Support for the UKCP consortium
Lead Research Organisation:
University of Edinburgh
Department Name: Sch of Physics and Astronomy
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.
Organisations
Publications
Martinez-Canales M
(2017)
No experimental Fermi surface measurements have been reported or made on low-temperature martensitic lithium.
in Proceedings of the National Academy of Sciences of the United States of America
Zhu L
(2017)
Origin of the abnormal diffusion of transition metal atoms in rutile
in Physical Review B
Magdau IB
(2017)
Infrared Peak Splitting from Phonon Localization in Solid Hydrogen.
in Physical review letters
Magdau I
(2017)
Simple thermodynamic model for the hydrogen phase diagram
in Physical Review B
Peng Y
(2017)
Elasticity of phase-Pi (Al3Si2O7(OH)3) - A hydrous aluminosilicate phase
in Physics of the Earth and Planetary Interiors
Azadi S
(2017)
The role of van der Waals and exchange interactions in high-pressure solid hydrogen.
in Physical chemistry chemical physics : PCCP
Magdau I
(2017)
Theory of high pressure hydrogen, made simple
in Journal of Physics: Conference Series
Pruteanu CG
(2017)
When immiscible becomes miscible-Methane in water at high pressures.
in Science advances
Loach CH
(2017)
Stacking Characteristics of Close Packed Materials.
in Physical review letters
Ackland GJ
(2017)
Quantum and isotope effects in lithium metal.
in Science (New York, N.Y.)
Underwood T
(2017)
monteswitch : A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo
in Computer Physics Communications
Naden Robinson V
(2017)
Stabilization of ammonia-rich hydrate inside icy planets.
in Proceedings of the National Academy of Sciences of the United States of America
Magdau I
(2017)
Charge density wave in hydrogen at high pressure
in Journal of Physics: Conference Series
Hobday CL
(2018)
Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling.
in Nature communications
Woolman G
(2018)
Structural and electronic properties of the alkali metal incommensurate phases
in Physical Review Materials
Binns J
(2018)
Formation of H 2 -rich iodine-hydrogen compounds at high pressure
in Physical Review B
Zong H
(2018)
Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning
in npj Computational Materials
Zong H
(2019)
hcp ? ? phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study
in Acta Materialia
Zhao L
(2019)
Commensurate-incommensurate phase transition of dense potassium simulated by machine-learned interatomic potential
in Physical Review B
Naden Robinson V
(2019)
On the chain-melted phase of matter
in Proceedings of the National Academy of Sciences
Geng H
(2019)
Thermodynamic anomalies and three distinct liquid-liquid transitions in warm dense liquid hydrogen
in Physical Review B
Van De Bund S
(2020)
Quadrupole arrangements and the ground state of solid hydrogen
in Physical Review B
Ramsey S
(2020)
Localization effects on the vibron shifts in helium-hydrogen mixtures
in Physical Review B
Cooke P
(2020)
Raman signal from a hindered hydrogen rotor
in Physical Review B
Description | The most stable arrangement for atoms in lithium is fcc, not some complicated structure as previously believed. Hydrogen Raman spectra can be characterised by quantum calculations and are not simply due tooscillations. Chain melting in Potassium is a phase transformation to a new state of matter Water can be subducted into the earth in a mineral called brucite Machine learning can be used to make interatomic potentials for systems with multiple phase transformations Dynamic compression of zirconium can form crystal structures which do not exist in static compression. |
Exploitation Route | Experimental verification of the predictions has been done by collaborators in Utah using synchrotron radiation |
Sectors | Aerospace, Defence and Marine,Energy,Manufacturing, including Industrial Biotechology |
URL | https://www.research.ed.ac.uk/portal/en/persons/graeme-ackland(8ef4b611-a8a7-441a-8cab-b47d30cb8dcf).html |