A waveguide problem involving a thick iris in the theory of electromagnetism

The problem of electromagnetic wave propagation in a rectangular waveguide containing a thick iris is considered for its complete solution by reducing it to two suitable integral equations, one of which is of the first kind and the other is of the second kind. These integral equations are solved approximately, by using truncated Fourier series for the unknown functions. The reflection coefficient is computed numerically from the two integral equation approaches, and almost the same numerical results are obtained. This is also depicted graphically against the wave number and compared with thin iris results, which are computed by using complementary formulations coupled with Galerkin approximations. While the reflection coefficient for a thin iris steadily increases with the wave number, for a thick iris it fluctuates and zero reflection occurs. The number of zeros of the reflection coefficient for a thick iris increases with the thickness. Thus a thick iris becomes completely transparent for some discrete wave numbers. This phenomenon may be significant in the modelling of rectangular waveguides.

Numerical Modelling of the Observed Diurnal Cycle of Indian Monsoon Rainfall

We have analysed the diurnal cycle of rainfall over the Indian region (10S-35N, 60E-100E) using both satellite and in-situ data, and found many interesting features associated with this fundamental, yet under-explored, mode of variability. Since there is a distinct and strong diurnal mode of variability associated with the Indian summer monsoon rainfall, we evaluate the ability of the Weather Research and Forecasting Model (WRF) to simulate the observed diurnal rainfall characteristics. The model (at 54km grid-spacing) is integrated for the month of July, 2006, since this period was particularly favourable for the study of diurnal cycle. We first evaluate the sensitivity of the model to the prescribed sea surface temperature (SST), by using two different SST datasets, namely, Final Analyses (FNL) and Real-time Global (RTG). It was found that with RTG SST the rainfall simulation over central India (CI) was significantly better than that with FNL. On the other hand, over the Bay of Bengal (BoB), rainfall simulated with FNL was marginally better than with RTG. However, the overall performance of RTG SST was found to be better than FNL, and hence it was used for further model simulations. Next, we investigated the role of the convective parameterization scheme on the simulation of diurnal cycle of rainfall. We found that the Kain-Fritsch (KF) scheme performs significantly better than Betts-Miller-Janjić (BMJ) and Grell-Devenyi schemes. We also studied the impact of other physical parameterizations, namely, microphysics, boundary layer, land surface, and the radiation parameterization, on the simulation of diurnal cycle of rainfall, and identified the “best” model configuration. We used this configuration of the “best” model to perform a sensitivity study on the role of various convective components used in the KF scheme. In particular, we studied the role of convective downdrafts, convective timescale, and feedback fraction, on the simulated diurnal cycle of rainfall. The “best” model simulations, in general, show a good agreement with observations. Specifically, (i) Over CI, the simulated diurnal rainfall peak is at 1430 IST, in comparison to the observed 1430-1730 IST peak; (ii) Over Western Ghats and Burmese mountains, the model simulates a diurnal rainfall peak at 1430 IST, as opposed to the observed peak of 1430-1730 IST; (iii) Over Sumatra, both model and observations show a diurnal peak at 1730 IST; (iv) The observed southward propagating diurnal rainfall bands over BoB are weakly simulated by WRF. Besides the diurnal cycle of rainfall, the mean spatial pattern of total rainfall and its partitioning between the convective and stratiform components, are also well simulated. The “best” model configuration was used to conduct two nested simulations with one-way, three-level nesting (54-18-6km) over CI and BoB. While, the 54km and 18km simulations were conducted for the whole of July, 2006, the 6km simulation was carried out for the period 18 - 24 July, 2006. The results of our coarse- and fine-scale numerical simulations of the diurnal cycle of monsoon rainfall will be discussed.

Doubly spectral stochastic finite element method (DSSFEM) for random field problems

Uncertainties in complex dynamic systems play an important role in the prediction of a dynamic response in the mid- and high-frequency ranges. For distributed parameter systems, parametric uncertainties can be represented by random fields leading to stochastic partial differential equations. Over the past two decades, the spectral stochastic finite-element method has been developed to discretize the random fields and solve such problems. On the other hand, for deterministic distributed parameter linear dynamic systems, the spectral finite-element method has been developed to efficiently solve the problem in the frequency domain. In spite of the fact that both approaches use spectral decomposition (one for the random fields and the other for the dynamic displacement fields), very little overlap between them has been reported in literature. In this paper, these two spectral techniques are unified with the aim that the unified approach would outperform any of the spectral methods considered on their own. An exponential autocorrelation function for the random fields, a frequency-dependent stochastic element stiffness, and mass matrices are derived for the axial and bending vibration of rods. Closed-form exact expressions are derived by using the Karhunen-Loève expansion. Numerical examples are given to illustrate the unified spectral approach.

Numerical modeling of the contaminant Transport through stratified soil

The transport processes of the dissolved chemicals in stratified or layered soils have been studied for several decades. In case of the solute transport through stratified layers, interface condition plays an important role in determining appropriate transport parameters. First‐ type and third‐ type interface conditions are generally used in the literature. A first‐type interface condition will result in a continuous concentration profile across the interface at the expense of solute mass balance. On the other hand, a discontinuity in concentration develops when a third‐ type interface condition is used. To overcome this problem, a combined first‐ and third‐ type condition at the interface has been widely employed which yields second‐ type condition. This results in a similar break‐through curve irrespective of the layering order, which is non‐physical. In this work, an interface condition is proposed which satisfies the mass balance implicitly and brings the distinction between the breakthrough curves for different layering sequence corroborating with the experimental observations. This is in disagreement with the earlier work by H. M. Selim and co‐workers but, well agreement with the hypothetical result by Bosma and van der Zee; and Van der Zee.

