Modeling of seepage flow through layered solis

A two-dimensional finite difference model, which solves mixed type of Richards' equation, whose non-linearity is dealt with modified Picard's iteration and strongly implicit procedure to solve the resulting equations, is presented. Modeling of seepage flow through heterogeneous soils, which is common in the field is addressed in the present study. The present model can be applied to both unsaturated and saturated soils and can handle very dry initial condition and steep wetting fronts. The model is validated by comparing experimental results reported in the literature. Newness of this two dimensional model is its application on layered soils with transient seepage face development, which has not been reported in the literature. Application of the two dimensional model for studying unconfined drainage due to sudden drop of water table at seepage face in layered soils is demonstrated. In the present work different sizes of rectangular flow domain with different types of layering are chosen. Sensitivity of seepage height due to problem dimension of layered system is studied. The effect of aspect ratio on seepage face development in case of the flow through layered soil media is demonstrated. The model is also applied to random heterogeneous soils in which the randomness of the model parameters is generated using the turning band technique. The results are discussed in terms of phreatic surface and seepage height development and also flux across the seepage face. Such accurate modeling of seepage face development and quantification of flux moving across the seepage face becomes important while modeling transport problems in variably saturated media.

Effect of capillarity and heterogeneity in the numerical modelling of multiphase flow of fluids in unsaturated porous medium

The multiphase flow of fluids in the unsaturated porous medium is considered as a three phase flow of water, NAPL, and air simultaneously in the porous medium. The adaptive solution fully implicit modified sequential method is used for the numerical modelling. The effect of capillarity and heterogeneity effect at the interface between the media is studied and it is observed that the interface criteria has to be taken into account for the correct prediction of NAPL migration especially in heterogeneous media. The modified Newton Raphson method is used for the linearization and Hestines and Steifel Conjugate Gradient method is used as the solver.

A coupled VOF-IBM-enthalpy approach for modeling motion and growth of equiaxed dendrites in a solidifying melt

A coupled methodology for simulating the simultaneous growth and motion of equiaxed dendrites in solidifying melts is presented. The model uses the volume-averaging principles and combines the features of the enthalpy method for modeling growth, immersed boundary method for handling the rigid solid-liquid interfaces, and the volume of fluid method for tracking the advection of the dendrite. The algorithm also performs explicit-implicit coupling between the techniques used. A two-dimensional framework with incompressible and Newtonian fluid is considered. Validation with available literature is performed and dendrite growth in the presence of rotational and buoyancy driven flow fields is studied. It is seen that the flow fields significantly alter the position and morphology of the dendrites. (C) 2012 Elsevier Inc. All rights reserved.

On maximum entropy and minimum KL-divergence optimization by Grobner basis methods

In this paper we study constrained maximum entropy and minimum divergence optimization problems, in the cases where integer valued sufficient statistics exists, using tools from computational commutative algebra. We show that the estimation of parametric statistical models in this case can be transformed to solving a system of polynomial equations. We give an implicit description of maximum entropy models by embedding them in algebraic varieties for which we give a Grobner basis method to compute it. In the cases of minimum KL-divergence models we show that implicitization preserves specialization of prior distribution. This result leads us to a Grobner basis method to embed minimum KL-divergence models in algebraic varieties. (C) 2012 Elsevier Inc. All rights reserved.

Local Structural Differences in Homologous Proteins: Specificities in Different SCOP Classes

