Good Agreement (good + agreement)

Distribution by Scientific Domains
Distribution within Chemistry

Kinds of Good Agreement

  • find good agreement
  • show good agreement
  • showed good agreement
  • showing good agreement
  • shows good agreement
  • very good agreement


  • Selected Abstracts


    Simultaneous estimation of diffusive Volatile Organic Compound (VOC) fluxes and Non-Aqueous Phase Liquid (NAPL) saturation in the vadose zone

    GROUND WATER MONITORING & REMEDIATION, Issue 2 2005
    David Werner
    Soil-gas monitoring is a widely used tool to observe the migration of volatile organic compounds (VOCs) at contaminated sites. By combining this technique with natural gradient tracer methods, diffusive contaminant fluxes can be measured in situ, and non,aqueous phase liquid (NAPL) can be detected and roughly quantified. This work describes the new approach and its application at a field site in Denmark with an emplaced NAPL contamination. Soil-gas probes with a low dead volume were installed at 1-m depths in the sandy vadose zone, and a small volume of gas containing conservative and partitioning tracers was injected. Soil-gas samples were withdrawn subsequently during 1 to 4 h and analyzed simultaneously for VOCs and tracers. Tracers detected the NAPL reliably, and the combined data allowed for a close delineation of the source zone. The calculated NAPL saturation deviated by up to a factor of 3 from the analyses of soil cores. Better agreement was found by taking the NAPL composition into consideration, which is, however, generally unknown at the actual field sites. In addition, the tracers were also used to estimate effective diffusion coefficients in situ, which varied by a factor of 2 between various locations. From these data, diffusive contaminant vapor fluxes were quantified without additional laboratory experiments or the use of empirical relationships. The new approach yields a better site investigation with a few additional measurements. [source]


    Abundances, masses and weak-lensing mass profiles of galaxy clusters as a function of richness and luminosity in ,CDM cosmologies

    MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Issue 1 2010
    Stefan Hilbert
    ABSTRACT We test the concordance , cold dark matter (,CDM) cosmology by comparing predictions for the mean properties of galaxy clusters to observations. We use high-resolution N -body simulations of cosmic structure formation and semi-analytic models of galaxy formation to compute the abundance, mean density profile and mass of galaxy clusters as a function of richness and luminosity, and we compare these predictions to observations of clusters in the Sloan Digital Sky Survey (SDSS) maxBCG catalogue. We discuss the scatter in the mass,richness relation, the reconstruction of the cluster mass function from the mass,richness relation and fits to the weak-lensing cluster mass profiles. The impact of cosmological parameters on the predictions is investigated by comparing results from galaxy models based on the Millennium Simulation (MS) and the WMAP1 simulation to those from the WMAP3 simulation. We find that the simulated weak-lensing mass profiles and the observed profiles of the SDSS maxBCG clusters agree well in shape and amplitude. The mass,richness relations in the simulations are close to the observed relation, with differences ,30 per cent. The MS and WMAP1 simulations yield cluster abundances similar to those observed, whereas abundances in the WMAP3 simulation are two to three times lower. The differences in cluster abundance, mass and density amplitude between the simulations and the observations can be attributed to differences in the underlying cosmological parameters, in particular the power spectrum normalization ,8. Better agreement between predictions and observations should be reached with a normalization 0.722 < ,8 < 0.9 (probably closer to the upper value), i.e. between the values underlying the two simulation sets. [source]


    Influence of complex formation upon inclusion of Mn(II), Co(II), Ni(II), and Cu(II) in ZnC2O4·2H2O

    CRYSTAL RESEARCH AND TECHNOLOGY, Issue 3 2004
    B. Donkova
    Abstract The inclusion of 3d-impurities Mn(II), Co(II), Ni(II) and Cu(II) in a crystalline precipitate of ZnC2O4·2H2O is investigated. This study is a part of the systematic one deal with the mechanism of inclusion of 3d-ions in sparingly soluble oxalate systems. The experiments are carried out in bi- end multi-component systems at two different mediums , one with deficiency of oxalate ions, another with excess. The insertion of 3d-ions upon mass crystallization of ZnC2O4·2H2O does not proceed by a simple ionic substitution. The results show that the inserted amount of impurity depends on some physicochemical characteristics of the neutral monooxalato complexes [MnC2O4]o, [CoC2O4]o, [NiC2O4]o and [CuC2O4]o. Good agreement between included impurity and the concentration of its complex in the solution is established. The stability constant of monooxalato complex affects the impurity inclusion. This effect depends on the medium nature. In the deficiency of oxalate ions the factor determining the inclusion is thermodynamic one , stability of monooxalato complexes. In the excess of oxalate ions inserted amount depends on kinetic factor , the formation rate of these complexes. In the term of that the insertion of Mn(II) is definitely different in the two mediums while that of the Ni (II) does not depend on the medium. The copper shows deviation from overall dependence in the two mediums due to the Jahn-Teller distortion. Its double decreasing insertion in the excess of oxalate ions is related with stabilization of [Cu(C2O4)2]2- . The conclusions presume that by varying the background medium and taking in view the ions present in the solution, the amount of inserted impurities can be predicted and controlled. (© 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source]


