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Title: The Proton Density of States in Confined Water (H2O)

Abstract

The hydrogen density of states (DOS) in confined water has been probed by inelastic neutron scattering spectra in a wide range of its P–T phase diagram. The liquid–liquid transition and the dynamical crossover from the fragile (super-Arrhenius) to strong (Arrhenius) glass forming behavior have been studied, by taking into account the system polymorphism in both the liquid and amorphous solid phases. The interest is focused in the low energy region of the DOS ( E < 10 meV) and the data are discussed in terms of the energy landscape (local minima of the potential energy) approach. In this latest research, we consider a unit scale energy (EC) linked to the water local order governed by the hydrogen bonding (HB). All the measured spectra, scaled according to such energy, evidence a universal power law behavior with different exponents ( γ ) in the strong and fragile glass forming regions, respectively. In the first case, the DOS data obey the Debye squared-frequency law, whereas, in the second one, we obtain a value predicted in terms of the mode-coupling theory (MCT) ( γ ≃ 1.6 ).

Authors:
; ORCiD logo; ORCiD logo; ORCiD logo; ORCiD logo
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1572573
Grant/Contract Number:  
FG02-90ER45429
Resource Type:
Published Article
Journal Name:
International Journal of Molecular Sciences (Online)
Additional Journal Information:
Journal Name: International Journal of Molecular Sciences (Online) Journal Volume: 20 Journal Issue: 21; Journal ID: ISSN 1422-0067
Publisher:
MDPI AG
Country of Publication:
Switzerland
Language:
English

Citation Formats

Chen, Sow-Hsin, Corsaro, Carmelo, Mallamace, Francesco, Fazio, Enza, and Mallamace, Domenico. The Proton Density of States in Confined Water (H2O). Switzerland: N. p., 2019. Web. doi:10.3390/ijms20215373.
Chen, Sow-Hsin, Corsaro, Carmelo, Mallamace, Francesco, Fazio, Enza, & Mallamace, Domenico. The Proton Density of States in Confined Water (H2O). Switzerland. doi:10.3390/ijms20215373.
Chen, Sow-Hsin, Corsaro, Carmelo, Mallamace, Francesco, Fazio, Enza, and Mallamace, Domenico. Tue . "The Proton Density of States in Confined Water (H2O)". Switzerland. doi:10.3390/ijms20215373.
@article{osti_1572573,
title = {The Proton Density of States in Confined Water (H2O)},
author = {Chen, Sow-Hsin and Corsaro, Carmelo and Mallamace, Francesco and Fazio, Enza and Mallamace, Domenico},
abstractNote = {The hydrogen density of states (DOS) in confined water has been probed by inelastic neutron scattering spectra in a wide range of its P–T phase diagram. The liquid–liquid transition and the dynamical crossover from the fragile (super-Arrhenius) to strong (Arrhenius) glass forming behavior have been studied, by taking into account the system polymorphism in both the liquid and amorphous solid phases. The interest is focused in the low energy region of the DOS ( E < 10 meV) and the data are discussed in terms of the energy landscape (local minima of the potential energy) approach. In this latest research, we consider a unit scale energy (EC) linked to the water local order governed by the hydrogen bonding (HB). All the measured spectra, scaled according to such energy, evidence a universal power law behavior with different exponents ( γ ) in the strong and fragile glass forming regions, respectively. In the first case, the DOS data obey the Debye squared-frequency law, whereas, in the second one, we obtain a value predicted in terms of the mode-coupling theory (MCT) ( γ ≃ 1.6 ).},
doi = {10.3390/ijms20215373},
journal = {International Journal of Molecular Sciences (Online)},
number = 21,
volume = 20,
place = {Switzerland},
year = {2019},
month = {10}
}

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DOI: 10.3390/ijms20215373

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