Electronic-structures of h2o.bf3 and related n-v addition-compounds - a combined eels-ups study in vapor-phase

The detailed electronic structure of the n-v addition compound H2O·BF3 has been investigated for the first time by a combined use of electron energy loss spectroscopy (EELS) and UV photoelectron spectroscopy (UPS) augmented by MO calculations. The calculated molecular orbital energies of H2O·BF3 agree well with the UPS results and have been used to assign the electronic transitions obtained from EELS and to construct an orbital correlation diagram. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

Natural convection from a vertical cone in a porous medium due to the combined effects of heat and mass diffusion with non-uniform wall temperature/concentration or heat/mass flux and suction/injection

An analysis has been carried out to study the non-Darcy natural convention flow of Newtonian fluids on a vertical cone embedded in a saturated porous medium with power-law variation of the wall temperature/concentration or heat/mass flux and suction/injection with the streamwise distance x. Both non-similar and self-similar solutions have been obtained. The effects of non-Darcy parameter, ratio of the buoyancy forces due to mass and heat diffusion, variation of wall temperature/concentration or heat/mass flux and suction/injection on the Nusselt and Sherwood numbers have been studied.

Combined Use of Solid of Revolution, Thin Shell, and Interphase Elements for Analysis of Cylindrical Shells

Near the boundaries of shells, thin shell theories cannot always provide a satisfactory description of the kinematic situation. This imposes severe limitations on simulating the boundary conditions in theoretical shell models. Here an attempt is made to overcome the above limitation. Three-dimensional theory of elasticity is used near boundaries, while thin shell theory covers the major part of the shell away from the boundaries. Both regions are connected by means of an “interphase element.” This method is used to study typical static stress and natural vibration problems

Formal description, compression and transformation of digital pictures II. Picture algebra and geometry

In an earlier paper (Part I) we described the construction of Hermite code for multiple grey-level pictures using the concepts of vector spaces over Galois Fields. In this paper a new algebra is worked out for Hermite codes to devise algorithms for various transformations such as translation, reflection, rotation, expansion and replication of the original picture. Also other operations such as concatenation, complementation, superposition, Jordan-sum and selective segmentation are considered. It is shown that the Hermite code of a picture is very powerful and serves as a mathematical signature of the picture. The Hermite code will have extensive applications in picture processing, pattern recognition and artificial intelligence.

Formal description, compression and transformation of digital pictures

This paper describes the application of vector spaces over Galois fields, for obtaining a formal description of a picture in the form of a very compact, non-redundant, unique syntactic code. Two different methods of encoding are described. Both these methods consist in identifying the given picture as a matrix (called picture matrix) over a finite field. In the first method, the eigenvalues and eigenvectors of this matrix are obtained. The eigenvector expansion theorem is then used to reconstruct the original matrix. If several of the eigenvalues happen to be zero this scheme results in a considerable compression. In the second method, the picture matrix is reduced to a primitive diagonal form (Hermite canonical form) by elementary row and column transformations. These sequences of elementary transformations constitute a unique and unambiguous syntactic code-called Hermite code—for reconstructing the picture from the primitive diagonal matrix. A good compression of the picture results, if the rank of the matrix is considerably lower than its order. An important aspect of this code is that it preserves the neighbourhood relations in the picture and the primitive remains invariant under translation, rotation, reflection, enlargement and replication. It is also possible to derive the codes for these transformed pictures from the Hermite code of the original picture by simple algebraic manipulation. This code will find extensive applications in picture compression, storage, retrieval, transmission and in designing pattern recognition and artificial intelligence systems.

Running-in wear of a compression ignition engine: Factors influencing the conformance between cylinder liner and piston rings

The conformance between the liner and rings of an internal combustion engine depends mainly on their linear wear (dimensional loss) during running-in. Running-in wear studies, using the factorial design of experiments, on a compression ignition engine show that at certain dead centre locations of piston rings the linear wear of the cylinder liner increases with increase in the initial surface roughness of the liner. Rough surfaces wear rapidly without seizure during running-in to promote quick conformance, so an initial surface finish of the liner of 0.8 μm c.l.a. is recommended. The linear wear of the cast iron liner and rings decreases with increasing load but the mass wear increases with increasing load. This discrepancy is due to phase changes in the cast iron accompanied by dimensional growth at higher thermal loads. During running-in the growth of cast iron should be minimised by running the engine at an initial load for which the exhaust gas temperature is approximately 180 °C.

