Preconditioned iterative methods for coupled discretizations of fluid flow problems

Computational fluid dynamics, where simulations require largecomputation times, is one of the areas of application of highperformance computing. Schemes such as the SIMPLE (semi-implicitmethod for pressure-linked equations) algorithm are often usedto solve the discrete Navier-Stokes equations. Generally theseschemes take a short time per iteration but require a largenumber of iterations. For simple geometries (or coarser grids)the overall CPU time is small. However, for finer grids or morecomplex geometries the increase in the number of iterationsmay be a drawback and the decoupling of the differential equationsinvolved implies a slow convergence of rotationally dominatedproblems that can be very time consuming for realistic applications.So we analyze here another approach, DIRECTO, that solves theequations in a coupled way. With recent advances in hardwaretechnology and software design, it became possible to solvecoupled Navier-Stokes systems, which are more robust but implyincreasing computational requirements (both in terms of memoryand CPU time). Two approaches are described here (band blockLU factorization and preconditioned GMRES) for the linear solverrequired by the DIRECTO algorithm that solves the fluid flowequations as a coupled system. Comparisons of the effectivenessof incomplete factorization preconditioners applied to the GMRES(generalized minimum residual) method are shown. Some numericalresults are presented showing that it is possible to minimizeconsiderably the CPU time of the coupled approach so that itcan be faster than the decoupled one.     

Preordered affine Hjelmslev planes

An affine Hjelmslev plane (AH-plane)H is preordered if it is endowed with a betweenness relation which is preserved by bijective parallel projections. Preordered biternary rings are defined and are used to construct preordered AH-planes. Conversely, a preordered AH-plane induces a preordering on any of its biternary rings. The concepts used in this paper are compared with those in a recent independent study of preordered affine Klingenberg planes by F. Machala. Unlike the Klingenberg case, preordered AH-planes always possess convex neighbour classes and unlike ordered ordinary affine planes, preordered AH-planes are never archimedian.The authors gratefully acknowledge the support of the Natural Sciences and Engineering Research Council of Canada.     

Some mathematical problems in seriation

Some mathematical aspects of seriation are studied in this paper. Certain conditions on an abundance or an incidence matrix have been given in the past which imply that there exists a permutation of its rows so that the resulting matrix is a Q matrix (in which case the original matrix is said to be a pre-Q). These types of results have applications to chronologically ordering archaeological provenances under certain circumstances. Unfortunately these conditions are deficient both theoretically and practically, in that for much archaeological data the conditions are not necessarily true yet the corresponding provenances do have chronological orderings. Here we are able to generalize these results in two ways. First we are able to establish necessary and sufficient conditions on the rows of a matrix for it to be pre-Q. These conditions are local in that they concern only certain triples and quadruples of the rows. Secondly, we are able to interpret seriation in terms of a ternary relation R on a set A and prove the results in this general context. In this form the theorem says that if only certain of the triples and quadruples are R-strings, then the whole set A is an R-string, and so has a linear order consistent with the ternary relation R. This would appear to generalize a theorem of P. C. Fishburn. Both aspects of the generalization mean that the results stated herein have a wider applicability than those given heretofore. Possibly more importantly than this is that they lead to numerical invariants, called the fixing number and the related linear rigidity, of such an R-string on A. The archaeological interpretation of these is given in the paper and data supplied which illustrates this point. Finally various other conditions on products and representations of relations are stated which imply that A is an R-string. One of these generalizes and completes a theorem of D. G. Kendall.     

Preparation, structural analysis and dielectric properties of Bi x La1−x FeO3 perovskite

Rare earth element substituted bismuth ferrites (BiFeO₃) are of enormous importance as magnetoelectric materials. The polycrystalline samples of Bi _x La_1−x FeO₃ (x=0, 0.2, 0.4, 0.6, 0.8) were prepared by solid-state reaction using standard ceramic method. The single-phase formation of these compounds was confirmed by X-ray diffraction (XRD) studies. The samples with x=0, 0.2, 0.4, 0.6 are found to be orthorhombic while the sample with x=0.8 is triclinic. The dielectric constant (ε′) and dissipation factor (tan δ) were measured in the frequency range 100 Hz to 1 MHz at room temperature and as a function of temperature at certain fixed frequencies (1 kHz, 10 kHz, 100 kHz, 1 MHz). All the samples showed dielectric dispersion. The dielectric constant with temperature shows a broad peak; the peak temperature shifts with frequency which reflects the relaxor-type behavior. The peak above 600 K in the measured temperature range corresponds to antiferromagnetic ordering temperature (Néel temperature). The broadness of the peak changes with composition. The ac conductivity as well as ε′ are found to be maximum for the sample x=0.2 at room temperature.     

Colloid aggregation arrested by caging within a polymer network

The aggregation of colloidal particles within the confines of a polymer network has been studied. An isorefractive covalently cross-linked polymer gel in dimethyl sulfoxide was formulated so that the multicomponent system that is the gel is essentially invisible to light scattering. The high dielectric solvent was chosen so that electrostatics could be used to control the state of aggregation of a colloid dispersed within the gel matrix. Smoluchowski's population balance equations were solved for the case where aggregates larger than the gel's mesh spacing are immobile. Light scattering intensities predicted from the evolution of the aggregate population were calculated. The observed asymptotic increase in scattering intensity is consistent with this model and indicates that the aggregation process becomes arrested by the spatial constraints imposed by the mesh of the polymer network. Essentially once the aggregates reach a certain size, they become caged within the mesh of the gel network and thus no longer aggregate. Evidence is also given that indicates that formulating for specific gel properties can lead to controlled final aggregate size.     

Impurity analysis of gentamicin bulk samples by improved liquid chromatography-ion trap mass spectrometry

Several gentamicin bulk samples from different origins were investigated using an LC/MS method.LC equipped with ion trap MS with positive ionization was performed on a Capcell Pak C18(AQ) column with the mobile phase containing 50 mM trifluoroacetic(TFA) and methanol.Impurities present in batches of gentamicin bulk samples were elucidated and compared according to their fragmentation behavior.In total seventeen impurities present in samples,five impurities were not elucidated and two compounds were identifi...