The constant increase in the number of solved protein structures is of great help in understanding the basic principles behind protein folding and evolution. 3-D structural knowledge is valuable in designing and developing methods for comparison, modelling and prediction of protein structures. These approaches for structure analysis can be directly implicated in studying protein function and for drug design. The backbone of a protein structure favours certain local conformations which include alpha-helices, beta-strands and turns. Libraries of limited number of local conformations (Structural Alphabets) were developed in the past to obtain a useful categorization of backbone conformation. Protein Block (PB) is one such Structural Alphabet that gave a reasonable structure approximation of 0.42 angstrom. In this study, we use PB description of local structures to analyse conformations that are preferred sites for structural variations and insertions, among group of related folds. This knowledge can be utilized in improving tools for structure comparison that work by analysing local structure similarities. Conformational differences between homologous proteins are known to occur often in the regions comprising turns and loops. Interestingly, these differences are found to have specific preferences depending upon the structural classes of proteins. Such class-specific preferences are mainly seen in the all-beta class with changes involving short helical conformations and hairpin turns. A test carried out on a benchmark dataset also indicates that the use of knowledge on the class specific variations can improve the performance of a PB based structure comparison approach. The preference for the indel sites also seem to be confined to a few backbone conformations involving beta-turns and helix C-caps. These are mainly associated with short loops joining the regular secondary structures that mediate a reversal in the chain direction. Rare beta-turns of type I' and II' are also identified as preferred sites for insertions.

Simultaneous Detection of Two Triplets: A Time-Resolved Resonance Raman Study

Solvents are known to affect the triplet state structure and reactivity. In this paper, we have employed time-resolved resonance Raman (TR3) spectroscopy to understand solvent-induced subtle structural changes in the lowest excited triplet state of thioxanthone. Density functional theory (DFT) combined with the self-consistent reaction field (SCRF) implicit solvation model has been used to calculate the vibrational frequencies in the solvents. Here, we report a unique observation of the coexistence of two triplets, which has been substantiated by the probe wavelength-dependent Raman experiments. The coexistence of two triplets has been further supported by photoreduction experiments carried out at various temperatures.

Temporal Moments for Reactive Transport through Fractured Impermeable/Permeable Formations

The transport of reactive solutes through fractured porous formations has been analyzed. The transport through the porous block is represented by a general multiprocess nonequilibrium equation (MPNE), which, for the fracture, is represented by an advection-dispersion equation with linear equilibrium sorption and first-order transformation. An implicit finite-difference technique has been used to solve the two coupled equations. The transport characteristics have been analyzed in terms of zeroth, first, and second temporal moments of the solute in the fracture. The solute behavior for fractured impermeable and fractured permeable formations are first compared and the effects of various fracture and matrix transport parameters are analyzed. Subsequently, the transport through a fractured permeable formation is analyzed to ascertain the effect of equilibrium sorption, rate-limited sorption, and the multiprocess nonequilibrium transport process. It was found that the temporal moments were nearly identical for the fractured impermeable and permeable formations when both the diffusion coefficient and the first-order transformation coefficient were relatively large. The multiprocess nonequilibrium model resulted in a smaller mass recovery in the fracture and higher dispersion than the equilibrium and rate-limited sorption models. DOI: 10.1061/(ASCE)HE.19435584.0000586. (C) 2012 American Society of Civil Engineers.

MAPS: midline analysis and propagation of segmentation

Scenic word images undergo degradations due to motion blur, uneven illumination, shadows and defocussing, which lead to difficulty in segmentation. As a result, the recognition results reported on the scenic word image datasets of ICDAR have been low. We introduce a novel technique, where we choose the middle row of the image as a sub-image and segment it first. Then, the labels from this segmented sub-image are used to propagate labels to other pixels in the image. This approach, which is unique and distinct from the existing methods, results in improved segmentation. Bayesian classification and Max-flow methods have been independently used for label propagation. This midline based approach limits the impact of degradations that happens to the image. The segmented text image is recognized using the trial version of Omnipage OCR. We have tested our method on ICDAR 2003 and ICDAR 2011 datasets. Our word recognition results of 64.5% and 71.6% are better than those of methods in the literature and also methods that competed in the Robust reading competition. Our method makes an implicit assumption that degradation is not present in the middle row.