    Impulsive Dirac-delta forces in the rocking motion

    EARTHQUAKE ENGINEERING AND STRUCTURAL DYNAMICS, Issue 7 2004
    F. Prieto
    Abstract In this work the classical theory of one block rocking motion is revisited. A Dirac-delta type interaction as impact mechanism is found to be an alternative for the traditional model. Numerical computations with this new formulation have shown that the agreement with the classical theory is excellent for the case of slender blocks and small displacements. Good agreement with experimental data has also been found for the case of arbitrary angles and slenderness. The approach presented in this paper opens new lines for further theoretical developments and computational applications. Copyright © 2004 John Wiley & Sons, Ltd. [source]


    Response of unbounded soil in scaled boundary finite-element method

    EARTHQUAKE ENGINEERING AND STRUCTURAL DYNAMICS, Issue 1 2002
    John P. Wolf
    Abstract The scaled boundary finite-element method is a powerful semi-analytical computational procedure to calculate the dynamic stiffness of the unbounded soil at the structure,soil interface. This permits the analysis of dynamic soil,structure interaction using the substructure method. The response in the neighbouring soil can also be determined analytically. The method is extended to calculate numerically the response throughout the unbounded soil including the far field. The three-dimensional vector-wave equation of elasto-dynamics is addressed. The radiation condition at infinity is satisfied exactly. By solving an eigenvalue problem, the high-frequency limit of the dynamic stiffness is constructed to be positive definite. However, a direct determination using impedances is also possible. Solving two first-order ordinary differential equations numerically permits the radiation condition and the boundary condition of the structure,soil interface to be satisfied sequentially, leading to the displacements in the unbounded soil. A generalization to viscoelastic material using the correspondence principle is straightforward. Alternatively, the displacements can also be calculated analytically in the far field. Good agreement of displacements along the free surface and below a prism foundation embedded in a half-space with the results of the boundary-element method is observed. Copyright © 2001 John Wiley & Sons, Ltd. [source]


    Orthogonal separations of nicotine and nicotine-related alkaloids by various capillary electrophoretic modes

    ELECTROPHORESIS, Issue 9 2004
    Alex Marsh
    Abstract The migration behaviour of nicotine and related tobacco alkaloids was investigated using three different capillary electrophoretic (CE) modes. Novel separations were achieved both using microemulsion electrokinetic chromatography (MEEKC) and nonaqueous CE (NACE). Improved resolution compared to previous studies was obtained using free-solution CE (FSCE). Each technique resulted in different, orthogonal separation selectivity. The suitability of each method for application to the analysis of nicotine lozenges is discussed. The FSCE method was applied to the analysis of nicotine lozenges due to its compatibility with an established lozenge extraction solvent. The method used gave good injection precision and linearity. Good agreement of CE and high-performance liquid chromatography (HPLC) results was obtained. The CE method is therefore considered suitable for the quantitative determination of nicotine in nicotine lozenges. [source]


    The 15N-CPMAS spectra of simazine and its metabolites: measurements and quantum chemical calculations

    EUROPEAN JOURNAL OF SOIL SCIENCE, Issue 4 2007
    A. E. Berns
    Summary DFT calculations are a powerful tool to support NMR studies of xenobiotics such as decomposition studies in soil. They can help interpret spectra of bound residues, for example, by predicting shifts for possible model bonds. The described bound-residue models supported the hypothesis of a free amino side chain already suspected by comparison with the experimental data of the standards. No match was found between the calculated shifts of amide bondings of the amino side chains (free or substituted) and the experimental NMR shifts of a previous study. In the present paper, first-principles quantum chemical calculations were used to support and check the interpretation of the 15N cross polarization-magic angle spinning nuclear magnetic resonance (15N-CPMAS NMR) spectra of simazine and its metabolites. Density functional theory (DFT) calculations were performed using Gaussian 03 and the nuclear magnetic shielding tensors were calculated using the Gauge-Independent Atomic Orbital (GIAO) method and B3LYP/6,311+G(2d,p) model chemistry. Good agreement was reached between the calculated and measured chemical shifts of the core nitrogens and the lactam and lactim forms of the hydroxylated metabolites could be clearly distinguished. The calculated spectra showed that these metabolites exist preferentially in the lactam form, an important fact when considering the possible interactions of such hydroxylated metabolites with the soil matrix. Although the calculated bound-residue models in the present study only partly matched the experimental data, they were nevertheless useful in helping to interpret the experimental NMR results of a previous study. To get a better match between the calculated and the measured shifts of the side-chain nitrogens the calculations need to be further developed, taking into account the influence of neighbouring molecules in the solid state. Altogether, quantum chemical calculations are very helpful in the interpretation of NMR spectra. In the future, they can also be very useful for the prediction of NMR shifts, in particular when it is not possible to measure the metabolites due to a lack of material or in cases where practical experiments cannot be conducted. [source]


    Screening wild cherry (Prunus avium) for resistance to bacterial canker by laboratory and field tests

