Shear viscosity of liquid copper at experimentally accessible shear rates: Application of the transient-time correlation function formalism
Abstract
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 1010 s-1, 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.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- February 2008
- DOI:
- 10.1063/1.2829872
- Bibcode:
- 2008JChPh.128h4506D
- Keywords:
-
- 61.25.Mv;
- 66.20.Cy;
- 66.20.Ej;
- 61.20.Ja;
- 47.57.Qk;
- Liquid metals and alloys;
- Theory and modeling of viscosity and rheological properties including computer simulation;
- Studies of viscosity and rheological properties of specific liquids;
- Computer simulation of liquid structure;
- Rheological aspects