S. Butler et P. Harrowell, SHEAR-INDUCED ORDERING IN SIMULATIONS OF COLLOIDAL SUSPENSIONS - OSCILLATORY SHEAR AND COMPUTATIONAL ARTIFACTS, The Journal of chemical physics, 105(2), 1996, pp. 605-613
We report on the nature of the shear induced order observed in nonequi
librium Brownian dynamics simulations of particles interacting via a s
creened Coulomb potential. Under steady shear, the nature of the order
ed phase differs depending on the temperature. Below the equilibrium m
elting temperature, the shear induced order takes the form of hexagona
lly packed strings aligned along the direction of flow. Above the melt
ing temperature, the liquid organizes itself into unstructured layers
whose normal lies parallel to the shear gradient. We find a significan
t and anisotropic system size dependence of the ordering transition un
der steady shear. The critical shear rate required for ordering increa
ses with increasing length of the simulation cell along the direction
of flow. No such size dependence is found in oscillatory shears whose
amplitude is less than half the cell length. Our results suggest that
the order found in simulations under steady shear is an artefact of ps
eudo-oscillations resulting from shearing through the periodic boundar
y conditions. (C) 1996 American Institute of Physics.