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Lyapunov modes in three-dimensional Lennard-Jones fluids

M Romero-Bastida1,2 and E Braun2

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Recent studies on the phase-space dynamics of a one-dimensional Lennard-Jones fluid reveal the existence of regular collective perturbations associated with the smallest positive Lyapunov exponents of the system, called hydrodynamic Lyapunov modes, which previously could only be identified in hard-core fluids. In this work we present a systematic study of the Lyapunov exponents and Lyapunov vectors, i.e. perturbations along each direction of phase space, of a three-dimensional Lennard-Jones fluid. By performing the Fourier transform of the spatial density of the coordinate part of the Lyapunov vector components and then time-averaging this result we find convincing signatures of longitudinal modes, with inconclusive evidence of transverse modes for all studied densities. Furthermore, the longitudinal modes can be more clearly identified for the higher density values. Thus, according to our results, the mixing of modes induced by both the dynamics and the dimensionality induces a hitherto unknown type of order in the tangent space of the model herein studied at high density values.


PACS

61.20.Gy Theory and models of liquid structure

61.20.Ja Computer simulation of liquid structure

MSC

37J35 Completely integrable systems, topological structure of phase space, integration methods

82D15 Liquids

37M25 Computational methods for ergodic theory (approximation of invariant measures, computation of Lyapunov exponents, entropy)

60B15 Probability measures on groups, Fourier transforms, factorization

37K55 Perturbations, KAM for infinite-dimensional systems

37H15 Multiplicative ergodic theory, Lyapunov exponents (See also 34D08, 37Axx, 37Cxx, 37Dxx)

Subjects

Soft matter, liquids and polymers

Dates

Issue 37 (19 September 2008)

Received 7 January 2008, in final form 15 July 2008

Published 7 August 2008



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