Comparison of nonequilibrium molecular dynamics with experimental measurements in the nonlinear shear-thinning regime

Phys Rev Lett. 2002 Feb 4;88(5):058302. doi: 10.1103/PhysRevLett.88.058302. Epub 2002 Jan 18.

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.