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
Ackland GJ
(2017)
Quantum and isotope effects in lithium metal.
in Science (New York, N.Y.)
Magdau I
(2017)
Charge density wave in hydrogen at high pressure
in Journal of Physics: Conference Series
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
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
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 |