Coupled Wavenumbers in an Infinite Flexible Fluid-Filled Circular Cylindrical Shell: Comparison between Different Shell Theories

Analytical expressions are found for the wavenumbers in an infinite flexible in vacuo I fluid-filled circular cylindrical shell based on different shell-theories using asymptotic methods. Donnell-Mushtari theory (the simplest shell theory) and four higher order theories, namely Love-Timoshenko, Goldenveizer-Novozhilov, Flugge and Kennard-simplified are considered. Initially, in vacuo and fluid-coupled wavenumber expressions are presented using the Donnell-Mushtari theory. Subsequently, the wavenumbers using the higher order theories are presented as perturbations on the Donnell-Mushtari wavenumbers. Similarly, expressions for the resonance frequencies in a finite shell are also presented, using each shell theory. The basic differences between the theories being what they are, the analytical expressions obtained from the five theories allow one to see how these differences propagate into the asymptotic expansions. Also, they help to quantify the difference between the theories for a wide range of parameter values such as the frequency range, circumferential order, thickness ratio of the shell, etc.

Structural, vibrational and thermal studies of a new nonlinear optical material: L-Asparagine-L-tartaric acid

Crystals of a new nonlinear optical (NLO) material, viz., L-asparagine-L-tartaric acid (LALT)(1) were grown by slow evaporation of an aqueous solution containing equimolar concentrations of L-asparagine and t-tartaric acid. The structure of the title compound which crystallizes in the non-centrosymmetric monoclinic space group P2(1) consists of a molecule of L-asparagine and a molecule of free L-tartaric acid both of which are interlinked by three varieties of H-bonding interactions namely O-H center dot center dot center dot O, N-H center dot center dot center dot O and C-H center dot center dot center dot O. The UV-Vis-NIR spectrum of 1 reveals its transparent nature while the vibrational spectra confirm the presence of the functional groups in 1. The thermal stability and second harmonic generation (SHG) conversion efficiency of 1 were investigated. (C) 2012 Elsevier B.V. All rights reserved.

Enhancement of circular differential deflection of light in an optically active medium

In this letter, we investigate the circular differential deflection of a light beam refracted at the interface of an optically active medium. We show that the difference between the angles of deviation of the two circularly polarized components of the transmitted beam is enhanced manyfold near total internal reflection, which suggests a simple way of increasing the limit of detection of chiro-optical measurements. (C) 2012 Optical Society of America

Two-dimensional flow past circular cylinders using finite volume lattice Boltzmann formulation

In this article, an extension to the total variation diminishing finite volume formulation of the lattice Boltzmann equation method on unstructured meshes was presented. The quadratic least squares procedure is used for the estimation of first-order and second-order spatial gradients of the particle distribution functions. The distribution functions were extrapolated quadratically to the virtual upwind node. The time integration was performed using the fourth-order RungeKutta procedure. A grid convergence study was performed in order to demonstrate the order of accuracy of the present scheme. The formulation was validated for the benchmark two-dimensional, laminar, and unsteady flow past a single circular cylinder. These computations were then investigated for the low Mach number simulations. Further validation was performed for flow past two circular cylinders arranged in tandem and side-by-side. Results of these simulations were extensively compared with the previous numerical data. Copyright (C) 2011 John Wiley & Sons, Ltd.

Study of molecular structure and vibrational spectra of poly (beta,-1-malic acid) PMLA] using DFT approach

Poly (beta-L-malic acid) (PMLA) is a biodegradable polymer and it has various important applications in the biomedical field. In the present work the structural and spectral characteristics of PMLA have been studied by methods of infrared. Raman spectroscopy and quantum chemistry. Electrostatic potential surface, optimized geometry, harmonic vibrational frequencies, infrared intensities and activities of Raman scattering were calculated by density functional theory (DFT) using oligomeric approach employing B3LYP with complete relaxation in the potential energy surface using 6-311++G (d, p) basis set. Based on results, we have discussed the correlation between the vibrational modes and the structure of the PMLA. A complete analysis of the experimental infrared and Raman spectra has been reported on the basis of wavenumber of the vibrational bands and potential energy distribution. The calculated HOMO and LUMO energies shows that charge transfer occur within the molecule. The calculated infrared and the Raman spectra of the polymer based on DFT calculations show reasonable agreement with the experimental results. (c) 2012 Elsevier Ltd. All rights reserved.

