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- W4233850014 abstract "The stress-stress correlation function and the viscosity of a united-atom model of liquid decane are studied by equilibrium molecular dynamics simulation using two different formalisms for the stress tensor: the atomic and the molecular formalisms. The atomic and molecular correlation functions show dramatic difference in short-time behaviour. The integrals of the two correlation functions, however, become identical after a short transient period which is significantly shorter than the rotational relaxation time of the molecule. Both reach the same plateau value in a time period corresponding to this relaxation time. These results provide a convenient guide for the choice of the upper integral time limit in calculating the viscosity by the Green-Kubo formula." @default.
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- W4233850014 date "1996-08-20" @default.
- W4233850014 modified "2023-10-14" @default.
- W4233850014 title "The calculation of the viscosity from the autocorrelation function using molecular and atomic stress tensors" @default.
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- W4233850014 doi "https://doi.org/10.1080/00268979609484542" @default.
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