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
Keen H
(2021)
Ab initio study of pressure-induced structural and electronic phase transitions in Ca 2 RuO 4
in Physical Review B
Massani B
(2022)
Ammonia Mono Hydrate IV: An Attempted Structure Solution
in Crystals
Magdau I
(2017)
Charge density wave in hydrogen at high pressure
in Journal of Physics: Conference Series
Zhao L
(2019)
Commensurate-incommensurate phase transition of dense potassium simulated by machine-learned interatomic potential
in Physical Review B
Chen Q
(2020)
Composition-Gradient-Mediated Semiconductor-Metal Transition in Ternary Transition-Metal-Dichalcogenide Bilayers.
in ACS applied materials & interfaces
Liu XD
(2020)
Counterintuitive effects of isotopic doping on the phase diagram of H2-HD-D2 molecular alloy.
in Proceedings of the National Academy of Sciences of the United States of America
Woolman G
(2022)
Detectability of core-level crossing and electronic topological transformations: The case of osmium
in Physical Review B
Zong H
(2018)
Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning
in npj Computational Materials
Peng Y
(2017)
Elasticity of phase-Pi (Al3Si2O7(OH)3) - A hydrous aluminosilicate phase
in Physics of the Earth and Planetary Interiors
Wang Y
(2021)
Electronically Driven 1D Cooperative Diffusion in a Simple Cubic Crystal
in Physical Review X
Li H
(2023)
Enhancing the stability of the ? phase of zirconium alloys via local interlayer twists
in Physical Review B
Li X
(2021)
First principles study of dense and metallic nitric sulfur hydrides.
in Communications chemistry
Binns J
(2018)
Formation of H 2 -rich iodine-hydrogen compounds at high pressure
in Physical Review B
Zong H
(2021)
Free electron to electride transition in dense liquid potassium
in Nature Physics
Marqués M
(2023)
H 2 Chemical Bond in a High-Pressure Crystalline Environment
in The Journal of Physical Chemistry C
Zong H
(2019)
hcp ? ? phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study
in Acta Materialia
Pruteanu CG
(2022)
How to determine solubility in binary mixtures from neutron scattering data: The case of methane and water.
in The Journal of chemical physics
Magdau IB
(2017)
Infrared Peak Splitting from Phonon Localization in Solid Hydrogen.
in Physical review letters
Xu W
(2021)
Ionic Phases of Ammonia-Rich Hydrate at High Densities.
in Physical review letters
Van De Bund S
(2021)
Isotope Quantum Effects in the Metallization Transition in Liquid Hydrogen.
in Physical review letters
Ramsey S
(2020)
Localization effects on the vibron shifts in helium-hydrogen mixtures
in Physical Review B
Underwood T
(2017)
monteswitch : A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo
in Computer Physics Communications
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
Li Q
(2021)
Nonexistence of the s - f volume-collapse transition in solid gadolinium at pressure
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 |