Non-Newtonian behavior in simple fluids
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Delhommelle, Jerome; Petravic, J.; Evans, Denis J.
Description
Using nonequilibrium molecular dynamics simulations, we study the non-Newtonian rheology of a microscopic sample of simple fluid. The calculations were performed using a configurational thermostat which unlike previous nonequilibrium molecular dynamics or nonequilibrium Brownian dynamics methods does not exert any additional constraint on the flow profile. Our findings are in agreement with experimental results on concentrated "hard sphere"-like colloidal suspensions. We observe: (i) a shear...[Show more]
dc.contributor.author | Delhommelle, Jerome | |
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dc.contributor.author | Petravic, J. | |
dc.contributor.author | Evans, Denis J. | |
dc.date.accessioned | 2015-10-08T00:29:52Z | |
dc.date.available | 2015-10-08T00:29:52Z | |
dc.identifier.issn | 0021-9606 | |
dc.identifier.uri | http://hdl.handle.net/1885/15802 | |
dc.description.abstract | Using nonequilibrium molecular dynamics simulations, we study the non-Newtonian rheology of a microscopic sample of simple fluid. The calculations were performed using a configurational thermostat which unlike previous nonequilibrium molecular dynamics or nonequilibrium Brownian dynamics methods does not exert any additional constraint on the flow profile. Our findings are in agreement with experimental results on concentrated "hard sphere"-like colloidal suspensions. We observe: (i) a shear thickening regime under steady shear; (ii) a strain thickening regime under oscillatory shear at low frequencies; and (iii) shear-induced ordering under oscillatory shear at higher frequencies. These results significantly differ from previous simulation results which showed systematically a strong ordering for all frequencies. They also indicate that shear thickening can occur even in the absence of a solvent. | |
dc.description.sponsorship | J.D. acknowledges support from the Research School of Chemistry ~ANU! through a visiting fellowship. | |
dc.publisher | American Institute of Physics | |
dc.rights | http://www.sherpa.ac.uk/romeo/issn/0021-9606..."Publishers version/PDF may be used on author's personal website, institutional website or institutional repository" from SHERPA/RoMEO site (as at 8/10/15). Copyright 2004 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at https://doi.org/10.1063/1.1652014 | |
dc.source | The Journal of Chemical Physics | |
dc.subject | Keywords: Brownian movement; Computer simulation; Damping; Elastic moduli; Frequencies; Lubrication; Molecular dynamics; Rheology; Shear flow; Solvents; Strain; Suspensions (fluids); Thermostats; Viscosity; Brownian dynamics (BD); Nonequilibrium molecular dynamics | |
dc.title | Non-Newtonian behavior in simple fluids | |
dc.type | Journal article | |
local.description.notes | Imported from ARIES | |
local.description.refereed | Yes | |
local.identifier.citationvolume | 120 | |
dc.date.issued | 2004-04-01 | |
local.identifier.absfor | 030704 | |
local.identifier.ariespublication | MigratedxPub15247 | |
local.publisher.url | https://www.aip.org/ | |
local.type.status | Published Version | |
local.contributor.affiliation | Delhommelle, Jerome, Vanderbilt University, United States of America | |
local.contributor.affiliation | Petravic, Janka, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | |
local.contributor.affiliation | Evans, Denis, College of Physical and Mathematical Sciences, CPMS Research School of Chemistry, RSC General, The Australian National University | |
local.bibliographicCitation.issue | 13 | |
local.bibliographicCitation.startpage | 6117 | |
local.bibliographicCitation.lastpage | 6123 | |
local.identifier.doi | 10.1063/1.1652014 | |
dc.date.updated | 2015-12-12T08:10:58Z | |
local.identifier.scopusID | 2-s2.0-1942521778 | |
Collections | ANU Research Publications |
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