Germano, G;
Schmid, F;
(2005)
Nematic-isotropic interfaces under shear: a molecular-dynamics simulation.
Journal of Chemical Physics
, 123
(21)
, Article 214703. 10.1063/1.2131065.
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Abstract
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 moving periodic 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 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.
| Type: | Article |
|---|---|
| Title: | Nematic-isotropic interfaces under shear: a molecular-dynamics simulation |
| Location: | United States |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1063/1.2131065 |
| Publisher version: | http://dx.doi.org/10.1063/1.2131065 |
| Language: | English |
| Additional information: | Reprinted with permission from Germano, G; Schmid, F; (2005) Nematic-isotropic interfaces under shear: a molecular-dynamics simulation. Journal of Chemical Physics, 123 (21), Article 214703. 10.1063/1.2131065. Copyright 2005, American Institute of Physics. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Computer Science |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1407436 |
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