Post-liquefaction undrained monotonic behaviour of sands: experiments and DEM simulations

This paper presents the results of a series of servo-controlled cyclic triaxial tests and numerical simulations using the three- dimensional discrete element method (DEM) on post-liquefaction undrained monotonic strength of granular materials. In a first test series,undrained monotonic tests were carried out after dissipating the excess pore water pressure developed during liquefaction. The influence of different parameters such as amplitude of axial strain,relative density and confining pressure prior to liquefaction on the post-liquefaction undrained response have been investigated.The results obtained highlight an insignificant influence of amplitude of axial strain, confining pressure and a significant influence of relative density on the post-liquefaction undrained monotonic stress-strain response.In the second series, undrained monotonic tests were carried out on similar triaxial samples without dissipating the excess pore water pressure developed during liquefaction. The results highlight that the amplitude of axial strain prior to liquefaction has a significant influence on the post-liquefaction undrained monotonic response.In addition,DEM simulations have been carried out on an assembly of spheres to simulate post-liquefaction behaviour.The simulations were very similar to the experiments with an objective to understand the behaviour of monotonic strength of liquefied samples from the grain scale. The numerical simulations using DEM have captured qualitatively all the features of the post-liquefaction undrained monotonic response in a manner similar to that of the experiments.In addition,a detailed study on the evolution of micromechanical parameters such as the average coordination number and induced anisotropic coefficients has been reported during the post-liquefaction undrained monotonic loading.

A study of the electronic structures of n---v addition compounds of BH3 by a combined use of ups and eels

Orbital energies and electronic transition energies of BH3·H2S and BH3·CO obtained from ultraviolet (HeI) photoelectron spectroscopy and electron energy loss spectroscopy are discussed in the light of quantum mechanical calculations. BH3·H2O has been characterized, for the first time, by means of the HeI spectrum and the ionization energies assigned to the various orbitals based on calculations.

A numerical study of laminar axisymmetric plumes due to the combined buoyancy of heat and mass diffusion

This paper presents the results of a computational study of laminar axisymmetric plumes generated by the simultaneous diffusion of thermal energy and chemical species. Species concentrations are assumed small. The plume is treated as a boundary layer. Boussinesq approximations are incorporated and the governing conservation equations of mass, momentum, energy and species are suitably non-dimensionalised. These equations are solved using one time-step-forward explicit finite-difference method. Upwind differencing is employed for convective terms. The results thus obtained are explained in terms of the basic physical mechanisms that govern these flows. They show many interesting aspects of the complex interaction of the two buoyant mechanisms.

Analysis of edge delaminations in laminates through combined use of quasi-three-dimensional, eight-noded, two-noded and transition elements

The use of appropriate finite elements in different regions of a stressed solid can be expected to be economical in computing its stress response. This concept is exploited here in studying stresses near free edges in laminated coupons. The well known free edge problem of [0/90], symmetric laminate is considered to illustrate the application of the concept. The laminate is modelled as a combination of three distinct regions. Quasi-three-dimensional eight-noded quadrilateral isoparametric elements (Q3D8) are used at and near the free edge of the laminate and two-noded line elements (Q3D2) are used in the region away from the free edge. A transition element (Q3DT) provides a smooth inter-phase zone between the two regions. Significant reduction in the problem size and hence in the computational time and cost have been achieved at almost no loss of accuracy.

