Extended Muskingum method for flood routing

Routing of floods is essential to control the flood flow at the flood control station such that it is within the specified safe limit. In this paper, the applicability of the extended Muskingum method is examined for routing of floods for a case study of Hirakud reservoir, Mahanadi river basin, India. The inflows to the flood control station are of two types-one controllable which comprises of reservoir releases for power and spill and the other is uncontrollable which comprises of inflow from lower tributaries and intermediate catchment between the reservoir and the flood control station. Muskingum model is improved to incorporate multiple sources of inflows and single outflow to route the flood in the reach. Instead of time lag and prismoidal flow parameters, suitable coefficients for various types of inflows were derived using Linear Programming. Presently, the decisions about operation of gates of Hirakud dam are being taken once in 12 h during floods. However, four time intervals of 24, 18, 12 and 6 h are examined to test the sensitivity of the routing time interval on the computed flood flow at the flood control station. It is observed that mean relative error decreases with decrease in routing interval both for calibration and testing phase. It is concluded that the extended Muskingum method can be explored for similar reservoir configurations such as Hirakud reservoir with suitable modifications. (C) 2010 International Association of Hydro-environment Engineering and Research. Asia Pacific Division. Published by Elsevier By. All rights reserved.

Parallel implementation of alternate quadrant interlocking factorisation method on star topology

This paper discusses the parallel implementation of the solution of a set of linear equations using the Alternative Quadrant Interlocking Factorisation Methods (AQIF), on a star topology. Both the AQIF and LU decomposition methods are mapped onto star topology on an IBM SP2 system, with MPI as the internode communicator. Performance parameters such as speedup, efficiency have been obtained through experimental and theoretical means. The studies demonstrate (i) a mismatch of 15% between the theoretical and experimental results, (ii) scalability of the AQIF algorithm, and (iii) faster executing AQIF algorithm.

Rapid method of consolidation testing

The determination of consolidation characteristics forms an important aspect in the design of foundations and other earth-retaining structures. The conventional consolidation test as originally proposed by Teaaghi takes considerable time (more than 15 days in highly compressible soils with low coefficient of consolidation) and effort. Any effort to reduce the duration of testing will be desirable from several considerations. In this paper, an attempt has been made to propose a rapid method of consolidation testing. In the proposed method, the next load increment is applied as soon as the necessary time required to identify the percent consolidation is reached and to evaluate the coefficient of consolidation by one of the popular curve-fitting procedures. The rectangular hyperbola method has been used to identify the percent consolidation reached after any load increment, and to determine the coefficient of consolidation, before making the next load increment. The time required to complete the test using the rapid consolidation method could be as low as 4-5 h compared with 1 or 2 weeks in the case of the conventional consolidation test.

A checking method for probabilistic seismic-hazard assessment: case studies on three cities

The conventional Cornell's source-based approach of probabilistic seismic-hazard assessment (PSHA) has been employed all around the world, whilst many studies often rely on the use of computer packages such as FRISK (McGuire FRISK-a computer program for seismic risk analysis. Open-File Report 78-1007, United States Geological Survey, Department of Interior, Washington 1978) and SEISRISK III (Bender and Perkins SEISRISK III-a computer program for seismic hazard estimation, Bulletin 1772. United States Geological Survey, Department of Interior, Washington 1987). A ``black-box'' syndrome may be resulted if the user of the software does not have another simple and robust PSHA method that can be used to make comparisons. An alternative method for PSHA, namely direct amplitude-based (DAB) approach, has been developed as a heuristic and efficient method enabling users to undertake their own sanity checks on outputs from computer packages. This paper experiments the application of the DAB approach for three cities in China, Iran, and India, respectively, and compares with documented results computed by the source-based approach. Several insights regarding the procedure of conducting PSHA have also been obtained, which could be useful for future seismic-hazard studies.

A differential geometric method for kinematic analysis of two- and three-degree-of-freedom rigid body motions

In this paper, we present a novel differential geometric characterization of two- and three-degree-of-freedom rigid body kinematics, using a metric defined on dual vectors. The instantaneous angular and linear velocities of a rigid body are expressed as a dual velocity vector, and dual inner product is defined on this dual vector, resulting in a positive semi-definite and symmetric dual matrix. We show that the maximum and minimum magnitude of the dual velocity vector, for a unit speed motion, can be obtained as eigenvalues of this dual matrix. Furthermore, we show that the tip of the dual velocity vector lies on a dual ellipse for a two-degree-of-freedom motion and on a dual ellipsoid for a three-degree-of-freedom motion. In this manner, the velocity distribution of a rigid body can be studied algebraically in terms of the eigenvalues of a dual matrix or geometrically with the dual ellipse and ellipsoid. The second-order properties of the two- and three-degree-of-freedom motions of a rigid body are also obtained from the derivatives of the elements of the dual matrix. This results in a definition of the geodesic motion of a rigid body. The theoretical results are illustrated with the help of a spatial 2R and a parallel three-degree-of-freedom manipulator.

