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APS » Journals » Phys. Rev. Lett. » Volume 88 » Issue 5
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Phys. Rev. Lett. 88, 058302 (2002) [4 pages]

Comparison of Nonequilibrium Molecular Dynamics with Experimental Measurements in the Nonlinear Shear-Thinning Regime

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Scott Bair1, Clare McCabe2,3,*,†, and Peter T. Cummings4,3
1Tribology and Rheology Laboratory, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0405
2Department of Chemical Engineering, University of Tennessee, Knoxville, Tennessee 37996
3Chemical Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831
4Departments of Chemical Engineering, Chemistry and Computer Science, University of Tennessee, Knoxville, Tennessee 37996

Received 26 July 2001; published 18 January 2002

Nonequilibrium molecular dynamics of a low-molecular-weight fluid (squalane) are compared with experimental measurements in both the linear (Newtonian) and nonlinear (non-Newtonian) regimes. The experimental and simulation data are shown to follow the same time-temperature superposition master curve. This represents the first comparison of the nonlinear rheology predicted by nonequilibrium molecular dynamics with experiment, and is thus the first experimental test of nonequilibrium molecular dynamics simulations in the nonlinear regime.

© 2002 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.88.058302
DOI:
10.1103/PhysRevLett.88.058302
PACS:
83.10.Rs, 47.50.+d, 83.50.Ax, 83.85.Jn

*Permanent address from 1 January 2002: Department of Chemical Engineering, Colorado School of Mines, Golden, CO 80401.

†Corresponding author.Email address: cmccabe@mines.edu

 
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