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Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis

In the last few decades, experimental studies of the terahertz spectrum of density fluctuations have considerably improved our knowledge of the mesoscopic dynamics of disordered materials, which also have imposed new demands on the data modelling and interpretation. Indeed, lineshape analyses are no...

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Autores principales: De Francesco, Alessio, Scaccia, Luisa, Maccarini, Marco, Formisano, Ferdinando, Guarini, Eleonora, Bafile, Ubaldo, Cunsolo, Alessandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6766264/
https://www.ncbi.nlm.nih.gov/pubmed/31505798
http://dx.doi.org/10.3390/ma12182914
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author De Francesco, Alessio
Scaccia, Luisa
Maccarini, Marco
Formisano, Ferdinando
Guarini, Eleonora
Bafile, Ubaldo
Cunsolo, Alessandro
author_facet De Francesco, Alessio
Scaccia, Luisa
Maccarini, Marco
Formisano, Ferdinando
Guarini, Eleonora
Bafile, Ubaldo
Cunsolo, Alessandro
author_sort De Francesco, Alessio
collection PubMed
description In the last few decades, experimental studies of the terahertz spectrum of density fluctuations have considerably improved our knowledge of the mesoscopic dynamics of disordered materials, which also have imposed new demands on the data modelling and interpretation. Indeed, lineshape analyses are no longer limited to the phenomenological observation of inelastic features, as in the pioneering stage of Neutron or X-ray spectroscopy, rather aiming at the extraction from their shape of physically relevant quantities, as sound velocity and damping, relaxation times, or other transport coefficients. In this effort, researchers need to face both inherent and practical obstacles, respectively stemming from the highly damped nature of terahertz modes and the limited energy resolution, accessible kinematic region and statistical accuracy of the typical experimental outcome. To properly address these challenges, a global reconsideration of the lineshape modelling and the enforcement of evidence-based probabilistic inference is becoming crucial. Particularly compelling is the possibility of implementing Bayesian inference methods, which we illustrated here through an in-depth discussion of some results recently obtained in the analysis of Neutron and X-ray scattering results.
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spelling pubmed-67662642019-09-30 Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis De Francesco, Alessio Scaccia, Luisa Maccarini, Marco Formisano, Ferdinando Guarini, Eleonora Bafile, Ubaldo Cunsolo, Alessandro Materials (Basel) Review In the last few decades, experimental studies of the terahertz spectrum of density fluctuations have considerably improved our knowledge of the mesoscopic dynamics of disordered materials, which also have imposed new demands on the data modelling and interpretation. Indeed, lineshape analyses are no longer limited to the phenomenological observation of inelastic features, as in the pioneering stage of Neutron or X-ray spectroscopy, rather aiming at the extraction from their shape of physically relevant quantities, as sound velocity and damping, relaxation times, or other transport coefficients. In this effort, researchers need to face both inherent and practical obstacles, respectively stemming from the highly damped nature of terahertz modes and the limited energy resolution, accessible kinematic region and statistical accuracy of the typical experimental outcome. To properly address these challenges, a global reconsideration of the lineshape modelling and the enforcement of evidence-based probabilistic inference is becoming crucial. Particularly compelling is the possibility of implementing Bayesian inference methods, which we illustrated here through an in-depth discussion of some results recently obtained in the analysis of Neutron and X-ray scattering results. MDPI 2019-09-09 /pmc/articles/PMC6766264/ /pubmed/31505798 http://dx.doi.org/10.3390/ma12182914 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
De Francesco, Alessio
Scaccia, Luisa
Maccarini, Marco
Formisano, Ferdinando
Guarini, Eleonora
Bafile, Ubaldo
Cunsolo, Alessandro
Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis
title Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis
title_full Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis
title_fullStr Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis
title_full_unstemmed Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis
title_short Interpreting the Terahertz Spectrum of Complex Materials: The Unique Contribution of the Bayesian Analysis
title_sort interpreting the terahertz spectrum of complex materials: the unique contribution of the bayesian analysis
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6766264/
https://www.ncbi.nlm.nih.gov/pubmed/31505798
http://dx.doi.org/10.3390/ma12182914
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