Origin of Anomalous Thermal Expansion in Ih phase of Protonated (H2O) and Deuterated (D2O) ice

DOI

Among the all known crystalline ice phases, ice (Ih phase) exhibits anomalous thermal expansion behavior. We propose to measure phonon density of state of protonated ice (H2O) and deuterated ice (D2O) in Ih phase at 240 K at different pressures up to 1.8 kbar. The measurements will enable to determination of the energy dependence of the Grüneisen parameters strictly in Ih phase thereby quantitative calculation of the thermal expansion coefficient from phonon data to be undertaken. Apart from the pressure studies, we would also like to measure the temperature dependence of phonon frequencies in the Ih phase of both the protonated (H2O) and deuterated ice (D2O). The combination of temperature and pressure measurements would help to determine the implicit as well as explicit anharmonicities. We also plan to do ab-initio calculations for analysis of the experimental data.

Identifier
DOI https://doi.org/10.5286/ISIS.E.84424823
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/84424823
Provenance
Creator Dr Devashi Adroja; Dr Sanjay Kumar Mishra; Dr Ranjan Mittal; Dr Samrath Lal Chaplot
Publisher ISIS Neutron and Muon Source
Publication Year 2020
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 2017-02-22T09:00:00Z
Temporal Coverage End 2017-02-27T09:00:00Z