Computer simulation of liquid crystals

A review is presented of molecular and mesoscopic computer simulations of liquid crystalline systems. Molecular simulation approaches applied to such systems are described and the key findings for bulk phase behaviour are reported. Following this, recently developed lattice Boltzmann (LB) approaches to the mesoscale modelling of nemato-dynamics are reviewed. The article concludes with a discussion of possible areas for future development in this field.</p

A lattice spring model of heterogeneous materials with plasticity

A three-dimensional lattice spring model of a heterogeneous material is presented. For small deformations, the model is shown to recover the governing equations for an isotropic elastic medium. The model gives reasonable agreement with theoretical predictions for the elastic fields generated by a spherical inclusion, although for small particle sizes the discretization of the underlying lattice causes some departures from the predicted values. Plasticity is introduced by decreasing the elastic moduli locally whilst maintaining stress continuity. Results are presented for a spherical inclusion in a plastic matrix and are found to be in good agreement with the predictions of Wilner (1988 J. Mech. Phys. Solids 36 141-65).</p

Seeding of the nematic-isotropic phase transition by an electric field

In this paper, we use a relatively simple continuum model to investigate the effects of dielectric inhomogeneity within confined liquid crystal cells. Specifically, we consider, in planar, cylindrical and spherical geometries, the stability of a nematic-isotropic interface subject to an applied voltage. Depending on the magnitude of this voltage, the temperature and the geometry of the cell, the nematic region may shrink until the material is completely isotropic within the cell, grow until the nematic phase cells the cell or, in certain geometries, coexist with the isotropic phase. For planar geometry, no coexistence is found, but we are able to give analytical expressions for the critical voltage for an electric-field-induced phase transition as well as the critical wetting layer thickness for arbitrary applied voltage. In cells with cylindrical and spherical geometries, however, stable nematic-isotropic coexistence is predicted, the thickness of the nematic region being controllable by alteration of the applied voltage.</p

Phenomenology of A Three-Family Standard-like String Model

We discuss the phenomenology of a three-family supersymmetric Standard-like Model derived from the orientifold construction, in which the ordinary chiral states are localized at the intersection of branes at angles. In addition to the Standard Model group, there are two additional U(1)' symmetries, one of which has family non-universal and therefore flavor changing couplings, and a quasi-hidden non-abelian sector which becomes strongly coupled above the electroweak scale. The perturbative spectrum contains a fourth family of exotic (SU(2)- singlet) quarks and leptons, in which, however, the left-chiral states have unphysical electric charges. It is argued that these decouple from the low energy spectrum due to hidden sector charge confinement, and that anomaly matching requires the physical left-chiral states to be composites. The model has multiple Higgs doublets and additional exotic states. The moduli-dependent predictions for the gauge couplings are discussed. The strong coupling agrees with experiment for reasonable moduli, but the electroweak couplings are too small.Comment: 22 pages, 4 figure

Stringent Phenomenological Investigation into Heterotic String Optical Unification

For the weakly coupled heterotic string (WCHS) there is a well-known factor of twenty conflict between the minimum string coupling unification scale, Lambda_H ~5x10^(17) GeV, and the projected MSSM unification scale, Lambda_U ~ 2.5x10^(16) GeV, assuming an intermediate scale desert (ISD). Renormalization effects of intermediate scale MSSM-charged exotics (ISME) (endemic to quasi-realistic string models) can resolve this issue, pushing the MSSM scale up to the string scale. However, for a generic string model, this implies that the projected Lambda_U unification under ISD is accidental. If the true unification scale is 5.0x10^(17) GeV, is it possible that illusionary unification at 2.5x10^(17) GeV in the ISD scenario is not accidental? If it is not, then under what conditions would the assumption of ISME in a WCHS model imply apparent unification at Lambda_U when ISD is falsely assumed? Geidt's "optical unification" suggests that Lambda_U is not accidental, by offering a mechanism whereby a generic MSSM scale Lambda_U < Lambda_H is guaranteed. A WCHS model was constructed that offers the possibility of optical unification, depending on the availability of anomaly-cancelling flat directions meeting certain requirements. This paper reports on the systematic investigation of the optical unification properties of the set of stringent flat directions of this model. Stringent flat directions can be guaranteed to be F-flat to all finite order (or to at least a given finite order consistent with electroweak scale supersymmetry breaking) and can be viewed as the likely roots of more general flat directions. Analysis of the phenomenology of stringent flat directions gives an indication of the remaining optical unification phenomenology that must be garnered by flat directions developed from them.Comment: standard latex, 18 pages of tex