DFT study of structure and vibrational spectra of ceramide 3: comparison to experimental data

The Fourier transform Raman and infrared (IR) spectra of the Ceramide 3 (CER3) have been recorded in the regions 200-3500 cm(-1) and 680-4000 cm(-1), respectively. We have calculated the equilibrium geometry, harmonic vibrational wavenumbers, electrostatic potential surfaces, absolute Raman scattering activities and IR absorption intensities by the density functional theory with B3LYP functionals having extended basis set 6-311G. This work is undertaken to study the vibrational spectra of CER3 completely and to identify the various normal modes with better wavenumber accuracy. Good consistency is found between the calculated results and experimental data for the IR and Raman spectra.

Seismic stability of a long unsupported circular tunnel

The stability of a long unsupported circular tunnel (opening) in a cohesive frictional soil has been assessed with the inclusion of pseudo-static horizontal earthquake body forces. The analysis has been performed under plane strain conditions by using upper bound finite element limit analysis in combination with a linear optimization procedure. The results have been presented in the form of a non-dimensional stability number (gamma H-max/c); where H = tunnel cover, c refers to soil cohesion and gamma(max) is the maximum unit weight of soil mass which the tunnel can support without collapse. The results have been obtained for various values of H/D (D = diameter of the tunnel), internal friction angle (phi) of soil, and the horizontal earthquake acceleration coefficient (alpha(h)). The computations reveal that the values of the stability numbers (i) decrease quite significantly with an increase in alpha(h), and (ii) become continuously higher for greater values of H/D and phi. As expected, the failure zones around the periphery of the tunnel becomes always asymmetrical with an inclusion of horizontal seismic body forces. (c) 2012 Elsevier Ltd. All rights reserved.

Intermolecular charge transfer and vibrational analysis of hydrogen bonding in acetazolamide

In the present work the structural and spectral characteristics of acetazolamide have been studied by methods of infrared, Raman spectroscopy and quantum chemistry. Electrostatic potential surface, optimized geometry, harmonic vibrational frequencies, infrared intensities and activities of Raman scattering were calculated by density functional theory (DFT) employing B3LYP with complete relaxation in the potential energy surface using 6-311++G(d,p) basis set. Based on these results, we have discussed the correlation between the vibrational modes and the structure of the dimers of acetazolamide. The calculated vibrational spectra of three dimers of acetazolamide have been compared with observed spectra, and the assignment of observed bands was carried out using potential energy distribution. The observed spectra agree well with the values computed from the OFT. A comparison of observed and calculated vibrational spectra clearly shows the effect of hydrogen bonding. The frequency shifts observed for the different dimers are in accord with the hydrogen bonding in acetazolamide. Natural bond orbital (NBO) analyses reflect the charge transfer interaction in the individual hydrogen bond units and the stability of different dimers of acetazolamide. (C) 2012 Elsevier B.V. All rights reserved.

Minimum power consumption for drag reduction on a circular cylinder by tangential surface motion

