Chaotic properties of isokinetic-isobaric atomic systems under planar shear and elongational flows

Frascoli, Federico, Searles, Debra J. and Todd, B. D. (2008) Chaotic properties of isokinetic-isobaric atomic systems under planar shear and elongational flows. Physical Review E, 77 5: . doi:10.1103/PhysRevE.77.056217

Attached Files (Some files may be inaccessible until you login with your UQ eSpace credentials)
Name Description MIMEType Size Downloads
UQ282849.pdf Full text (open access) application/pdf 192.97KB 21

Author Frascoli, Federico
Searles, Debra J.
Todd, B. D.
Title Chaotic properties of isokinetic-isobaric atomic systems under planar shear and elongational flows
Journal name Physical Review E   Check publisher's open access policy
ISSN 1539-3755
1550-2376
Publication date 2008-05-30
Sub-type Article (original research)
DOI 10.1103/PhysRevE.77.056217
Open Access Status File (Publisher version)
Volume 77
Issue 5
Total pages 10
Place of publication College Park, MD, United States
Publisher American Physical Society
Language eng
Abstract An investigation of the chaotic properties of nonequilibrium atomic systems under planar shear and planar elongational flows is carried out for a constant pressure and temperature ensemble, with the combined use of a Gaussian thermostat and a Nosé-Hoover integral feedback mechanism for pressure conservation. A comparison with Lyapunov spectra of atomic systems under the same flows and at constant volume and temperature shows that, regardless of whether the underlying algorithm describing the flow is symplectic, the degrees of freedom associated with the barostat have no overall influence on chaoticity and the general conjugate pairing properties are independent of the ensemble. Finally, the dimension of the strange attractor onto which the phase space collapses is found not to be significantly altered by the presence of the Nosé-Hoover barostatting mechanism.
Keyword Nonequilibrium molecular dynamics
Periodic boundary conditions
Conjugate pairing rule
Transport coefficients
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ
Additional Notes Article #056217

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemistry and Molecular Biosciences
Australian Institute for Bioengineering and Nanotechnology Publications
 
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 3 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 3 times in Scopus Article | Citations
Google Scholar Search Google Scholar
Created: Fri, 05 Oct 2012, 13:05:38 EST by System User on behalf of School of Chemistry & Molecular Biosciences