Penetrative phototactic bioconvection in an isotropic scattering suspension

Phototaxis is a directed swimming response dependent upon the light intensity sensed by micro-organisms. Positive (negative) phototaxis denotes the motion directed towards (away from) the source of light. Using the phototaxis model of Ghorai, Panda, and Hill ''Bioconvection in a suspension of isotropically scattering phototactic algae,'' Phys. Fluids 22, 071901 (2010)], we investigate two-dimensional phototactic bioconvection in an absorbing and isotropic scattering suspension in the nonlinear regime. The suspension is confined by a rigid bottom boundary, and stress-free top and lateral boundaries. The governing equations for phototactic bioconvection consist of Navier-Stokes equations for an incompressible fluid coupled with a conservation equation for micro-organisms and the radiative transfer equation for light transport. The governing system is solved efficiently using a semi-implicit second-order accurate conservative finite-difference method. The radiative transfer equation is solved by the finite volume method using a suitable step scheme. The resulting bioconvective patterns differ qualitatively from those found by Ghorai and Hill ''Penetrative phototactic bioconvection,'' Phys. Fluids 17, 074101 (2005)] at a higher critical wavelength due to the effects of scattering. The solutions show transition from steady state to periodic oscillations as the governing parameters are varied. Also, we notice the accumulation of micro-organisms in two horizontal layers at two different depths via their mean swimming orientation profile for some governing parameters at a higher scattering albedo. (C) 2013 AIP Publishing LLC.

Exponential compact higher order scheme and their stability analysis for unsteady convection-diffusion equations

Exponential compact higher-order schemes have been developed for unsteady convection-diffusion equation (CDE). One of the developed scheme is sixth-order accurate which is conditionally stable for the Peclet number 0 <= Pe <= 2.8 and the other is fourth-order accurate which is unconditionally stable. Schemes for two-dimensional (2D) problems are made to use alternate direction implicit (ADI) algorithm. Example problems are solved and the numerical solutions are compared with the analytical solutions for each case.

An enthalpy-based model of dendritic growth in a convecting binary alloy melt

Purpose-In the present work, a numerical method, based on the well established enthalpy technique, is developed to simulate the growth of binary alloy equiaxed dendrites in presence of melt convection. The paper aims to discuss these issues. Design/methodology/approach-The principle of volume-averaging is used to formulate the governing equations (mass, momentum, energy and species conservation) which are solved using a coupled explicit-implicit method. The velocity and pressure fields are obtained using a fully implicit finite volume approach whereas the energy and species conservation equations are solved explicitly to obtain the enthalpy and solute concentration fields. As a model problem, simulation of the growth of a single crystal in a two-dimensional cavity filled with an undercooled melt is performed. Findings-Comparison of the simulation results with available solutions obtained using level set method and the phase field method shows good agreement. The effects of melt flow on dendrite growth rate and solute distribution along the solid-liquid interface are studied. A faster growth rate of the upstream dendrite arm in case of binary alloys is observed, which can be attributed to the enhanced heat transfer due to convection as well as lower solute pile-up at the solid-liquid interface. Subsequently, the influence of thermal and solutal Peclet number and undercooling on the dendrite tip velocity is investigated. Originality/value-As the present enthalpy based microscopic solidification model with melt convection is based on a framework similar to popularly used enthalpy models at the macroscopic scale, it lays the foundation to develop effective multiscale solidification.

