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

被引:6
作者
De Francesco, Alessio [1 ]
Scaccia, Luisa [2 ]
Maccarini, Marco [3 ]
Formisano, Ferdinando [1 ]
Guarini, Eleonora [4 ]
Bafile, Ubaldo [5 ]
Cunsolo, Alessandro [6 ]
机构
[1] CNR, Ist Officina Mat, OGG, Inst Laue Langevin, F-38042 Grenoble, France
[2] Univ Macerata, Dipartimento Econ & Diritto, Via Crescimbeni 20, I-62100 Macerata, Italy
[3] Univ Grenoble Alpes, Lab TIMC IMAG UMR CNRS Grenoble 5525, F-38000 Grenoble, France
[4] Univ Firenze, Dipartimento Fis & Astron, Via G Sansone 1, I-50019 Sesto Fiorentino, Italy
[5] CNR, Ist Fis Applicata Nello Carrara, Via Madonna del Piano 10, I-50019 Sesto Fiorentino, Italy
[6] Brookhaven Natl Lab, Natl Synchrotron Light Source NSLS II, POB 5000, Upton, NY 11973 USA
关键词
terahertz spectroscopy; Bayesian analysis; model choice; liquids dynamics; inelastic neutron scattering; inelastic X-ray scattering; COLLECTIVE EXCITATIONS; TRANSVERSE DYNAMICS; NEUTRON-SCATTERING; HEAVY-WATER; FAST SOUND; LIQUID; RELAXATION; BEHAVIOR; DENSITY; MODES;
D O I
10.3390/ma12182914
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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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页数:16
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