    FOREST PATHOLOGY, Issue 6 2004
    F. Santi
    Summary Currently, bacterial canker caused by Pseudomonas syringae is a major cause of dieback and tree death in wild cherry (Prunus avium) plantations. The evaluation of breeding collections is needed to produce less susceptible clones or cultivars. Resistance tests were performed using excised shoots (1 and 2 years old) from 79 clones in the laboratory. A subset of 10 clones was also tested in the field. The clones were inoculated with four to seven isolates of a set of 15 isolates of P. s. pv. morsprunorum, P. s. pv. syringae, P. s. pv. persicae, P. syringae pv. avii and P. fluorescens. In the laboratory tests, older and larger shoots were more susceptible. In the field test, size and age of the shoots were not related to girdling by the bacterial canker. Two-year-old shoots were best for clonal discrimination. Correlations between 1 and 2-year-old shoots were significant but not high. The isolates varied a lot between experiments, but as the clone × isolate interactions were always low, breeding could thus be facilitated. The ranking of clones was conserved quite well between two laboratory tests, but not between two others. Good agreement was found for the best clones in the laboratory tests and in the field test. However, the two worst clones in the latter were among the best in one laboratory test. At least two independent tests in the laboratory are needed to evaluate resistance/susceptibility of clones. Broad sense heritability for resistance varied from 0.27 to 0.51. Although moderate, such heritability clearly encourages a breeding approach to reduce the problem of bacterial canker. Résumé Le chancre bactérien (Pseudomonas syringae) est une cause majeure de dépérissement dans les plantations de merisier du nord de la France. Nous devons évaluer les collections pour produire des variétés moins sensibles. Des branches coupées de un ou deux ans de 79 clones ont été testées au laboratoire. Dix de ces clones ont également été testés dans un test en extérieur. Les clones ont été inoculés avec un total de 15 isolats de P. s. pv. morsprunorum, P. s. pv. syringae, P. s. pv. persicae, P. s. pv. avii et P. fluorescens. Les plus fortes infections, mesurées par la longueur du chancre, ont été observées sur les branches les plus âgées et les plus épaisses, mais la taille et l'âge des branches n'ont eu aucune influence sur la note de ceinturation du test au champ. Les branches de deux ans se sont révélées meilleures pour discriminer les clones. Les corrélations entre moyennes de clones avec les branches de un et deux ans étaient significatives mais pas très élevées. Les isolats variaient beaucoup entre expériences, mais comme les interactions clone × bactérie étaient toujours faibles, la sélection clonale en devrait être facilitée. Le classement des clones était bien conservé entre deux tests de laboratoire, mais pas entre deux autres. Le classement entre tests au laboratoire et au champ se trouvait conservé, mais les deux plus mauvais clones dans ce dernier ont été bien classés dans un test de laboratoire, ce qui signifie qu'un seul test a laboratoire est insuffisant pour l'évaluation des clones. Les héritabilités au sens large variaient de 0.27 à 0.51. Bien que modérées, de telles héritabilités encouragent clairement à sélectionner des génotypes moins sensibles pour solutionner le problème du chancre bactérien. Zusammenfassung Der durch Pseudomonas syringae verursachte Bakterienkrebs ist eine der häufigsten Ursachen für das Absterben von Süsskirschen (Prunus avium) in Pflanzungen. Die Prüfung von Zuchtformen auf Resistenz ist nötig, um weniger anfällige Klone und Sorten zu fördern. Die Resistenz von 79 Klonen wurde im Labor an abgeschnittenen ein- und zweijährigen Trieben getestet. Zehn Klone wurden auch im Feld getestet. Die Klone wurden mit je vier bis sieben von insgesamt 15 Isolaten von P. s. pv. morsprunorum, P. s. pv. syringae, P. s. pv. persicae, P. s. pv. avii und P. fluorescens inokuliert. In den Labortests waren die älteren, dickeren Triebe anfälliger, währenddem in den Feldversuchen weder Alter noch Dicke der Triebe eine Rolle spielten. Zweijährige Triebe eigneten sich zur Differenzierung der Klone hinsichtlich ihrer Resistenz besser. Korrelationen zwischen ein- und zweijährigen Trieben waren signifikant aber nicht hoch. Die Reaktionen auf die Isolate variierten stark zwischen den Experimenten, aber die statistisch nachgewiesenen Wechselwirkungen zwischen Klonen und Isolaten waren stets schwach, was die Züchtung neuer Klone erleichtern dürfte. In zwei Labortests erzielten die Klone analoge Bewertungen, währenddem sie in zwei anderen Labortests unterschiedlich reagierten. Die Resultate aus Labor- und Feldversuchen stimmten für die resistentesten Klone gut überein, die anfälligsten Klone im Feldversuch waren jedoch unter den resistentesten in den Laborversuchen. Es sind also mindestens zwei unabhängige Labortests nötig, um den Grad der Resistenz eines Klones zu bestimmen. Der Vererbarkeit der Resistenz variierte zwischen 0.27 und 0.51. Obschon diese Werte moderat sind, sollen sie dazu ermuntern, mittels Züchtung auf eine Reduktion von durch den Bakterienkrebs bedingten Ausfällen hinzuarbeiten. [source]


    Trichlorofluoroethene: A reactive tracer for evaluating reductive dechlorination in large-diameter permeable columns

