Assessment of phenomenological models for viscosity of liquids based on nonequilibrium atomistic simulations of copper

The shear viscosity of liquid copper is studied using nonequilibrium molecular-dynamics simulations under planar shear flow conditions. We examined variation of viscosity as function of shear rate at a range of pressures (ca. 0 - 40 GPa). We analyzed these results using eight different phenomenological models and find that the observed non-Newtonian behavior is best described by the Powell-Eyring (PE) model: η (γ̇) = (η0 - η∞) sinh-1 (τ γ̇) (τ γ̇) + η∞, where γ̇ is the shear rate. Here η0 (the zero-shear-rate viscosity) extracted from the PE fit is in excellent agreement with available experimental data. The relaxation time τ from the PE fit describes the shear response to an applied stress. This provides the framework for interpreting the shear flow phenomena in complex systems, such as liquid metal and amorphous metal alloys.