We investigate the effect of a prescribed tangential velocity on the drag force on a circular cylinder in a spanwise uniform cross flow. Using a combination of theoretical and numerical techniques we make an attempt at determining the optimal tangential velocity profiles which will reduce the drag force acting on the cylindrical body while minimizing the net power consumption characterized through a non-dimensional power loss coefficient (C-PL). A striking conclusion of our analysis is that the tangential velocity associated with the potential flow, which completely suppresses the drag force, is not optimal for both small and large, but finite Reynolds number. When inertial effects are negligible (R e << 1), theoretical analysis based on two-dimensional Oseen equations gives us the optimal tangential velocity profile which leads to energetically efficient drag reduction. Furthermore, in the limit of zero Reynolds number (Re -> 0), minimum power loss is achieved for a tangential velocity profile corresponding to a shear-free perfect slip boundary. At finite Re, results from numerical simulations indicate that perfect slip is not optimum and a further reduction in drag can be achieved for reduced power consumption. A gradual increase in the strength of a tangential velocity which involves only the first reflectionally symmetric mode leads to a monotonic reduction in drag and eventual thrust production. Simulations reveal the existence of an optimal strength for which the power consumption attains a minima. At a Reynolds number of 100, minimum value of the power loss coefficient (C-PL = 0.37) is obtained when the maximum in tangential surface velocity is about one and a half times the free stream uniform velocity corresponding to a percentage drag reduction of approximately 77 %; C-PL = 0.42 and 0.50 for perfect slip and potential flow cases, respectively. Our results suggest that potential flow tangential velocity enables energetically efficient propulsion at all Reynolds numbers but optimal drag reduction only for Re -> infinity. The two-dimensional strategy of reducing drag while minimizing net power consumption is shown to be effective in three dimensions via numerical simulation of flow past an infinite circular cylinder at a Reynolds number of 300. Finally a strategy of reducing drag, suitable for practical implementation and amenable to experimental testing, through piecewise constant tangential velocities distributed along the cylinder periphery is proposed and analysed.

A constant factor approximation algorithm for boxicity of circular arc graphs

Boxicity of a graph G(V, E) is the minimum integer k such that G can be represented as the intersection graph of k-dimensional axis parallel boxes in Rk. Equivalently, it is the minimum number of interval graphs on the vertex set V such that the intersection of their edge sets is E. It is known that boxicity cannot be approximated even for graph classes like bipartite, co-bipartite and split graphs below O(n0.5-ε)-factor, for any ε > 0 in polynomial time unless NP = ZPP. Till date, there is no well known graph class of unbounded boxicity for which even an nε-factor approximation algorithm for computing boxicity is known, for any ε < 1. In this paper, we study the boxicity problem on Circular Arc graphs - intersection graphs of arcs of a circle. We give a (2+ 1/k)-factor polynomial time approximation algorithm for computing the boxicity of any circular arc graph along with a corresponding box representation, where k ≥ 1 is its boxicity. For Normal Circular Arc(NCA) graphs, with an NCA model given, this can be improved to an additive 2-factor approximation algorithm. The time complexity of the algorithms to approximately compute the boxicity is O(mn+n2) in both these cases and in O(mn+kn2) which is at most O(n3) time we also get their corresponding box representations, where n is the number of vertices of the graph and m is its number of edges. The additive 2-factor algorithm directly works for any Proper Circular Arc graph, since computing an NCA model for it can be done in polynomial time.

Vibrational spectroscopy and density functional theory analysis of 3-O-caffeoylquinic acid

Density functional theory (DFT) calculations are being performed to investigate the geometric, vibrational, and electronic properties of the chlorogenic acid isomer 3-CQA (1R,3R,4S,5R)-3-{(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4, 5-trihydroxycyclohexanecarboxylic acid), a major phenolic compound in coffee. DFT calculations with the 6-311G(d,p) basis set produce very good results. The electrostatic potential mapped onto an isodensity surface has been obtained. A natural bond orbital analysis (NBO) has been performed in order to study intramolecular bonding, interactions among bonds, and delocalization of unpaired electrons. HOMO-LUMO studies give insights into the interaction of the molecule with other species. The calculated HOMO and LUMO energies indicate that a charge transfer occurs within the molecule. (C) 2012 Elsevier B.V. All rights reserved.

Asymptotic wavenumber expansions of a strongly orthotropic fluid-filled circular cylindrical shell

In this paper, a suitable nondimensional `orthotropy parameter' is defined and asymptotic expansions are found for the wavenumbers in in vacuo and fluid-filled orthotropic circular cylindrical shells modeled by the Donnell-Mushtari theory. Here, the elastic moduli in the two directions are greatly different; the particular case of E-x >> E-theta is studied in detail, i.e., the elastic modulus in the longitudinal direction is much larger than the elastic modulus in the circumferential direction. These results are compared with the corresponding results for a `slightly orthotropic' shell (E-x approximate to E-theta) and an isotropic shell. The novelty of this presentation lies in obtaining closed-form expansions for the in vacuo and coupled wavenumbers in an orthotropic shell using perturbation methods aiding in a better physical understanding of the problem.