    GROUND WATER MONITORING & REMEDIATION, Issue 2 2005
    Jennifer A. Field
    Trichlorofluoroethene (TCFE) was used as a reactive tracer to determine the in situ rate of reductive dechlorination in treatment zones impacted by three large-diameter permeable columns (LDPCs) that were installed at a trichloroethene (TCE),contaminated site. The LDPCs were part of a pilot study to evaluate the effectiveness of hydrogen, lactate, and zero-valent iron for remediating TCE-contaminated ground water. The rate of TCFE reductive dechlorination was determined for each LDPC by means of push-pull tests conducted in each treatment layer. In addition, the distribution of TCFE's lesser chlorinated transformation products was determined. The rates of TCFE reductive dechlorination ranged from 0.05/d to 0.20/d and corresponded to half-lives ranging from 3.5 to 13.9 d. cis -Dichlorofluoroethene was the dominant transformation product detected in all the tests, which is consistent with the findings from pilot tests conducted in the LDPCs prior to the TCFE push-pull tests. cis -Chlorofluoroethene (CFE) and 1,1-CFE also were detected and indicate the potential for vinyl chloride to form under all treatment regimes. Significant production of fluoroethene (FE), the analog of ethene, was observed for only one of the hydrogen treatments. Unambiguous and sensitive detection of the lesser chlorinated products, such as CFE and FE, is possible because TCFE and its transformation products are not found in the background ground water at contaminated sites. Good agreement between the rates and transformation product profiles for TCFE and TCE in both field and laboratory experiments indicates the suitability of TCFE as a surrogate for predicting the rates of TCE reductive dechlorination. [source]


    The dynamic characteristics of a thermal control system using latent heat: Comparison between analytical and experimental results

    HEAT TRANSFER - ASIAN RESEARCH (FORMERLY HEAT TRANSFER-JAPANESE RESEARCH), Issue 8 2005
    Terushige Fujii
    Abstract The two-phase flow thermal control system, using latent heat of the internal fluid, has received a great deal of research interest as a method for heat removal on the space station and the Space Solar Power System (SSPS). The system has a much lower weight than the single-phase flow, and the temperature can be accurately controlled by changing the saturated pressure inside the loop. To date, this system has not been put into practical use. Numerical analyses were therefore used to investigate the dynamic responses of the loop and to investigate the operational characteristics of the thermal control system. A simulation model was constructed, and the results of the numerical analysis were compared with the experimental results. Good agreement was obtained between analytical and experimental results. © 2005 Wiley Periodicals, Inc. Heat Trans Asian Res, 34(8): 564,578, 2005; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/htj.20090 [source]


    Simulating pan-Arctic runoff with a macro-scale terrestrial water balance model

    HYDROLOGICAL PROCESSES, Issue 13 2003
    Michael A. Rawlins
    Abstract A terrestrial hydrological model, developed to simulate the high-latitude water cycle, is described, along with comparisons with observed data across the pan-Arctic drainage basin. Gridded fields of plant rooting depth, soil characteristics (texture, organic content), vegetation, and daily time series of precipitation and air temperature provide the primary inputs used to derive simulated runoff at a grid resolution of 25 km across the pan-Arctic. The pan-Arctic water balance model (P/WBM) includes a simple scheme for simulating daily changes in soil frozen and liquid water amounts, with the thaw,freeze model (TFM) driven by air temperature, modelled soil moisture content, and physiographic data. Climate time series (precipitation and air temperature) are from the National Centers for Environmental Prediction (NCEP) reanalysis project for the period 1980,2001. P/WBM-generated maximum summer active-layer thickness estimates differ from a set of observed data by an average of 12 cm at 27 sites in Alaska, with many of the differences within the variability (1,) seen in field samples. Simulated long-term annual runoffs are in the range 100 to 400 mm year,1. The highest runoffs are found across northeastern Canada, southern Alaska, and Norway, and lower estimates are noted along the highest latitudes of the terrestrial Arctic in North America and Asia. Good agreement exists between simulated and observed long-term seasonal (winter, spring, summer,fall) runoff to the ten Arctic sea basins (r = 0·84). Model water budgets are most sensitive to changes in precipitation and air temperature, whereas less affect is noted when other model parameters are altered. Increasing daily precipitation by 25% amplifies annual runoff by 50 to 80% for the largest Arctic drainage basins. Ignoring soil ice by eliminating the TFM sub-model leads to runoffs that are 7 to 27% lower than the control run. The results of these model sensitivity experiments, along with other uncertainties in both observed validation data and model inputs, emphasize the need to develop improved spatial data sets of key geophysical quantities (particularly climate time series) to estimate terrestrial Arctic hydrological budgets better. Copyright © 2003 John Wiley & Sons, Ltd. [source]


    A simplified analysis method for piled raft foundations in non-homogeneous soils

    INTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS, Issue 2 2003
    Pastsakorn Kitiyodom
    Abstract A simplified method of numerical analysis based on elasticity theory has been developed for the analysis of axially and laterally loaded piled raft foundations embedded in non-homogeneous soils and incorporated into a computer program "PRAB". In this method, a hybrid model is employed in which the flexible raft is modelled as thin plates and the piles as elastic beams and the soil is treated as springs. The interactions between structural members, pile,soil,pile, pile,soil,raft and raft,soil,raft interactions, are approximated based on Mindlin's solutions for both vertical and lateral forces with consideration of non-homogeneous soils. The validity of the proposed method is verified through comparisons with some published solutions for single piles, pile groups and capped pile groups in non-homogeneous soils. Thereafter, the solutions from this approach for the analysis of axially and laterally loaded 4-pile pile groups and 4-pile piled rafts embedded in finite homogeneous and non-homogeneous soil layers are compared with those from three-dimensional finite element analysis. Good agreement between the present approach and the more rigorous finite element approach is demonstrated. Copyright © 2002 John Wiley & Sons, Ltd. [source]


