The proton quantum states of the amorphous ices (VESUVIO)

DOI

While we now have a complete picture of the average local and intermediate structures of the various amorphous ices, their dynamic behaviour (glass transition and defect migration) and the classification into distinct states are still debated. Ultimately, definitive answers may only be found with a more detailed knowledge of the low-temperature potential energy landscape of water. This proposal is part of a theoretical and experimental characterization programme of the proton quantum states in the condensed water phases which include: a series of inelastic experiments as well as theoretical simulations (Ab-Initio Path Integral Molecular Dynamics). The VESUVIO data together with the AIPIMD simulations and INS experiments on MARI will provide unique information on the proton quantum dynamics of the amorphous ices from the intermolecular and intramolecular vibrations up to the DINS regime.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24090147
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24090147
Provenance
Creator Professor Christoph Salzmann; Professor Carla Andreani; Professor Roberto Senesi; Dr Michele Ceriotti; Dr Alexandra Parmentier; Mr Jacob Shephard
Publisher ISIS Neutron and Muon Source
Publication Year 2016
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Photon- and Neutron Geosciences
Temporal Coverage Begin 2013-02-20T15:49:04Z
Temporal Coverage End 2013-02-28T10:42:22Z