Discrete facility location with nonlinear diseconomies in fixed costs

A discrete facility location problem is formulated where the total fixed cost for establishing the facilities includes a component that is a nonlinear function of the number of facilities being established. Some theoretical properties of the solution are derived when this fixed cost is a convex nondecreasing function of the number of facilities. Based on these properties an efficient bisection heuristic is developed where at each iteration, the classical uncapacitated facility location and/or m-median subproblems are solved using available efficient heuristics.     

Topography of the potential energy hypersurface and criteria for fast-ion conduction in perovskite-related A2B2O5 oxides

We discuss the importance of the topography of the potential energy hypersurface for the ionic conductivity of perovskite-related A(2)B(2)O(5) oxides. A correlation between the energetic preference of the cations for different coordination geometries and the ionic conductivity is proposed based on a first principles periodic density functional theory study of selected possible structures for Ba(2)In(2)O(5), Sr(2)Fe(2)O(5), Sr(2)Mn(2)O(5), and La(2)Ni(2)O(5). There are a large number of low-energy local minima on the potential energy hypersurfaces of the two first compounds due to an energetic preference for BO(4) tetrahedra. Tetrahedral environments are energetically unfavorable for Mn(III) in Sr(2)Mn(2)O(5) and for Ni(II) in La(2)Ni(2)O(5), and the number of low-energy configurations is relatively low in these two cases. Consistent with our findings, in contrast to Sr(2)Fe(2)O(5) and Ba(2)In(2)O(5), Sr(2)Mn(2)O(5) and La(2)Ni(2)O(5) do not exhibit transitions to disordered phases on heating, and there appear to be no reports of enhanced ionic conductivity for these compounds. Thus we suggest that the possibility of many different oxygen orderings associated with a variety of low-energy connectivity schemes within tetrahedral layers such as in the brownmillerite-based structures of Sr(2)Fe(2)O(5) and Ba(2)In(2)O(5) is a prerequisite for high ionic conductivity in perovskite-related A(2)B(2)O(5) oxides.     

2-jet production in polarised\vec p\vec pcollisions

Following recent interest in the subject of polarisation phenomena, we discuss the cross-sections and polarisation asymmetry in 2-jet production in polarised proton-polarised proton ( ) scattering. We set up a complete set of parametrisations for the proton spin-dependent parton densities and use them to demonstrate that this cross-section is dominated by gluonic terms. Hence, a measurement of the asymmetry in such processes will provide information on the gluon spin-dependent density. We further show that a factorisation of the hadronic cross-section a la Combridge and Maxwell's work in unpolarised 2-jet production also applies to the spin-dependent case. Hence, the cross-section can be written in terms of a genericpolarised parton density, which can then be measured in the process.     

Structural phase stability studies on MBeH3 (M = Li, Na, K, Rb, Cs) from density functional calculations

Density functional theory calculations within the generalized-gradient approximation are used to establish the ground-state structure, equilibrium structural parameters, and electronic structure for MBeH(3) phases. From the 24 structural arrangements used as inputs for structural optimization calculations, the ground-state crystal structures of MBeH(3) phases have been predicted. At ambient conditions, LiBeH(3) and NaBeH(3) crystallize with perovskite-related orthorhombic and cubic structures, respectively. The remaining phases KBeH(3), RbBeH(3), and CsBeH(3) crystalize in a monoclinic structure. In the predicted phases one can store up to 15.93 wt % of hydrogen. The formation energy for the MBeH(3) phases have been investigated along different reaction pathways. The electronic structures reveal that all these phases are insulators with estimated band gaps varying between 1.79 and 3.44 eV.     

Thermal and FTIR spectral studies in various proportions of urea thiourea mixed crystal

Mixed crystals of various proportions of urea thiourea were grown by slow evaporation of aqueous solution at room temperature. The bright and transparent crystals obtained were characterized using thermogravimetry–differential thermal analysis (TG–DTA) and FTIR spectroscopic analyses. A fitting decomposition pattern for the title compound was formulated on the TG curve which shows a two-stage mass loss between 175 and 750 °C. In this temperature range, DTA curves show exothermic peaks supporting the formulated decomposition pattern. The FTIR spectra show the characteristic absorption, vibration frequencies due to urea thiourea. Detailed structural analysis of the compound is under progress.     

