Abstract
The TIP4P potential is used to predict the velocity profiles in the 3-D (about 100,000 molecules) liquid water lid-driven cavity flow. The vortices in the cavity are generated with the upper side wall moving with a constant speed and investigated by the leap-frog method in the field of molecular dynamics. Two kinds of problems are investigated in this paper to demonstrate the feature of the velocity profiles and traced the particle in the system, one is the cavity flow problem with square cavity and the other is with V-shape cavity. The realistic parameters of the water molecule are adopted in this research.
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