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
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 to oscillations. 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. Adding metallic ions to hydrogen breaks chemical bonds High pressure hydrogen has quantum effects (difference between H and D) at thousands of Kelvins associated with bond breaking |
Exploitation Route | Experimental verification of the predictions has been done by collaborators in Utah using synchrotron radiation Superconducting hydride materials can be synthesized |
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 |
Description | New course materials developed for undergraduates at Edinburgh |
First Year Of Impact | 2022 |
Sector | Education |