post-perovskite
in GEOCHIMICA ET COSMOCHIMICA ACTA
Ammann MW
(2010)
First-principles constraints on diffusion in lower-mantle minerals and a weak D'' layer.
in Nature
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
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
Brodholt J
(2017)
Composition of the low seismic velocity E ' layer at the top of Earth's core
in Geophysical Research Letters
Brodholt J
(2013)
Earth science: Water may be a damp squib.
in Nature
Brodholt John
(2009)
The rheological properties of post-perovskite and implications for D"
in GEOCHIMICA ET COSMOCHIMICA ACTA
Brodholt John
(2013)
EARTH SCIENCE Water may be a damp squib
in NATURE
Chotalia K
(2020)
The coupled effects of mantle mixing and a water-dependent viscosity on the surface ocean
in Earth and Planetary Science Letters
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
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
Côté A
(2008)
Light elements in the core: Effects of impurities on the phase diagram of iron
in Geophysical Research Letters
Côté A
(2012)
Ab initio simulations of iron-nickel alloys at Earth's core conditions
in Earth and Planetary Science Letters
De Koker N
(2013)
Thermodynamics of the MgO-SiO2 liquid system in Earth's lowermost mantle from first principles
in Earth and Planetary Science Letters
Di Paola C
(2016)
Modeling the melting of multicomponent systems: the case of MgSiO3 perovskite under lower mantle conditions.
in Scientific reports
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
Drewitt J
(2022)
Hydrous silicate melts and the deep mantle H2O cycle
in Earth and Planetary Science Letters
GRINDROD P
(2008)
The long-term stability of a possible aqueous ammonium sulfate ocean inside Titan
in Icarus
Hernández E
(2013)
The incorporation of water into lower-mantle perovskites: A first-principles study
in Earth and Planetary Science Letters
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
Huang D
(2019)
Ab Initio Molecular Dynamics Investigation of Molten Fe-Si-O in Earth's Core
in Geophysical Research Letters
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
Hunt S
(2009)
Weakening of calcium iridate during its transformation from perovskite to post-perovskite
in Nature Geoscience
Hunt S
(2009)
Deformation of olivine at 5GPa and 350-900°C
in Physics of the Earth and Planetary Interiors
Jakymiw C
(2017)
The phase diagrams of KCaF3 and NaMgF3 by ab initio simulations
in Physics and Chemistry of Minerals
Karki B
(2013)
First principles viscosity and derived models for MgO-SiO 2 melt system at high temperature
in Geophysical Research Letters
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
Li L
(2011)
Ab initio molecular dynamic simulation on the elasticity of Mg3Al2Si3O12 pyrope
in Journal of Earth Science
Li L
(2009)
Ab initio molecular dynamics study of elasticity of akimotoite MgSiO3 at mantle conditions
in Physics of the Earth and Planetary Interiors
Li Y
(2018)
The elastic properties of hcp-Fe alloys under the conditions of the Earth's inner core
in Earth and Planetary Science Letters
Li Y
(2020)
The Earth's core as a reservoir of water
in Nature Geoscience
Li Y
(2016)
Thermoelasticity of Fe 7 C 3 under inner core conditions
in Journal of Geophysical Research: Solid Earth
Li Y
(2018)
Mg partitioning between solid and liquid iron under the Earth's core conditions
in Physics of the Earth and Planetary Interiors
Li Y
(2019)
Carbon Partitioning Between the Earth's Inner and Outer Core
in Journal of Geophysical Research: Solid Earth
Li Y
(2021)
Equation of state for CO and CO2 fluids and their application on decarbonation reactions at high pressure and temperature
in Chemical Geology
Lindsay-Scott A
(2010)
The isothermal equation of state of CaPtO3 post-perovskite to 40GPa
in Physics of the Earth and Planetary Interiors
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
Martorell B
(2015)
The elastic properties and stability of fcc-Fe and fcc-FeNi alloys at inner-core conditions
in Geophysical Journal International
Martorell B
(2013)
Strong Premelting Effect in the Elastic Properties of hcp-Fe Under Inner-Core Conditions
in Science
Martorell B
(2013)
The effect of nickel on the properties of iron at the conditions of Earth's inner core: Ab initio calculations of seismic wave velocities of Fe-Ni alloys
in Earth and Planetary Science Letters
Martorell B
(2016)
The elastic properties of hcp-Fe 1-x Si x at Earth's inner-core conditions
in Earth and Planetary Science Letters
Muir J
(2015)
Elastic properties of ferrous bearing MgSiO3 and their relevance to ULVZs
in Geophysical Journal International
Muir J
(2016)
Ferrous iron partitioning in the lower mantle
in Physics of the Earth and Planetary Interiors
| 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 |