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
(2019)
hcp ? ? phase transition mechanisms in shocked zirconium: A machine learning based atomic simulation study
in Acta Materialia
Zong H
(2018)
Developing an interatomic potential for martensitic phase transformations in zirconium by machine learning
in npj Computational Materials
Zong H
(2021)
Free electron to electride transition in dense liquid potassium
in Nature Physics
Zong H
(2020)
Understanding high pressure molecular hydrogen with a hierarchical machine-learned potential.
in Nature communications
Zhu L
(2017)
Origin of the abnormal diffusion of transition metal atoms in rutile
in Physical Review B
Zhao L
(2019)
Commensurate-incommensurate phase transition of dense potassium simulated by machine-learned interatomic potential
in Physical Review B
Xu W
(2021)
Ionic Phases of Ammonia-Rich Hydrate at High Densities.
in Physical review letters
Woolman G
(2018)
Structural and electronic properties of the alkali metal incommensurate phases
in Physical Review Materials
Woolman G
(2022)
Detectability of core-level crossing and electronic topological transformations: The case of osmium
in Physical Review B
Wiebe H
(2020)
Phase behavior of the quantum Lennard-Jones solid.
in The Journal of chemical physics
Wang Y
(2021)
Electronically Driven 1D Cooperative Diffusion in a Simple Cubic Crystal
in Physical Review X
Van De Bund S
(2021)
Isotope Quantum Effects in the Metallization Transition in Liquid Hydrogen.
in Physical review letters
Van De Bund S
(2020)
Quadrupole arrangements and the ground state of solid hydrogen
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
Ramsey S
(2020)
Localization effects on the vibron shifts in helium-hydrogen mixtures
in Physical Review B
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
Pruteanu CG
(2017)
When immiscible becomes miscible-Methane in water at high pressures.
in Science advances
Peng Y
(2017)
Elasticity of phase-Pi (Al3Si2O7(OH)3) - A hydrous aluminosilicate phase
in Physics of the Earth and Planetary Interiors
Naden Robinson V
(2019)
On the chain-melted phase of matter
in Proceedings of the National Academy of Sciences
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
Massani B
(2022)
Ammonia Mono Hydrate IV: An Attempted Structure Solution
in Crystals
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
Marqués M
(2023)
H 2 Chemical Bond in a High-Pressure Crystalline Environment
in The Journal of Physical Chemistry C
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
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 |