ISIS Neutron and Muon Source Data Journal

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

Abstract: 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.

Principal Investigator: Dr Ranjan Mittal
Experimenter: Dr Devashi Adroja
Experimenter: Dr Sanjay Kumar Mishra
Experimenter: Dr Samrath Lal Chaplot

DOI: 10.5286/ISIS.E.RB1620263

ISIS Experiment Number: RB1620263

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Ranjan Mittal et al; (2017): Origin of Anomalous Thermal Expansion in Ih phase of Protonated (H2O) and Deuterated (D2O) ice , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620263

Data is released under the CC-BY-4.0 license.