Ice phonon spectra and Bayes inference: A gateway to a new understanding of terahertz sound propagation in water

Author:

De Francesco A.1ORCID,Formisano F.1ORCID,Scaccia L.2ORCID,Guarini E.3ORCID,Bafile U.4ORCID,Alatas A.5ORCID,Lynch S. T.6ORCID,Cunsolo A.6ORCID

Affiliation:

1. CNR-IOM and INSIDE@ILL c/o Operative Group in Grenoble (OGG), and Institut Laue Langevin 1 , F-38042 Grenoble, France

2. Dipartimento di Economia e Diritto, Università di Macerata 2 , Via Crescimbeni 20, 62100 Macerata, Italy

3. Dipartimento di Fisica e Astronomia, Università di Firenze 3 , Via G. Sansone 1, I-50019 Sesto Fiorentino, Italy

4. Consiglio Nazionale delle Ricerche, Istituto di Fisica Applicata “Nello Carrara 4 , ”Via Madonna del Piano 10, I-50019 Sesto Fiorentino, Italy

5. Argonne National Laboratory, Advanced Photon Source 5 , P.O. Box 5000, Upton, New York 11973, USA

6. Department of Physics, University of Wisconsin at Madison 6 , 1150 University Avenue, Madison, Wisconsin 53706, USA

Abstract

Understanding how molecules engage in collective motions in a liquid where a network of bonds exists has both fundamental and applied relevance. On the one hand, it can elucidate the “ordering” role of long-range correlations and inspire new avenues to control such order to implement sound manipulation. Water represents an ideal investigation case to unfold these general aspects, and, across the decades, it has been the focus of thorough scrutiny. Despite this investigative effort, the spectrum of terahertz density fluctuations of water largely remains a puzzle for condensed matter physicists. To unravel it, we compare previous scattering measurements of water spectra with new ones on ice. Owing to the unique asset of Bayesian inference, we draw a more detailed portrayal of the phonon response of ice. The comparison with the one of liquid water challenges the current understanding of density fluctuations in water, or more in general, of any networked liquid.

Funder

Ministero dell’Istruzione, dell’Università e della Ricerca

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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