Size effects and dislocation patterning in two-dimensional bending

We perform atomistic Monte Carlo simulations of bending a Lennard-Jones single crystal in two dimensions. Dislocations nucleate only at the free surface as there are no sources in the interior of the sample. When dislocations reach sufficient density, they spontaneously coalesce to nucleate grain boundaries, and the resulting microstructure depends strongly on the initial crystal orientation of the sample. In initial yield, we find a reverse size effect, in which larger samples show a higher scaled bending moment than smaller samples for a given strain and strain rate. This effect is associated with source-limited plasticity and high strain rate relative to dislocation mobility, and the size effect in initial yield disappears when we scale the data to account for strain rate effects. Once dislocations coalesce to form grain boundaries, the size effect reverses and we find that smaller crystals support a higher scaled bending moment than larger crystals. This finding is in qualitative agreement with experimental results. Finally, we observe an instability at the compressed crystal surface that suggests a novel mechanism for the formation of a hillock structure. The hillock is formed when a high angle grain boundary, after absorbing additional dislocations, becomes unstable and folds to form a new crystal grain that protrudes from the free surface.Comment: 15 pages, 8 figure

Theory of Chiral Modulations and Fluctuations in Smectic-A Liquid Crystals Under an Electric Field

Chiral liquid crystals often exhibit periodic modulations in the molecular director; in particular, thin films of the smectic-C* phase show a chiral striped texture. Here, we investigate whether similar chiral modulations can occur in the induced molecular tilt of the smectic-A phase under an applied electric field. Using both continuum elastic theory and lattice simulations, we find that the state of uniform induced tilt can become unstable when the system approaches the smectic-A--smectic-C* transition, or when a high electric field is applied. Beyond that instability point, the system develops chiral stripes in the tilt, which induce corresponding ripples in the smectic layers. The modulation persists up to an upper critical electric field and then disappears. Furthermore, even in the uniform state, the system shows chiral fluctuations, including both incipient chiral stripes and localized chiral vortices. We compare these predictions with observed chiral modulations and fluctuations in smectic-A liquid crystals.Comment: 11 pages, including 9 postscript figures, uses REVTeX 3.0 and epsf.st