A Protocol for Authentication with Multiple Levels of Anonymity (AMLA) in VANETs

The basic requirements for secure communication in a vehicular ad hoc network (VANET) are anonymous authentication with source non-repudiation and integrity. The existing security protocols in VANETs do not differentiate between the anonymity requirements of different vehicles and the level of anonymity provided by these protocols is the same for all the vehicles in a network. To provide high level of anonymity, the resource requirements of security protocol would also be high. Hence, in a resource constrained VANET, it is necessary to differentiate between the anonymity requirements of different vehicles and to provide the level of anonymity to a vehicle as per its requirement. In this paper, we have proposed a novel protocol for authentication which can provide multiple levels of anonymity in VANETs. The protocol makes use of identity based signature mechanism and pseudonyms to implement anonymous authentication with source non-repudiation and integrity. By controlling the number of pseudonyms issued to a vehicle and the lifetime of each pseudonym for a vehicle, the protocol is able to control the level of anonymity provided to a vehicle. In addition, the protocol includes a novel pseudonym issuance policy using which the protocol can ensure the uniqueness of a newly generated pseudonym by checking only a very small subset of the set of pseudonyms previously issued to all the vehicles. The protocol cryptographically binds an expiry date to each pseudonym, and in this way, enforces an implicit revocation for the pseudonyms. Analytical and simulation results confirm the effectiveness of the proposed protocol.

Solvent-induced changes on the polarity of the triplet excited state of 2-chlorothioxanthone: From time-resolved absorption and resonance Raman spectroscopies

Solvent polarity has been known to influence the triplet state structure and reactivity. Here, we present our experimental and theoretical study on the effect of solvent on the lowest triplet excited state structure of 2-chlorothioxanthone (CTX). Time-resolved absorption (TA) spectroscopy has been employed to understand the triplet state electronic structure; whereas solvent-induced structural changes have been studied using time-resolved resonance Raman (TR3) spectroscopy. Both the DFT and TD-DFT calculations have been performed in the solution phase employing self-consistent reaction field implicit solvation model to support the experimental data. It has been observed that CO stretching frequencies of the excited triplet state are sensitive to the solvent polarity and increase with the increase in the solvent polarity. Both TA and TR3 studies reveal that specific solvent effect (H-bonding) is more pronounced in comparison to the nonspecific solvent effect. (C) 2013 Elsevier B.V. All rights reserved.

Evaluation of the accuracy of an impact load cell using lumped parameter modeling and analysis

The objective of the current study is to evaluate the fidelity of load cell reading during impact testing in a drop-weight impactor using lumped parameter modeling. For the most common configuration of a moving impactor-load cell system in which dynamic load is transferred from the impactor head to the load cell, a quantitative assessment is made of the possible discrepancy that can result in load cell response. A 3-DOF (degrees-of-freedom) LPM (lumped parameter model) is considered to represent a given impact testing set-up. In this model, a test specimen in the form of a steel hat section similar to front rails of cars is represented by a nonlinear spring while the load cell is assumed to behave in a linear manner due to its high stiffness. Assuming a given load-displacement response obtained in an actual test as the true behavior of the specimen, the numerical solution of the governing differential equations following an implicit time integration scheme is shown to yield an excellent reproduction of the mechanical behavior of the specimen thereby confirming the accuracy of the numerical approach. The spring representing the load cell, however,predicts a response that qualitatively matches the assumed load-displacement response of the test specimen with a perceptibly lower magnitude of load.

An enthalpy method for modeling eutectic solidification

This paper presents a new micro-scale model for solidification of eutectic alloys. The model is based on the enthalpy method and simulates the growth of adjacent alpha and beta phases from a melt of eutectic composition in a two-dimensional Eulerian framework. The evolution of the two phases is obtained from the solution of volume averaged energy and species transport equations which are formulated using the nodal enthalpy and concentration potential values. The three phases are tracked using the beta-phase fraction and the liquid fraction values in all the computational nodes. Solutal convection flow field in the domain is obtained from the solution of volume-averaged momentum and continuity equations. The governing equations are solved using a coupled explicit-implicit scheme. The model is qualitatively validated with Jackson-Hunt theory. Results show expected eutectic growth pattern and proper species transfer and diffusion field ahead of the interface. Capabilities of the model such as lamella width selection, division of lamella into thinner lamellae and the presence of solutal convection are successfully demonstrated. The present model can potentially be incorporated into the existing framework of enthalpy based micro-scale dendritic solidification models thus leading to an efficient generalized microstructure evolution model. (C) 2014 Elsevier Inc. All rights reserved.