Comparison of nonequilibrium molecular dynamics with experimental measurements in the nonlinear shear-thinning regime |
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| Authors: | Bair Scott McCabe Clare Cummings Peter T |
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| Institution: | Tribology and Rheology Laboratory, George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0405, USA. |
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| Abstract: | 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. |
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