We report on nonequilibrium molecular dynamics (NEMD) simulations results on the shear viscosity of liquid copper, modeled by a many-body embedded-atoms model potential. Because conventional NEMD methods are restricted to very high shear rates (at least of the order of , that is several orders of magnitude larger than those accessible by experiment), previous work only provided access to the response of the fluid in the shear-thinning regime. Using the transient-time correlation function formalism, we show how NEMD simulations can be extended to study the rheological properties of liquid copper subjected to low, experimentally accessible, shear rates. Our results provide a full picture of the rheology of the system, in the Newtonian regime as well as in the shear-thinning regime.
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28 February 2008
Research Article|
February 26 2008
Shear viscosity of liquid copper at experimentally accessible shear rates: Application of the transient-time correlation function formalism
Caroline Desgranges;
Caroline Desgranges
Department of Chemical Engineering,
University of South Carolina
, 301 Main Street, Columbia, South Carolina 29208, USA
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Jerome Delhommelle
Jerome Delhommelle
a)
Department of Chemical Engineering,
University of South Carolina
, 301 Main Street, Columbia, South Carolina 29208, USA
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a)
Electronic mail: [email protected].
J. Chem. Phys. 128, 084506 (2008)
Article history
Received:
August 13 2007
Accepted:
December 07 2007
Citation
Caroline Desgranges, Jerome Delhommelle; Shear viscosity of liquid copper at experimentally accessible shear rates: Application of the transient-time correlation function formalism. J. Chem. Phys. 28 February 2008; 128 (8): 084506. https://doi.org/10.1063/1.2829872
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