Zinc-cobalt alloy: electrodeposition and characterization

Zinc-cobalt alloy electrodeposits offer enhanced corrosion protection to steel, compared to zinc deposits. A near neutral zinc-cobalt alloy sulfate bath was developed. In the absence of β-naphthol and sodium lauryl sulfate (SLS), only a light grey and non-uniform deposit was obtained. Addition of boric acid yielded a grey and uniform deposit. To obtain the grey uniform alloy deposit, the optimum bath composition was: 0.5 M ZnSO₄, 0.5 M CoSO₄, 40 g/L H₃BO₃, 0.865 g/L SLS and 0.345 g/L β-naphthol. The current efficiency for alloy deposition was 50% in the current density range 0.5–2.5 A/dm². X-ray fluorescence studies on the alloy deposit formed on steel revealed 58–75% zinc on the surface. Anodic stripping voltammetric studies were carried out on zinc-cobalt alloy films formed on glassy carbon to identify the phases formed in the alloy. Zn-Co alloy film dissolution peaks suggested the existence of β, β₁ and γ phases of the alloy. Electronic Publication     

Metabolic profile of glyburide in human liver microsomes using LC‐DAD‐Q‐TRAP‐MS/MS

The sulfonylurea urea drug glyburide (glibenclamide) is widely used for the treatment of diabetes milletus and gestational diabetes. In previous studies monohydroxylated metabolites were identified and characterized for glyburide in different species, but the metabolite owing to the loss of cyclohexyl ring was identified only in mouse. Glyburide upon incubation with hepatic microsomes resulted in 10 metabolites for human. The current study identifies new metabolites of glyburide along with the hydroxylated metabolites that were reported earlier. The newly identified drug metabolites are dihydroxylated metabolites, a metabolite owing to the loss of cyclohexyl ring and one owing to hydroxylation with dehydrogenation. Among the 10 identified metabolites, there were six monohydroxylated metabolites, one dihydroxylated metabolite, two metabolites owing to hydroxylation and dehydrogenation, and one metabolite owing to the loss of cyclohexyl ring. New metabolites of glyburide were identified and characterized using liquid chromatography–diode array detector–quadruple‐ion trap–mass spectrometry/mass spectrometry (LC‐DAD‐Q‐TRAP‐MS/MS). An enhanced mass scan–enhanced product ion scan with information‐dependent acquisition mode in a Q‐TRAP‐MS/MS system was used to characterize the metabolites. Liquid chromatography with diode array detection was used as a complimentary technique to confirm and identify the metabolites. Metabolites formed in higher amounts were detected in both diode array detection and mass spectrometry detection. Copyright © 2012 John Wiley & Sons, Ltd.     

Thermal Stability of Polystyrene Peroxide

It has been observed that poly(styrene peroxide) with a high molecular weight is thermally less stable than the same polymer with a low molecular weight. This has been explained as being due to the strain on the O-O bond due to the greater polymer chain length.     

Unsteady mixed convection boundary layer flow over a vertical cone with non-uniform slot suction (injection)

The non-similar solution of an unsteady mixed convection laminar boundary layer flow over a vertical cone in the presence of non-uniform surface mass transfer through slot has been obtained while the axis of cone is inline with the flow. The unsteadiness is caused by the time dependent free stream velocity. The governing boundary layer equations are transformed into a non-dimensional form by a group of non-similar transformations. The resulting coupled non-linear partial differential equations have been solved numerically by the combination of quasi-linearization technique and an implicit finite difference scheme. Numerical computations are performed for different values of the parameters to display the velocity and temperature profiles graphically. Both accelerating and decelerating free stream velocities are considered. Numerical results are reported to display the effects of non-uniform single and double slot suction (injection) on skin friction and heat transfer coefficients at the wall. Further, the effects of Prandtl number, buoyancy and mass transfer (suction or injection) parameters at different stream-wise locations for various times on velocity and temperature profiles, and on skin friction and heat transfer coefficients are also presented in this paper.     

Study of a simple oscillatory flow in polar fluids

Summary In the present paper, we have undertaken a comparative study of the flow behaviour of two types of fluids —Eringen's mioropolar fluid andStokes' couple stress fluid — in a simple oscillatory flow. This study was undertaken with a view to see if the close resemblance of the flow behaviour of these two fluids in steady shearing flows was maintained even in time dependent flows. We find that the flow behaviour of these two fluids are widely different in oscillatory motion.