    Acoustic eigenanalysis for multiply-connected problems using dual BEM

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING, Issue 6 2004
    J. T. Chen
    Abstract In this paper, the eigenanalysis for the multiply-connected domain problem is studied by using the dual boundary element method. The occurrence and treatment of the spurious eigenvalues for multiply-connected domain problem are reviewed when the complex-valued BEM in used. Three approaches, Burton and Miller method, CHIEF concept and SVD updating techniques, are adopted to suppress the occurrence of spurious eigensolutions. Instead of using the singular and hypersingular formulations, the singularity-free methods, the null-field equation approach and the fictitious BEM, are also utilized to deal with the eigenproblem. Both the eigenvalues and eigenmodes are compared with the analytical solutions and those of FEM for the illustrative examples. Good agreement is made. Copyright © 2004 John Wiley & Sons, Ltd. [source]


    Frictional granular mechanics: A variational approach

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 10 2010
    R. Holtzman
    Abstract The mechanical properties of a cohesionless granular material are evaluated from grain-scale simulations. Intergranular interactions, including friction and sliding, are modeled by a set of contact rules based on the theories of Hertz, Mindlin, and Deresiewicz. A computer-generated, three-dimensional, irregular pack of spherical grains is loaded by incremental displacement of its boundaries. Deformation is described by a sequence of static equilibrium configurations of the pack. A variational approach is employed to find the equilibrium configurations by minimizing the total work against the intergranular loads. Effective elastic moduli are evaluated from the intergranular forces and the deformation of the pack. Good agreement between the computed and measured moduli, achieved with no adjustment of material parameters, establishes the physical soundness of the proposed model. Copyright © 2009 John Wiley & Sons, Ltd. [source]


    Partition of unity enrichment for bimaterial interface cracks

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 8 2004
    N. Sukumar
    Abstract Partition of unity enrichment techniques are developed for bimaterial interface cracks. A discontinuous function and the two-dimensional near-tip asymptotic displacement functions are added to the finite element approximation using the framework of partition of unity. This enables the domain to be modelled by finite elements without explicitly meshing the crack surfaces. The crack-tip enrichment functions are chosen as those that span the asymptotic displacement fields for an interfacial crack. The concept of partition of unity facilitates the incorporation of the oscillatory nature of the singularity within a conforming finite element approximation. The mixed-mode (complex) stress intensity factors for bimaterial interfacial cracks are numerically evaluated using the domain form of the interaction integral. Good agreement between the numerical results and the reference solutions for benchmark interfacial crack problems is realized. Copyright © 2004 John Wiley & Sons, Ltd. [source]


    An orthotropic damage model for masonry structures

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, Issue 2 2002
    Luisa Berto
    Abstract An orthotropic damage model specifically developed for the analysis of brittle masonry subjected to in-plane loading is described. Four independent internal damage parameters, one in compression and one in tension for each of the two natural axes of the masonry, are defined allowing the stiffness recovery at crack closure as well as the different inelastic behaviour along each natural axis to be considered. The damage field of the material is defined in terms of four equivalent stresses and results, in the space of the in-plane effective stresses, in a double pyramid with a rectangular base where the slopes of the faces correspond to the internal friction angle of the material. The equivalent stresses also control the growth of the damage parameters. The returning path from the effective to the damaged stresses is given by multiplication by a fourth-rank damage effect tensor, which is a function of the damage parameters and of the effective stress state. Mesh size regularization is achieved by means of an enhanced local method taking into account the finite element size. Good agreement has been found in the comparison between numerical results and experimental data both for masonry shear panels and for a large-scale masonry holed wall. Copyright © 2002 John Wiley & Sons, Ltd. [source]


    FEM simulation of turbulent flow in a turbine blade passage with dynamical fluid,structure interaction

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 12 2009
    Lixiang Zhang
    Abstract Results are described from a combined mathematical modeling and numerical iteration schemes of flow and vibration. We consider the coupling numerical simulations of both turbulent flow and structure vibration induced by flow. The methodology used is based on the stabilized finite element formulations with time integration. A fully coupled model of flow and flow-induced structure vibration was established using a hydride generalized variational principle of fluid and solid dynamics. The spatial discretization of this coupling model is based on the finite element interpolating formulations for the fluid and solid structure, while the different time integration schemes are respectively used for fluid and solid structure to obtain a stabilized algorithm. For fluid and solid dynamics, Hughes' predictor multi-corrector algorithm and the Newmark method are monolithically used to realize a monolithic solution of the fully coupled model. The numerical convergence is ensured for small deformation vibrating problems of the structure by using different time steps for fluid and solid, respectively. The established model and the associated numerical methodology developed in the paper were then applied to simulate two different flows. The first one is the lid-driven square cavity flow with different Reynolds numbers of 1000, 400 and 100 and the second is the turbulent flows in a 3-D turbine blade passage with dynamical fluid,structure interaction. Good agreement between numerical simulations and measurements of pressure and vibration acceleration indicates that the finite element method formulations developed in this paper are appropriate to deal with the flow under investigation. Copyright © 2009 John Wiley & Sons, Ltd. [source]


    Finite element modelling of free-surface flows with non-hydrostatic pressure and k,, turbulence model

