EPJ Web of Conferences (Jan 2023)

Open problems in liquids dynamics: The role of neutron scattering

  • Guarini Eleonora,
  • Masini Gianmarco,
  • Bafile Ubaldo,
  • Celli Milva,
  • Colognesi Daniele,
  • Cunsolo Alessandro,
  • Scaccia Luisa,
  • De Francesco Alessio,
  • Formisano Ferdinando

DOI
https://doi.org/10.1051/epjconf/202328604002
Journal volume & issue
Vol. 286
p. 04002

Abstract

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We review recent inelastic neutron scattering experiments aimed at investigating still open issues in the microscopic dynamics of liquids. It is shown that the interpretation of experimental results is put on solid ground by the application of modern methods of analysis and lineshape modelling which ensure the fulfillment of fundamental physical properties that the spectra must obey. This last condition becomes crucial to avoid overinterpretations of the genuine information conveyed by scattering data, especially when studying weak signals in the dynamic structure factor. Moreover, we highlight the different roles that neutron data presently play compared to molecular dynamics simulations depending on the nature of the sample, including the case of quantum liquids. In particular, we show how neutron measurements remain an indispensable benchmark in assessing the present capabilities of classical and quantum simulation methods. We also mention the potential of statistical methods, such as Bayesian inference, when applied to neutron data analysis and the opportunity they provide in establishing the spectral features without arbitrary assumptions on the model lineshape.