Modeling of concrete cracking-A hybrid technique of using displacement discontinuity element method and direct boundary element method

This paper presents a new approach by making use of a hybrid method of using the displacement discontinuity element method and direct boundary element method to model concrete cracking by incorporating fictitious crack model. Fracture mechanics approach is followed using the Hillerborg's fictitious crack model. A boundary element based substructure method and a hybrid technique of using displacement discontinuity element method and direct boundary element method are compared in this paper. In order to represent the process zone ahead of the crack, closing forces are assumed to act in such a way that they obey a linear normal stress-crack opening displacement law. Plain concrete beams with and without initial crack under three-point loading were analyzed by both the methods. The numerical results obtained were shown to agree well with the results from existing finite element method. The model is capable of reproducing the whole range of load-deflection response including strain-softening and snap-back behavior as illustrated in the numerical examples. (C) 2011 Elsevier Ltd. All rights reserved.

DEPTH: a web server to compute depth and predict small-molecule binding cavities in proteins

Depth measures the extent of atom/residue burial within a protein. It correlates with properties such as protein stability, hydrogen exchange rate, protein-protein interaction hot spots, post-translational modification sites and sequence variability. Our server, DEPTH, accurately computes depth and solvent-accessible surface area (SASA) values. We show that depth can be used to predict small molecule ligand binding cavities in proteins. Often, some of the residues lining a ligand binding cavity are both deep and solvent exposed. Using the depth-SASA pair values for a residue, its likelihood to form part of a small molecule binding cavity is estimated. The parameters of the method were calibrated over a training set of 900 high-resolution X-ray crystal structures of single-domain proteins bound to small molecules (molecular weight < 1.5 KDa). The prediction accuracy of DEPTH is comparable to that of other geometry-based prediction methods including LIGSITE, SURFNET and Pocket-Finder (all with Matthew's correlation coefficient of similar to 0.4) over a testing set of 225 single and multi-chain protein structures. Users have the option of tuning several parameters to detect cavities of different sizes, for example, geometrically flat binding sites. The input to the server is a protein 3D structure in PDB format. The users have the option of tuning the values of four parameters associated with the computation of residue depth and the prediction of binding cavities. The computed depths, SASA and binding cavity predictions are displayed in 2D plots and mapped onto 3D representations of the protein structure using Jmol. Links are provided to download the outputs. Our server is useful for all structural analysis based on residue depth and SASA, such as guiding site-directed mutagenesis experiments and small molecule docking exercises, in the context of protein functional annotation and drug discovery.

A method for the calculation of the adsorbed phase volume and pseudo-saturation pressure from adsorption isotherm data on activated carbon

We propose a new method for evaluating the adsorbed phase volume during physisorption of several gases on activated carbon specimens. We treat the adsorbed phase as another equilibrium phase which satisfies the Gibbs equation and hence assume that the law of rectilinear diameters is applicable. Since invariably the bulk gas phase densities are known along measured isotherms, the constants of the adsorbed phase volume can be regressed from the experimental data. We take the Dubinin-Astakhov isotherm as the model for verifying our hypothesis since it is one of the few equations that accounts for adsorbed phase volume changes. In addition, the pseudo-saturation pressure in the supercritical region is calculated by letting the index of the temperature term in Dubinin's equation to be temperature dependent. Based on over 50 combinations of activated carbons and adsorbates (nitrogen, oxygen, argon, carbon dioxide, hydrocarbons and halocarbon refrigerants) it is observed that the proposed changes fit experimental data quite well.

Pd-coated Ni nanoparticles by the polyol method: an efficient hydrogenation catalyst

Pd-coated Ni nanoparticles of 50 +/- 15 nm size are prepared by the polyol method and characterized by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy and thermogravimetry analysis. Surface coverage of Pd on Ni particles is less than a monolayer for 0.5 and 1 at% Pd-coated Ni. Quantitative conversion of nitrobenzene to aniline is observed over these Pd-coated Ni particles at 27degreesC under one atmospheric pressure of hydrogen. 0.5 and 1 at% Pd-coated Ni exhibits 10 times greater activity than that of typical colloidal palladium and platinum catalysts and 2.5 times higher activity than commercial 5 wt% Pd/C.

