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
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 |