Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2005-10-06
J. Chem. Phys. 116, 214703 (2005)
Physics
Condensed Matter
Soft Condensed Matter
to appear in J. Chem. Phys
Scientific paper
10.1063/1.2131065
We present a large-scale molecular dynamics study of nematic-paranematic interfaces under shear. We use a model of soft repulsive ellipsoidal particles with well-known equilibrium properties, and consider interfaces which are oriented normal to the direction of the shear gradient (common stress case). The director at the interface is oriented parallel to the interface (planar). A fixed average shear rate is imposed with Lees-Edwards boundary conditions, and the heat is dissipated with a profile-unbiased thermostat. First we study the properties of the interface at one particular shear rate in detail. The local interfacial profiles and the capillary wave fluctuations of the interfaces are calculated and compared with those of the corresponding equilibrium interface. Under shear, the interfacial width broadens and the capillary wave amplitudes at large wavelengths increase. The strain is distributed inhomogeneously in the system (shear banding), the local shear rate in the nematic region being distinctly higher than in the paranematic region. Surprisingly, we also observe (symmetry breaking) flow in the {\em vorticity} direction, with opposite direction in the nematic and the paranematic state. Finally, we investigate the stability of the interface for other shear rates and construct a nonequilibrium phase diagram.
Germano Guido
Schmid Friederike
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