Comment on "Computation of the viscosity of a liquid from time averages of stress fluctuations".
In a recent paper, Hess and Evans [Phys. Rev. E 64, 011207 (2001)] propose a method different from the conventional Green-Kubo and Einstein methods to calculate viscosity in equilibrium molecular dynamics simulations. For a comparison, we calculate the shear viscosity of SPC/E water at 303 K using these three different methods. We find that the Hess-Evans method is not as good as the other two in practical application, especially for the fluids with high viscosity and complicated relaxation.
Guo
Guang-Jun
GJ
Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing, 100029, People's Republic of China. guogj@mail.igcas.ac.cn
Zhang
Yi-Gang
YG
Zhao
Ya-Juan
YJ