Evaluation of Viscosity by Using MD

Simulation of shear flow of n-decane and n-hexadecane using Lees–Edwards boundary conditions in J-OCTA is shown.

Viscosity plotted against shear rate in double logarithmic scale is shown. As shear rate decreases, viscosity increases, but for n-decane it approaches a constant below shear rates of about 1×10¹⁰ [1/s]. In literature [1], viscosity evaluated by the Green–Kubo method under the same conditions was 0.178 [E-3 Pa·s] for n-decane and 1.17 [E-3 Pa·s] for n-hexadecane, showing similar trends.