Monte Carlo Simulation of Smectic Liquid Crystals and the Electroclinic Effect: the Role of the Molecular Shape

Using Monte Carlo simulation methods, we explore the role of molecular shape in the phase behavior of liquid crystals and the electroclinic effect. We study a "bent-rod" mesogen shaped like the letter Z, composed of seven soft spheres bonded rigidly together with no intra-molecular degrees of freedom. For strongly angled molecules, we find that steric repulsion alone provides the driving force for a smectic-C phase, even without intermolecular dipole-dipole interactions. For weakly angled (nearly rod-like) molecules, we find a stable smectic-A (SmA) phase and a strong electroclinic effect with a saturation tilt angle of about 19 degrees. In the SmA phase we find evidence of vortex-like point defects. We also observe a field-induced nematic-smectic phase transition.Comment: 10 pages, including 10 postscript figures, uses REVTeX 3.0 and epsf.st

Order and Frustration in Chiral Liquid Crystals

This paper reviews the complex ordered structures induced by chirality in liquid crystals. In general, chirality favors a twist in the orientation of liquid-crystal molecules. In some cases, as in the cholesteric phase, this favored twist can be achieved without any defects. More often, the favored twist competes with applied electric or magnetic fields or with geometric constraints, leading to frustration. In response to this frustration, the system develops ordered structures with periodic arrays of defects. The simplest example of such a structure is the lattice of domains and domain walls in a cholesteric phase under a magnetic field. More complex examples include defect structures formed in two-dimensional films of chiral liquid crystals. The same considerations of chirality and defects apply to three-dimensional structures, such as the twist-grain-boundary and moire phases.Comment: 39 pages, RevTeX, 14 included eps figure

An extremal model for amorphous media plasticity

An extremal model for the plasticity of amorphous materials is studied in a simple two-dimensional anti-plane geometry. The steady-state is analyzed through numerical simulations. Long-range spatial and temporal correlations in local slip events are shown to develop, leading to non-trivial and highly anisotropic scaling laws. In particular, the plastic strain is shown to statistically concentrate over a region which tends to align perpendicular to the displacement gradient. By construction, the model can be seen as giving rise to a depinning transition, the threshold of which (i.e. the macroscopic yield stress) also reveal scaling properties reflecting the localization of the activity.Comment: 4 pages, 5 figure

Cooperative Chiral Order in Copolymers of Chiral and Achiral Units

Polyisocyanates can be synthesized with chiral and achiral pendant groups distributed randomly along the chains. The overall chiral order, measured by optical activity, is strongly cooperative and depends sensitively on the concentration of chiral pendant groups. To explain this cooperative chiral order theoretically, we map the random copolymer onto the one-dimensional random-field Ising model. We show that the optical activity as a function of composition is well-described by the predictions of this theory.Comment: 13 pages, including 3 postscript figures, uses REVTeX 3.0 and epsf.st

Theory of Chiral Order in Random Copolymers

Recent experiments have found that polyisocyanates composed of a mixture of opposite enantiomers follow a chiral ``majority rule:'' the chiral order of the copolymer, measured by optical activity, is dominated by whichever enantiomer is in the majority. We explain this majority rule theoretically by mapping the random copolymer onto the random-field Ising model. Using this model, we predict the chiral order as a function of enantiomer concentration, in quantitative agreement with the experiments, and show how the sharpness of the majority-rule curve can be controlled.Comment: 13 pages, including 4 postscript figures, uses REVTeX 3.0 and epsf.st

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

Picturing classical and quantum Bayesian inference

We introduce a graphical framework for Bayesian inference that is sufficiently general to accommodate not just the standard case but also recent proposals for a theory of quantum Bayesian inference wherein one considers density operators rather than probability distributions as representative of degrees of belief. The diagrammatic framework is stated in the graphical language of symmetric monoidal categories and of compact structures and Frobenius structures therein, in which Bayesian inversion boils down to transposition with respect to an appropriate compact structure. We characterize classical Bayesian inference in terms of a graphical property and demonstrate that our approach eliminates some purely conventional elements that appear in common representations thereof, such as whether degrees of belief are represented by probabilities or entropic quantities. We also introduce a quantum-like calculus wherein the Frobenius structure is noncommutative and show that it can accommodate Leifer's calculus of `conditional density operators'. The notion of conditional independence is also generalized to our graphical setting and we make some preliminary connections to the theory of Bayesian networks. Finally, we demonstrate how to construct a graphical Bayesian calculus within any dagger compact category.Comment: 38 pages, lots of picture

The GHZ/W-calculus contains rational arithmetic

Graphical calculi for representing interacting quantum systems serve a number of purposes: compositionally, intuitive graphical reasoning, and a logical underpinning for automation. The power of these calculi stems from the fact that they embody generalized symmetries of the structure of quantum operations, which, for example, stretch well beyond the Choi-Jamiolkowski isomorphism. One such calculus takes the GHZ and W states as its basic generators. Here we show that this language allows one to encode standard rational calculus, with the GHZ state as multiplication, the W state as addition, the Pauli X gate as multiplicative inversion, and the Pauli Z gate as additive inversion.Comment: In Proceedings HPC 2010, arXiv:1103.226