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- Title
- Planar mixed flow and chaos: Lyapunov exponents and the conjugate-pairing rule
- Author(s)
- Bernardi, Stefano; Frascoli, Federico; Searles, Debra J.; Todd, B. D.
- Abstract
- In this work we characterize the chaotic properties of atomic fluids subjected to planar mixed flow, which is a linear combination of planar shear and elongational flows, in a constant temperature thermodynamic ensemble. With the use of a recently developed nonequilibrium molecular dynamics algorithm, compatible and reproducible periodic boundary conditions are realized so that Lyapunov spectra analysis can be carried out for the first time. Previous studies on planar shear and elongational flows have shown that Lyapunov spectra organize in different ways, depending on the character of the defining equations of the system. Interestingly, planar mixed flow gives rise to chaotic spectra that, on one hand, contain elements common to those of shear and elongational flows but also show peculiar, unique traits. In particular, the influence of the constituent flows in regards to the conjugate-pairing rule (CPR) is analyzed. CPR is observed in homogeneously thermostated systems whose adiabatic (or unthermostated) equations of motion are symplectic. We show that the component associated with the shear tends to selectively excite some of those degrees, and is responsible for violations in the rule.
- Publication type
- Journal article
- Research centre
- Swinburne University of Technology. Faculty of Information and Communication Technologies. Centre for Molecular Simulation
- Research centre
- Swinburne University of Technology. Faculty of Life and Social Sciences. Brain Sciences Institute
- Research centre
- Swinburne University of Technology. Faculty of Engineering and Industrial Sciences
- Source
- Journal of Chemical Physics, Vol. 134, no. 11 (Mar 2011), article no. 114112
- Publication year
- 2011
- FOR Code(s)
- 0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics; 0306 Physical Chemistry (Incl. Structural); 0904 Chemical Engineering
- Keyword(s)
- Elongational flows; Fluid; Nonequilibrium molecular-dynamics; Shear; Simulations; Systems; Transport-coefficients
- Publisher
- American Institute of Physics
- ISSN
- 0021-9606
- Publisher URL
- http://dx.doi.org/10.1063/1.3567095
- Copyright
- Copyright © 2011 American Institute of Physics. The published version of the paper is reproduced here with the kind permission of the publisher. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
- Full text
- Peer reviewed