Asymptotic expansions for the structural wavenumbers of isotropic and orthotropic fluid-filled circular cylindrical shells in the intermediate frequency range

We consider wavenumbers in in vacuo and fluid-filled isotropic and orthotropic shells. Using the Donnell-Mushtari (DM) theory we find compact and elegant asymptotic expansions for the wavenumbers in the intermediate frequency range, i.e., around the ring frequency. This frequency range corresponds to the frequencies where there is a rapid change in the values of bending wavenumbers and is found to exist in isotropic and orthotropic shells (in vacua and fluid-filled) for low circumferential orders n only. The same is first identified using the n=0 mode of an orthotropic shell. Following this, using the expression for the intermediate frequency, asymptotic expansions are found for other cases. Here, in order to get compact expansions we consider slight orthotropy (epsilon << 1) and light fluid loading (mu << 1). Thus, the orthotropy parameter epsilon and the fluid loading parameter mu are used as asymptotic parameters along with the non-dimensional thickness parameter beta. The methodology can be extended to any order of epsilon, only the expansions become unwieldy. The expansions are matched with the numerical solutions of the corresponding dispersion relation. The match is found to be good.

Stability of a long unsupported circular tunnel in soils with seismic forces

By using the lower-bound finite element limit analysis, the stability of a long unsupported circular tunnel has been examined with an inclusion of seismic body forces. The numerical results have been presented in terms of a non-dimensional stability number (gamma H/c) which is plotted as a function of horizontal seismic earth pressure coefficient (k (h)) for different combinations of H/D and I center dot; where (1) H is the depth of the crest of the tunnel from ground surface, (2) D is the diameter of the tunnel, (3) k (h) is the earthquake acceleration coefficient and (4) gamma, c and I center dot define unit weight, cohesion and internal friction angle of soil mass, respectively. The stability numbers have been found to decrease continuously with an increase in k (h). With an inclusion of k (h), the plastic zone around the periphery of the tunnel becomes asymmetric. As compared to the results reported in the literature, the present analysis provides a little lower estimate of the stability numbers. The numerical results obtained would be useful for examining the stability of unsupported tunnel under seismic forces.

Dynamics of a flexible splitter plate in the wake of a circular cylinder

Rigid splitter plates in the wake of bluff bodies are known to suppress the primary vortex shedding. In the present work, we experimentally study the problem of a flexible splitter plate in the wake of a circular cylinder. In this case, the splitter plate is free to continuously deform along its length due to the fluid forces acting on it; the flexural rigidity (EI) of the plate being an important parameter. Direct visualizations of the splitter plate motions, for very low values of flexural rigidity (EI), indicate periodic traveling wave type deformations of the splitter plate with maximum tip amplitudes of the order of I cylinder diameter. As the Reynolds number based on cylinder diameter is varied, two regimes of periodic splitter plate motions are found that are referred to as mode I and mode II, with a regime of aperiodic motions between them. The frequency of plate motions in both periodic modes is found to be close to the plane cylinder Strouhal number of about 0.2, while the average frequencies in the non-periodic regime are substantially lower. The measured normalized phase speed of the traveling wave for both periodic modes is also close to the convection speed of vortices in the plane cylinder wake. As the flexural rigidity of the plate (EI) is increased, the response of the plate was found to shift to the right when plotted with flow speed or Re. To better capture the effect of varying EI, we define and use a non-dimensional bending stiffness, K*, similar to the ones used in the flag flutter problem, K*=EI/(0.5 rho(UL3)-L-2), where U is the free-stream velocity and L is the splitter plate length. Amplitude data for different EI cases when plotted against this parameter appear to collapse on to a single curve for a given splitter plate length. Measurements of the splitter plate motions for varying splitter plate lengths indicate that plates that are substantially larger than the formation length of the plane cylinder wake have similar responses, while shorter plates show significant differences.