A thorough analysis of the transverse current autocorrelation function obtained by molecular dynamics simulations of a dense Lennard-Jones fluid reveals that even such a simple system is characterized by a varied dynamical behavior with changing length scale. By using the exponential expansion theory, we provide a full account of the time correlation at wavevectors Q between the upper boundary of the hydrodynamic region and Qp/2, with Qp being the position of the main peak of the static structure factor. In the Q range studied, we identify and accurately locate the wavevector at which shear wave propagation starts to take place, and show clearly how this phenomenon may be represented by a damped harmonic oscillator changing, in a continuous way, from an overdamped to an underdamped condition. The decomposition into exponential modes allows one to convincingly establish not only the crossover related to the onset of transverse waves but, surprisingly, also the existence of a second pair of modes equivalent to another oscillator that undergoes, at higher Q values, a similarly smooth over to underdamped transition.

Onset of collective excitations in the transverse dynamics of simple fluids / Guarini, Eleonora; Neumann, Martin; De Francesco, Alessio; Formisano, Ferdinando; Cunsolo, Alessandro; Montfrooij, Wouter; Colognesi, Daniele; Bafile, Ubaldo. - In: PHYSICAL REVIEW. E. - ISSN 2470-0045. - STAMPA. - 107:(2023), pp. 014139.1-014139.8. [10.1103/PhysRevE.107.014139]

Onset of collective excitations in the transverse dynamics of simple fluids

Guarini, Eleonora
Conceptualization
;
2023

Abstract

A thorough analysis of the transverse current autocorrelation function obtained by molecular dynamics simulations of a dense Lennard-Jones fluid reveals that even such a simple system is characterized by a varied dynamical behavior with changing length scale. By using the exponential expansion theory, we provide a full account of the time correlation at wavevectors Q between the upper boundary of the hydrodynamic region and Qp/2, with Qp being the position of the main peak of the static structure factor. In the Q range studied, we identify and accurately locate the wavevector at which shear wave propagation starts to take place, and show clearly how this phenomenon may be represented by a damped harmonic oscillator changing, in a continuous way, from an overdamped to an underdamped condition. The decomposition into exponential modes allows one to convincingly establish not only the crossover related to the onset of transverse waves but, surprisingly, also the existence of a second pair of modes equivalent to another oscillator that undergoes, at higher Q values, a similarly smooth over to underdamped transition.
2023
107
1
8
Guarini, Eleonora; Neumann, Martin; De Francesco, Alessio; Formisano, Ferdinando; Cunsolo, Alessandro; Montfrooij, Wouter; Colognesi, Daniele; Bafile, Ubaldo
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Utilizza questo identificatore per citare o creare un link a questa risorsa: https://hdl.handle.net/2158/1297320
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