Mesh-free simulation of complex LCD geometries

We use a novel mesh-free simulation approach to study the post aligned bistable nematic (PABN) cell. By employing the Qian-Sheng formalism for liquid crystals along with a smooth representation of the surface posts, we have been able to identify two distinct stable configurations. The three-dimensional order field configurations of these states and their elastic free energies are consistent with both experimental results and previous simulation attempts. However, alternative states suggested in previous studies do not appear to remain stable when finite post curvature is considered.</p

Prediction of the consequences of a CO2 pipeline release on building occupants

Carbon Capture and Storage (CCS) is recognised as one of a suite of solutions required to reduce carbon dioxide (CO2) emissions into the atmosphere and prevent catastrophic global climate change. In CCS schemes, CO2 is captured from large scale industrial emitters and transported to geological sites, such as depleted oil or gas fields or saline aquifers, where it is injected into the rock formation for storage. Pipelines are acknowledged as one of the safest, most efficient and cost-effective methods for transporting large volumes of fluid over long distances and therefore most of the proposed schemes for CCS involve onshore and/or offshore high pressure pipelines transporting CO2.In order to manage the risk in the unlikely event of the failure of a CO2 pipeline, it is necessary to define the separation distance between pipelines and habitable dwellings in order to ensure a consistent level of safety. For natural gas pipelines, existing and accepted QRA (Quantitative Risk Assessment) techniques can be implemented to define safety zones based on thermal hazards. However for high pressure CO2 pipelines, for which the hazard is toxic, the consequences of failure need to be considered differently, which will impact on the QRA assessment and the definition of safety distances.The requirement to develop a robust QRA methodology for high pressure CO2 pipelines has been recognised by National Grid as being critical to the implementation of CCS. Consequently, as part of the COOLTRANS (CO2 Liquid pipeline TRANSportation) research programme, failure frequency and consequence models are being developed that are appropriate for high pressure CO2 pipelines. One of the key components in the consequence modelling of a release from a CO2 pipeline is an infiltration model for CO2 into buildings to describe the impact on people inside buildings, and outside seeking shelter, during a release event.This paper describes the development of an infiltration model to predict how the concentration of CO2 within a building will change based on both wind driven and buoyancy driven ventilation of an external CO2 cloud into the building. The model considers the effects of either a constant or changing external concentration of CO2 during a release and allows the density effects of the dense cloud to be taken into account to enable the toxic effects on people within the building to be predicted. The paper then demonstrates how the ventilation model can be coupled to the results of a dispersion analysis from a pipeline release under different environmental conditions to develop the consequence data required for input into the QRA. These effects are illustrated through a case study example

Minimal Standard Heterotic String Models

Three generation heterotic-string vacua in the free fermionic formulation gave rise to models with solely the MSSM states in the observable Standard Model charged sector. The relation of these models to Z_2 x Z_2 orbifold compactifications dictates that they produce three pairs of untwisted Higgs multiplets. The reduction to one pair relies on the analysis of supersymmetric flat directions, that give superheavy mass to the dispensable Higgs states. We explore the removal of the extra Higgs representations by using the free fermion boundary conditions and hence directly at the string level, rather than in the effective low energy field theory. We present a general mechanism that achieves this reduction by using asymmetric boundary conditions between the left- and right-moving internal fermions. We incorporate this mechanism in explicit string models containing three twisted generations and a single untwisted Higgs doublet pair. We further demonstrate that an additional effect of the asymmetric boundary conditions is to substantially reduce the supersymmetric moduli space.Comment: 20 pages, LaTeX; added reference