Rayleigh-Benard convection during solidification of an eutectic solution cooled from the top

The interaction between laminar Rayleigh-Benard convection and directional solidification is studied for the case of an eutectic solution kept in a rectangular cavity cooled from the top. Experiments and numerical simulations are carried out using an NH4Cl-H2O solution as the model fluid. The flow is visualized using a sheet of laser light scattered by neutrally buoyant, hollow-glass spheres seeded in the fluid. The numerical modeling is performed using a pressure-based finite-volume method according to the SIMPLER algorithm. The present configuration enables us to visualize flow vortices in the presence of a continuously evolving solid/liquid interface. Clear visualization of the Rayleigh-Benard convective cells and their interaction with the solidification front are obtained. It is observed that the convective cells are characterized by zones of up-flow and down-flow, resulting in the development of a nonplanar interface. Because of the continuous advancement of the solid/liquid interface, the effective liquid height of the cavity keeps decreasing. Once the height of the fluid layer falls below a critical value, the convective cells become weaker and eventually die out, leading to the growth of a planar solidification front. Results of flow visualization and temperature measurement are compared with those from the numerical simulation, and a good agreement is found.

Seismic passive earth pressure coefficients using the method of characteristics

The method of characteristics was used to generate passive earth pressure coefficients for an inclined wall retaining cohesionless backfill material in the presence of pseudostatic horizontal earthquake body forces. The variation of the passive earth pressure coefficients K-pq and K-pgamma with changes in horizontal earthquake acceleration coefficient due to the components of soil unit weight and surcharge pressure, respectively, has been obtained; a closed-form solution for K-pq is also provided. The passive earth resistance has been found to decrease sharply with an increase in the magnitude of horizontal earthquake acceleration. The computed passive earth pressure coefficients were found to be the lowest when compared to all of the previous solutions available in the literature.

Simulation of the infrared spectra of thioacetamide by the extended molecular mechanics method

The infrared spectrum of the matrix-isolated species of thioacetamide has been simulated using the extended molecular mechanics method. The equilibrium structure, vibrational frequencies, dipole moment and infrared absorption intensities of thioacetamide have been calculated in good agreement with the experiment. The vibrational frequencies and infrared absorption intensities for the isotopic molecules (CH2CSNH2)-C-13, (CH3CSNH2)-N-15 and (CH2CSND2)-C-13 have also been calculated consistent with the experiment. The infrared spectra of the matrix isolated species of N- and C- deuterated isotopomers of thioacetamide, CH3CSND2 and CD3CSNH2 have also been simulated in satisfactory agreement with the experimental spectra.

Solid state structural and solution studies on the formation of a flexible cavity for anions by copper(I) and 1,2-bis(diphenylphosphino)ethane

Copper(l) complexes of 1,2-bis(diphenylphosphino)ethane (dppe) with a stoichiometry Cu-2(dppe)(3)(X)(2) [X- = CN- (1), SCN- (2), NO3- (3)] are obtained from direct reactions of CuX and dppe. The complexes are structurally and spectroscopically (NMR and IR) characterized. The structure of the [Cu-2(dPPe)(3)](2+) dication is similar to the structural motif observed in many other complexes with a chelating dppe and a bridging dppe connecting two copper centers. In complexes 1 -3, the anions are confined to the cavity formed by the phosphines which force a monodentate coordination mode despite the predominant bidentate/bridging character of the anions. The coordination angles rather than the thermochemical radii dictate the steric requirement of anions. While the solution behavior of 3, with nitrate, is similar to complexes studied earlier, complexes with pseudohalides exhibit new solution behavior. (C) 2002 Elsevier Science Ltd. All rights reserved.

An economical method for direct numerical simulation studies of transitional round jets

A pseudo-spectral method based on Fourier expansions in a Cartesian coordinate system is shown to be an economical method for direct numerical simulation studies of transitional round jets, Several characteristics of the solutions are presented to establish the validity of the solutions in spite of the unnatural choices. We show that neither periodicity, nor the use of a Cartesian system have adversely affected the simulations, Instead, there are benefits in terms of ease of computing and lack of the usual restrictions due to grid structure near the jet axis. By computing the simultaneous evolution of passive scalers, the process of reaction in round jet burners, between a fuel-laden jet and an ambient oxidizer, was also simulated. Some typical solutions are shown and then the results of analysis of these data are summarized. (C) 2001 Elsevier Science Ltd, All rights reserved.