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
Zong H
(2018)
Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning
in npj Computational Materials
Azadi S
(2017)
The role of van der Waals and exchange interactions in high-pressure solid hydrogen.
in Physical chemistry chemical physics : PCCP
Zhu L
(2017)
Origin of the abnormal diffusion of transition metal atoms in rutile
in Physical Review B
Li Q
(2021)
Nonexistence of the s - f volume-collapse transition in solid gadolinium at pressure
in Physical Review B
Ackland G
(2021)
Two-state model for critical points and the negative slope of the melting curve
in Physical Review B
Van De Bund S
(2020)
Quadrupole arrangements and the ground state of solid hydrogen
in Physical Review B
Magdau I
(2017)
Simple thermodynamic model for the hydrogen phase diagram
in Physical Review B
Li H
(2023)
Enhancing the stability of the ? phase of zirconium alloys via local interlayer twists
in Physical Review B
Binns J
(2018)
Formation of H 2 -rich iodine-hydrogen compounds at high pressure
in Physical Review B
Keen H
(2021)
Ab initio study of pressure-induced structural and electronic phase transitions in Ca 2 RuO 4
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 |