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 2 2005
    C. Leupi
    Abstract Validation of 3D finite element model for free-surface flow is conducted using a high quality and high spatial resolution data set. The commonly numerical models with the conventional hydrostatic pressure still remain the most widely used approach for the solution of practical engineering problems. However, when a 3D description of the velocity field is required, it is useful to resort to a more accurate model in which the hydrostatic assumption is removed. The present research finds its motivation in the increasing need for efficient management of geophysical flows such as estuaries (multiphase fluid flow) or natural rivers with the presence of short waves and/or strong bathymetry gradient, and/or strong channel curvature. A numerical solution is based on the unsteady Reynolds-averaged Navier,Stokes equations on the unstructured grid. The eddy viscosity is calculated from the efficient k,, turbulence model. The model uses implicit fractional step time stepping, and the characteristics method is used to compute the convection terms in the multi-layers system (suitable for the vertical stratified fluid flow), in which the vertical grid is located at predefined heights and the number of elements in the water column depends on water depth. The bottommost and topmost elements of variable height allow a faithful representation of the bed and the time-varying free-surface, respectively. The model is applied to the 3D open channel flows of various complexity, for which experimental data are available for comparison. Computations with and without non-hydrostatic are compared for the same trench to test the validity of the conventional hydrostatic pressure assumption. Good agreement is found between numerical computations and experiments. Copyright © 2005 John Wiley & Sons, Ltd. [source]


    Fringe element reconstruction for front tracking for three-dimensional incompressible flow analysis

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 6 2005
    Du-Soon Choi
    Abstract Fringe element reconstruction technique for tracking the free surface in three-dimensional incompressible flow analysis was developed. The flow field was calculated by the mixed formulation based on a four-node tetrahedral element with a bubble function at the centroid (P1+/P1). Since an Eulerian approach was employed in this study, the flow front interface was advected by the flow through a fixed mesh. For accurate modelling of interfacial movement, a fringe element reconstruction method developed can provide not only an accurate treatment of material discontinuity but also surface tension across the interface. The effect of surface tension was modelled by imposing tensile stress directly on the constructed surface elements at the flow front interface. To verify the numerical approach developed, the developed algorithm was applied to two examples whose solutions are available in references. Good agreement was obtained between the simulation results and these solutions. Copyright © 2005 John Wiley & Sons, Ltd. [source]


    Stability and slightly supercritical oscillatory regimes of natural convection in a 8:1 cavity: solution of the benchmark problem by a global Galerkin method

    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 2 2004
    Alexander Yu.
    Abstract The global Galerkin method is applied to the benchmark problem that considers an oscillatory regime of convection of air in a tall two-dimensional rectangular cavity. The three most unstable modes of the linearized system of the Boussinesq equations are studied. The converged values of the critical Rayleigh numbers together with the corresponding oscillation frequencies are calculated for each mode. The oscillatory flow regimes corresponding to each of the three modes are approximated asymptotically. No direct time integration is applied. Good agreement with the previously published results obtained by solution of the time-dependent Boussinesq equations is reported. Copyright © 2004 John Wiley & Sons, Ltd. [source]


    Ignition and oxidation of 1-hexene/toluene mixtures in a shock tube and a jet-stirred reactor: Experimental and kinetic modeling study

    INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, Issue 9 2007
    M. Yahyaoui
    The oxidation of several binary mixtures 1-hexene/toluene has been investigated both in a shock tube and in a jet-stirred reactor (JSR). The self-ignition behavior of binary mixtures was compared to that of neat hydrocarbons studied under the same conditions. Furthermore, molecular species concentration profiles were measured by probe-sampling and GC/MS, FID, TCD analyses for the oxidation of the mixtures in a JSR. Experiments were carried out over the temperature range 750,1860 K. Mixtures were examined under two pressures 0.2 and 1 MPa, with 0.1% initial concentration of fuel. The equivalence ratio was varied from 0.5 to 1.5. The experiments were modeled using a detailed chemical kinetic reaction mechanism. The modeling study showed that interactions between hydrocarbons submechanisms were not limited to small reactive radicals. Other types of interactions involving hydrocarbon fragments derived from the oxidation of the fuel components must be considered. These interactions mainly consist of hydrogen abstraction reactions. For example, benzyl radical that is the major radical produced from the oxidation of toluene at high temperature can abstract hydrogen from 1-hexene and their products such as hexenyl radicals. Similarly, propyl, allyl, and hexenyl radicals that are the major radicals produced during 1-hexene oxidation at high temperature can abstract hydrogen from toluene. Improved modeling was achieved when such interaction reactions were included in the model. Good agreement between experimental and calculated data was obtained using the proposed detailed chemical kinetic scheme. © 2007 Wiley Periodicals, Inc. Int J Chem Kinet 39: 518,538, 2007 [source]


    Estimation of apparent thermal conductivity of carrot purée during freezing using inverse problem

    INTERNATIONAL JOURNAL OF FOOD SCIENCE & TECHNOLOGY, Issue 7 2009
    Viviana Cocco Mariani
    Summary This article presents an inverse problem to determine the apparent thermal conductivity of carrot purée during the freezing process. The heat diffusion equation with the enthalpy model is solved to estimate the thermal conductivity. A modern meta-heuristic of evolutionary computation field called Differential Evolution (DE) is applied for the solution of inverse problem. Experiments were performed to estimate the thermal conductivity of the carrot purée as a function of temperature, using two piecewise functions. A best least square fitting between the experimental and predicted temperature curves during freezing conditions is obtained using DE. Statistical analysis are considered with Gaussian error of 0.05 and zero mean showing than the results for one piecewise function are more stable than with another piecewise function. Good agreement between the reported and estimated temperature curves was obtained. The apparent thermal conductivity was observed to decrease asymptotically with temperature in the range [,40 °C, 0 °C] and stay approximately a constant value for temperatures bigger than 0 °C. [source]


