Assessment of phenomenological models for viscosity of liquids based on nonequilibrium atomistic simulations of copper
Peng Xu, Tahir Çağın, William A. Goddard III
Abstract
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: eta(gamma)=(eta(0)-eta(infinity))sinh(-1)(tau gamma)/(tau gamma)+eta(infinity), where gamma is the shear rate. Here eta(0) (the zero-shear-rate viscosity) extracted from the PE fit is in excellent agreement with available experimental data. The relaxation time tau 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.
Group Members
Xu, P., Çağın, T., & III, W. A. G. (2005). Assessment of phenomenological models for viscosity of liquids based on nonequilibrium atomistic simulations of copper. *J. Chem. Phys.*, *123*(10), Art. No. 104506. https://doi.org/10.1063/1.1881052