62 research outputs found

    Computer simulation of bistable switching in a nematic device containing pear-shaped particles

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    We study the microscopic basis of bistable switching of a confined liquid crystal via Monte Carlo simulations of hard pear-shaped particles. Using both dielectric and dipolar field couplings to this intrinsically flexoelectric fluid, it is shown that pulsed fields of opposing polarity can be used to switch between the vertical and hybrid aligned states. Further, it is shown that the field-susceptibility of the surface polarisation, rather than the bulk flexoelectricity, is the main driver of this switching behaviour.</p

    Using particle shape to induce tilted and bistable liquid crystal anchoring

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    We use Monte Carlo simulations of hard Gaussian overlap (HGO) particles symmetrically confined in slab geometry to investigate the role of particle-substrate interactions on liquid crystalline anchoring. Despite the restriction here to purely steric interactions and smooth substrates, a range of behaviours are captured, including tilted anchoring and homeotropic-planar bistability. These macroscopic behaviours are all achieved through appropriate tuning of the microscopics of the HGO-substrate interaction, based upon non-additive descriptions for the HGO-substrate shape parameter.</p

    Computer simulation of confined and flexoelectric liquid crystalline systems.

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    In this Thesis, systems of confined and flexoelectric liquid crystal systems have been studied using molecular computer simulations. The aim of this work was to provide a molecular model of a bistable display cell in which switching is induced through the application of directional electric field pulses. In the first part of this Thesis, the study of confined systems of liquid crystalline particles has been addressed. Computation of the anchoring phase diagrams for three different surface interaction models showed that the hard needle wall and rod-surface potentials induce both planar and homeotropic alignment separated by a bistability region, this being stronger and wider for the rod-surface varant. The results obtained using the rod-sphere surface model, in contrast, showed that tilted surface arrangements can be induced by surface absorption mechanisms. Equivalent studies of hybrid anchored systems showed that a bend director structure can be obtained in a slab with monostable homeotropic anchoring at the top surface and bistable anchoring at the bottom, provided that the slab height is sufficiently large and the top homeotropic anchoring is not too strong. In the second part of the Thesis, the development of models for tapered (pear-shaped) mesogens has been addressed. The first model considered, the truncated Stone expansion model, proved to be unsuccessful in that it did not display liquid crystalline phases. This drawback was then overcome using the alternative parametric hard Gaussian overlap model which was found to display a much richer phase behaviour. With a molecular elongation k = 5, both nematic and interdig-itated smectic A2 phases were obtained. In the final part of this Thesis, the knowledge acquired from the two previous studies was united in an attempt to model a bistable display cell. Switching between the hybrid aligned nematic and vertical states of the cell was successfully performed using pear shaped particles with both dielectric and dipolar couplings to an applied field. Also, a parameter window was identified, for values of the electric field, dielectric susceptibility and dipole moment, for which directional switching is achievable between the bistable states

    Entropy-driven formation of the gyroid cubic phase

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    We show, by computer simulation, that tapered or pear-shaped particles, interacting through purely repulsive interactions, can freely self-assemble to form the three-dimensionally periodic, gyroid cubic phase. The Ia3d gyroid cubic phase is formed by these particles both on compression of an isotropic configuration and on expansion of a smectic A bilayer arrangement. For the latter case, it is possible identify the steps by which the topological transformation from non-intersecting planes to fully interpenetrating, periodic networks takes place</p

    Computer simulations of hard pear-shaped particles

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    We report results obtained from Monte Carlo simulations investi- gating mesophase formation in two model systems of hard pear-shaped particles. The first model considered is a hard variant of the trun- cated Stone-Expansion model previously shown to form nematic and smectic mesophases when embedded within a 12-6 Gay-Berne-like po- tential [1]. When stripped of its attractive interactions, however, this system is found to lose its liquid crystalline phases. For particles of length to breadth ratio k = 3, glassy behaviour is seen at high pressures, whereas for k = 5 several bi-layer-like domains are seen, with high intradomain order but little interdomain orientational correlation. For the second model, which uses a parametric shape parameter based on the generalised Gay-Berne formalism, results are presented for particles with elongation k = 3; 4 and 5. Here, the systems with k = 3 and 4 fail to display orientationally ordered phases, but that with k = 5 shows isotropic, nematic and, unusually for a hard-particle model, interdigitated smectic A2 phases.</p

    Long-range correlation and multifractality in Bach's Inventions pitches

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    We show that it can be considered some of Bach pitches series as a stochastic process with scaling behavior. Using multifractal deterend fluctuation analysis (MF-DFA) method, frequency series of Bach pitches have been analyzed. In this view we find same second moment exponents (after double profiling) in ranges (1.7-1.8) in his works. Comparing MF-DFA results of original series to those for shuffled and surrogate series we can distinguish multifractality due to long-range correlations and a broad probability density function. Finally we determine the scaling exponents and singularity spectrum. We conclude fat tail has more effect in its multifractality nature than long-range correlations.Comment: 18 page, 6 figures, to appear in JSTA

    Nematic liquid crystal alignment on chemical patterns

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    Patterned Self-Assembled Monolayers (SAMs) promoting both homeotropic and planar degenerate alignment of 6CB and 9CB in their nematic phase, were created using microcontact printing of functionalised organothiols on gold films. The effects of a range of different pattern geometries and sizes were investigated, including stripes, circles and checkerboards. EvanescentWave Ellipsometry was used to study the orientation of the liquid crystal (LC) on these patterned surfaces during the isotropic-nematic phase transition. Pretransitional growth of a homeotropic layer was observed on 1 ¹m homeotropic aligning stripes, followed by a homeotropic mono-domain state prior to the bulk phase transition. Accompanying Monte-Carlo simulations of LCs aligned on nano-patterned surfaces were also performed. These simulations also showed the presence of the homeotropic mono-domain state prior to the transition.</p

    Methodological issues in epidemiological studies of periodontitis - how can it be improved?

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    Background: This position paper was commissioned by the European Association of Dental Public Health, which has established six working groups to investigate the current status of six topics related to oral public health. One of these areas is epidemiology of periodontal diseases. Methods: Two theses "A systematic review of definitions of periodontitis and the methods that have been used to identify periodontitis" [1] and "Factors affecting community oral health care needs and provision" [2] formed the starting point for this position paper. Additional relevant and more recent publications were retrieved through a MEDLINE search. Results: The literature reveals a distinct lack of consensus and uniformity in the definition of periodontitis within epidemiological studies. There are also numerous differences in the methods used. The consequence is that data from studies using differing case definitions and differing survey methods are not easily interpretable or comparable. The limitations of the widely used Community Periodontal Index of Treatment Need (CPITN) and its more recent derivatives are widely recognized. Against this background, this position paper reviews the current evidence base, outlines existing problems and suggests how epidemiology of periodontal diseases may be improved. Conclusions: The remit of this working group was to review and discuss the existing evidence base of epidemiology of periodontal diseases and to identify future areas of work to further enhance it