    Effective collision strengths for electron-impact excitation of transitions within the ground 1s2 2s2 2p4 manifold of O-like Fe18+

    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 9 2009
    Juan A. Santana
    Abstract Collision strengths have been computed for the electron impact excitations of parity and spin forbidden transitions within the ground 1s22s22p4 manifold of Fe XIX (Fe18+). The calculations were carried out using a relativistic R-matrix close-coupling method based on the effective many-body Hamiltonian. Twenty-six target states were included in the close-coupling expansion. Effective collision strengths, assuming a Maxwellian electron velocity distribution, were evaluated for all transitions within the ground configuration. Good agreement is found with previous Breit-Pauli R-matrix calculations at low electron temperatures, 5.0 , log Te , 6.0 K, for all the transitions, whereas significant differences are found for electron temperatures in the range 6.0 , log Te , 7.0 K. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009 [source]


    Efficient analysis of wireless communication antennas using an accurate [Z] matrix interpolation technique

    INTERNATIONAL JOURNAL OF RF AND MICROWAVE COMPUTER-AIDED ENGINEERING, Issue 4 2010
    Yikai Chen
    Abstract An accurate impedance matrix interpolation technique based on the surface integral equation (SIE) is presented for the analysis of wireless communication antennas over wide frequency bands. The first-order derivative of the impedance matrix at the internal frequency is considered in the cubic polynomial-based interpolation scheme, thus the novel impedance matrix interpolation scheme will provide high accuracy and high efficiency over a frequency band. To demonstrate the efficiency and accuracy of the proposed method, numerical results for planar inverted F antennas (PIFA) and a wideband E-shaped patch antenna are presented. Good agreement among the interpolation results, exact MoM solutions, finite element method (FEM) solutions, and measured data is observed over the bandwidth. Besides, dimensions of the feeding probe are also studied to investigate their effect on the input impedance and radiation patterns. © 2010 Wiley Periodicals, Inc. Int J RF and Microwave CAE, 2010. [source]


    Enabling a compact model to simulate the RF behavior of MOSFETs in SPICE

    INTERNATIONAL JOURNAL OF RF AND MICROWAVE COMPUTER-AIDED ENGINEERING, Issue 3 2005
    Reydezel Torres-Torres
    Abstract A detailed methodology for implementing a MOSFET model valid to perform RF simulations is described in this article. Since the SPICE-like simulation programs are used as a standard tool for integrated circuit (IC) design, the resulting model is oriented for its application under the SPICE environment. The core of the proposed model is the popular BSIM3v3, but in this model the RF effects are taken into account by means of extrinsic lumped elements. Good agreement between the simulated and measured small-signal S -parameter data is achieved for a 0.18-,m channel-length MOSFET, thus validating the proposed model. © 2005 Wiley Periodicals, Inc. Int J RF and Microwave CAE 15, 2005. [source]


    Analysis and characterization of package resonance

    INTERNATIONAL JOURNAL OF RF AND MICROWAVE COMPUTER-AIDED ENGINEERING, Issue 1 2005
    El-Badawy El-Sharawy
    Abstract This article presents FDTD analysis and prediction of the overall effects of the resonance in ceramic and plastic packages. Practical structures that result in strong resonance effects are investigated, such as coupled cross lines with a via transition and multiple via transitions on a single line. A detailed study of the mutual coupling, including resonance effects, is also performed and presented. The results of the analysis indicate that the package performance can be very sensitive to the resonance effects. A broadband equivalent-circuit model for multiple transition discontinuities (two via holes) on a single line has been developed and presented. Good agreement between the frequency response of the FDTD and the circuit models has been achieved over a broad band of frequencies. The analysis presented in this article provides insight about the limits at which coupling effects on the overall package performance can be neglected. The equivalent-circuit model presented in this article can greatly simplify the analysis and simulation of a complex package, including several transition discontinuities, assuming that the coupling is small. © 2004 Wiley Periodicals, Inc. Int J RF and Microwave CAE, 2005. [source]


    Analysis of microwave circuits including lumped elements based on the iterative method

    INTERNATIONAL JOURNAL OF RF AND MICROWAVE COMPUTER-AIDED ENGINEERING, Issue 4 2003
    H. Trabelsi
    Abstract The work presented here introduces lumped elements to an iterative method based on the wave concept combined with the two-dimentional fast Fourrier transformation algorithm known as fast modal transformation (FMT). We extend this method to the analysis of microwave-distributed circuits containing passive or active, linear or nonlinear lumped elements which are characterized by their surface impedance as defined in this article. Simulation results of varactor-tuned filter and phase-shifter circuit examples are compared with the measurement results. Good agreement between simulated and experimental results validates the use of the iterative method for the analysis of planar circuits, including lumped elements. © 2003 Wiley Periodicals, Inc. Int J RF and Microwave CAE 13: 269,275, 2003. [source]