Wavelet based compression and denoising of optical tomography data

Two methods based on wavelet/wavelet packet expansion to denoise and compress optical tomography data containing scattered noise are presented, In the first, the wavelet expansion coefficients of noisy data are shrunk using a soft threshold. In the second, the data are expanded into a wavelet packet tree upon which a best basis search is done. The resulting coefficients are truncated on the basis of energy content. It can be seen that the first method results in efficient denoising of experimental data when scattering particle density in the medium surrounding the object was up to 12.0 x 10(6) per cm(3). This method achieves a compression ratio of approximate to 8:1. The wavelet packet based method resulted in a compression of up to 11:1 and also exhibited reasonable noise reduction capability. Tomographic reconstructions obtained from denoised data are presented. (C) 1999 Published by Elsevier Science B.V. All rights reserved,

A kinetic study of the phase transformations in Al2O3 and Na2O · 6Al2O3 by a combined use of 27Al MAS NMR spectroscopy and x-ray diffraction: Importance of nucleation

Phase transformations of Al2O3 and Na2O · 6Al2O3 prepared by the gel route have been investigated for the first time by 27Al MAS NMR spectroscopy in combination with x-ray diffraction. Of particular interest in the study is the kinetics of the γ → α and γ → β transformations, respectively, in these two systems. Analysis of the kinetic data shows the important role of nucleation in both these transformations.

Unsteady free convection flow over an infinite vertical porous plate due to the combined effects of thermal and mass diffusion, magnetic field and Hall currents

The unsteady free convection flow over an infinite vertical porous plate, which moves with time-dependent velocity in an ambient fluid, has been studied. The effects of the magnetic field and Hall current are included in the analysis. The buoyancy forces arise due to both the thermal and mass diffusion. The partial differential equations governing the flow have been solved numerically using both the implicit finite difference scheme and the difference-differential method. For the steady case, analytical solutions have also been obtained. The effect of time variation on the skin friction, heat transfer and mass transfer is very significant. Suction increases the skin friction coefficient in the primary flow, and also the Nusselt and Sherwood numbers, but the skin friction coefficient in the secondary flow is reduced. The effect of injection is opposite to that of suction. The buoyancy force, injection and the Hall parameter induce an overshoot in the velocity profiles in the primary flow which changes the velocity gradient from a negative to a positive value, but the magnetic field and suction reduce this velocity overshoot.

Plane wave analysis of rectangular axial-inlet, axial-outlet and transverse-inlet, transverse-outlet air cleaners

In this work, one-dimensional flow-acoustic analysis of two basic configurations of air cleaners, (i) Rectangular Axial-Inlet, Axial-Outlet (RAIAO) and (ii) Rectangular Transverse-Inlet, Transverse-Outlet (RTITO), has been presented. This 1-D analytical approach has been verified with the help of 3-D FEM based software. Through subtraction of the acoustic performance of the bare plenum (without filter element) from that of the complete air cleaner box, the solitary performance of the filter element has been evaluated. Part of the present analysis illustrates that the analytical formulation remains effective even with offset positioning of the air pipes from the centre of the cross section of the air cleaner. The 1-D analytical tool computes much faster than its 3-D simulation counterpart. The present analysis not only predicts the acoustical impact of mean flow, but it also depicts the scenario with increased resistance of the filter element. Thus, the proposed 1-D analysis would help in the design of acoustically efficient air cleaners for automotive applications. (C) 2011 Institute of Noise Control Engineering.

Binding of BIS like and other ligands with the GSK-3 beta kinase: a combined docking and MM-PBSA study

Binding of several bisindolylmaleimide (BIS) like (BIS-3, BIS-8 and UCN1) and other ligands (H89, SB203580 and Y27632) with the glycogen synthase kinase-3 (GSK-3 beta) has been studied using combined docking, molecular dynamics and Poisson-Boltzmann surface area analysis approaches. The study generated novel binding modes of these ligands that can rationalize why some ligands inhibit GSK-3 beta while others do not. The relative binding free energies associated with these binding modes are in agreement with the corresponding measured specificities. This study further provides useful insight regarding possible existence of multiple conformations of some ligands like H89 and BIS-8. It is also found that binding modes of BIS-3, BIS-8 and UCN1 with GSK-3 beta and PDK1 kinases are similar. These new insights are expected to be useful for future rational design of novel, more potent GSK-3 beta-specific inhibitors as promising therapeutics.