    Analysis and modeling of microstrip-to-coplanar flip chip package interconnects

    INTERNATIONAL JOURNAL OF RF AND MICROWAVE COMPUTER-AIDED ENGINEERING, Issue 4 2001
    Hussein H. M. Ghouz
    Abstract In this paper, the discontinuity of a flip chip transition between a microstrip line and a coplanar waveguide is investigated and modeled using the finite-difference time-domain method (FDTD) to predict the overall S -parameters of the package. Effects of the bump and via interconnects on the package performance are investigated and discussed. This includes the effects of different staggered transitions and ground connects on the package performance. A reduction of about 10 dB in the bump and via reflections can be achieved by staggering the signal (bump) and the ground connects (bump/via). A staggering distance of about twice the slot width gave minimum reflection over a wide band of frequencies. Moreover, the larger the relative distance between the ground and the center connects the less the reflection due to the discontinuity. Finally, the computed S -parameters of the flip chip package using the FDTD solution are used to develop an equivalent circuit model for the transition discontinuity over a wide frequency band. The equivalent circuit model of the microstrip to coplanar waveguide discontinuity includes more elements and is more complex than other types of transitions. A TEE or PI circuit model has been used to approximate the general circuit model of the discontinuity. Good agreement has been obtained between the S -parameters of the FDTD model and the equivalent circuit models over a wide frequency band. © 2001 John Wiley & Sons, Inc. Int J RF and Microwave CAE 11: 202,211, 2001. [source]


    Evaluation of DRAINMOD-S for simulating water table management under semi-arid conditions,

    IRRIGATION AND DRAINAGE, Issue 3 2002
    M. A. S. Wahba
    modèl e dela direction dela table d'eau souterraine; le drainage conventionnel; le drainage contrôlé Abstract The water table management simulation model, DRAINMOD-S, was evaluated under semi-arid conditions using field data from the Maruit experimental field in the western delta of Egypt for three cropping seasons; maize 1999, wheat 1999/2000 and maize 2000. Two water table management systems (conventional drainage (FD) and controlled drainage (CD)) were applied in the study area. The recorded data included daily ground water table depths, drain outflows during flow events, soil salinity to depth of 1.20 m from the soil surface (0.30 m interval), and relative crop yield. DRAINMOD-S was run to simulate the applied water table management systems for the same study periods. The reliability of the model was evaluated by comparing measured and predicted values of the daily ground water table depth, cumulative outflow based on total monthly outflow, soil salinity during each season, and relative crop yield. Good agreement was found between the measured and predicted values. DRAINMOD-S predicted values within an absolute deviation ranged from 11.0 to 16.0 cm for ground water table depth, from 18 to 75 mm for drain outflows, from 0.22 to 1.08 dS m,1 for soil salinity, and from 4.62 to 4.86% for relative crop yield. The model showed the potential for long-term simulation and planning of ground water table management systems under semi-arid conditions of the western delta of Egypt. Copyright © 2002 John Wiley & Sons, Ltd. RÉSUMÉ Le modèle DRAINMOD-S pour simuler la direction de la table d'eau sous des conditions demi-arides á été évalué en utilisant le data des champs experimentaux du Mariut delta denileouest d'Égypte pendant trois saisons agricoles: le maïs 1999, le blé 1999/2000 et le maïs 2000. Deux systèmes de direction de la table d'eau (drainage conventionnel (FD) et drainage contrôlé (CD)) ontété appliqués àla superficie de l'étude. Le data qui s'est remis en ordre s'inclut les mesures des profondeurs de la table d'eau souterraine, les écoulements des drains pendant les évènements de l'écoulement, la salinité du sol au profondeur de 1.20 m souterrain aux intervalles de 30 cm, etles produits agricoles relatifs. DRAINMOD-S S'est mis en courant pour simuler l'application des systèmes de la direction pour la même période d'étude. La véracité du modèle aété évaluée en comparant les valeurs mésurées avec lcelles des produits agricoles sur le profondeur de la table d'eau quotidien, l'écoulement cumulatif basé sur l'écoulement total du mois, la salinité du sol pendant chaque saison, et les produits agricoles relatifs. On a trouvé un bon accord entre les valeurs mésurées et celles qu'on avait prédites avec une déviation absolue qui rangeait de 11.0 à 16.0 cm pour la profondeur de la table d'eau, de 18 à 75 mm pour l'écoulement du drains, et de 0.22 à 1.08 dS m,1, pour la salinité du sol et de 4.62 à 4.86% pour les produits agricoles relatifs. Le modèle a indiqué une éfficacité pour une simulation allongée et pour projeter les systèmes de la direction dela table d'eau souterraine auprès les conditions demi-arides du delta ouest en Egypte. Copyright © 2002 John Wiley & Sons, Ltd. [source]


    In-house characterization of protein powder

    JOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 4 2010
    Christian Grundahl Hartmann
    X-ray powder diffraction patterns of lysozyme and insulin were recorded on a standard in-house powder diffractometer. The experimental powder diffraction patterns were compared with patterns calculated from Protein Data Bank coordinate data. Good agreement was obtained by including straightforward corrections for background, unit-cell parameters, disordered bulk solvent and geometric factors. In particular the solvent correction was found crucial for a good agreement. A revised Lorentz factor was derived, which gave a minor, but significant, improvement to the fit in the low-angle region. An attempt to include calculated H-atom positions did not improve the overall fit and was abandoned. The method devised was shown to be a quick and convenient tool for distinguishing precipitates and polymorphs of proteins. [source]