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.

A numerical study of variable coefficient elliptic Cauchy problem via projection method

In this paper, we investigate a numerical method for the solution of an inverse problem of recovering lacking data on some part of the boundary of a domain from the Cauchy data on other part for a variable coefficient elliptic Cauchy problem. In the process, the Cauchy problem is transformed into the problem of solving a compact linear operator equation. As a remedy to the ill-posedness of the problem, we use a projection method which allows regularization solely by discretization. The discretization level plays the role of regularization parameter in the case of projection method. The balancing principle is used for the choice of an appropriate discretization level. Several numerical examples show that the method produces a stable good approximate solution.

Elasto-plastic analysis of jointed rocks using discrete continuum and equivalent continuum approaches

Results from elasto-plastic numerical simulations of jointed rocks using both the equivalent continuum and discrete continuum approaches are presented, and are compared with experimental measurements. Initially triaxial compression tests on different types of rocks with wide variation in the uniaxial compressive strength are simulated using both the approaches and the results are compared. The applicability and relative merits and limitations of both the approaches for the simulation of jointed rocks are discussed. It is observed that both the approaches are reasonably good in predicting the real response. However, the equivalent continuum approach has predicted somewhat higher stiffness values at low strains. Considering the modelling effort involved in case of discrete continuum approach, for problems with complex geometry, it is suggested that a proper equivalent continuum model can be used, without compromising much on the accuracy of the results. Then the numerical analysis of a tunnel in Japan is taken up using the continuum approach. The deformations predicted are compared well against the field measurements and the predictions from discontinuum analysis. (C) 2012 Elsevier Ltd. All rights reserved.

Numerical analysis on thermoacoustic prime movers for development of pulse tube cryocoolers

Thermo Acoustic Prime Movers (TAPMs) are being considered as the ideal choice for driving the Pulse Tube Cryocoolers replacing the conventional compressors. The advantages are the absence of moving components and they can be driven by low grade energy as such as fuel, gas, solar energy, waste heat etc. While the development of such TAPMs is in progress in our laboratory, their design and fabrication should be guided by numerical modeling and this may be done by several methods such as solving the energy equation 1], enthalpy flow model 2], CFD 3], etc. We have used CFD technique, since it provides a better insight into the velocity and temperature profiles. The analysis is carried out by varying parameters such as (a) temperature difference across the stack, (b) stack and resonator lengths and (c) different working fluids such as air, nitrogen, argon etc. The theoretical results are compared with the experimental data wherever possible and they are in reasonably good agreement with each other. The analysis indicate that (i) larger temperature difference across the stack leads to increased acoustic amplitude, (ii) longer resonator leads to decrease in frequency with lesser amplitude and (iii) there exists an optimal stack length for the best performance of TAPM. These results are presented here.

A numerical approach to determine the sufficiency of given boundary data sets for uniquely estimating interior elastic properties

We consider an inverse elasticity problem in which forces and displacements are known on the boundary and the material property distribution inside the body is to be found. In other words, we need to estimate the distribution of constitutive properties using the finite boundary data sets. Uniqueness of the solution to this problem is proved in the literature only under certain assumptions for a given complete Dirichlet-to-Neumann map. Another complication in the numerical solution of this problem is that the number of boundary data sets needed to establish uniqueness is not known even under the restricted cases where uniqueness is proved theoretically. In this paper, we present a numerical technique that can assess the sufficiency of given boundary data sets by computing the rank of a sensitivity matrix that arises in the Gauss-Newton method used to solve the problem. Numerical experiments are presented to illustrate the method.

Network approaches to drug discovery

Introduction: Advances in genomics technologies are providing a very large amount of data on genome-wide gene expression profiles, protein molecules and their interactions with other macromolecules and metabolites. Molecular interaction networks provide a useful way to capture this complex data and comprehend it. Networks are beginning to be used in drug discovery, in many steps of the modern discovery pipeline, with large-scale molecular networks being particularly useful for the understanding of the molecular basis of the disease. Areas covered: The authors discuss network approaches used for drug target discovery and lead identification in the drug discovery pipeline. By reconstructing networks of targets, drugs and drug candidates as well as gene expression profiles under normal and disease conditions, the paper illustrates how it is possible to find relationships between different diseases, find biomarkers, explore drug repurposing and study emergence of drug resistance. Furthermore, the authors also look at networks which address particular important aspects such as off-target effects, combination-targets, mechanism of drug action and drug safety. Expert opinion: The network approach represents another paradigm shift in drug discovery science. A network approach provides a fresh perspective of understanding important proteins in the context of their cellular environments, providing a rational basis for deriving useful strategies in drug design. Besides drug target identification and inferring mechanism of action, networks enable us to address new ideas that could prove to be extremely useful for new drug discovery, such as drug repositioning, drug synergy, polypharmacology and personalized medicine.

Interaction between a notch and cylindrical voids in aluminum single crystals: Experimental observations and numerical simulations

A combined 3D finite element simulation and experimental study of interaction between a notch and cylindrical voids ahead of it in single edge notch (tension) aluminum single crystal specimens is undertaken in this work. Two lattice orientations are considered in which the notch front is parallel to the crystallographic 10 (1) over bar] direction. The flat surface of the notch coincides with the (010) plane in one orientation and with the (1 (1) over bar1) plane in the other. Three equally spaced cylindrical voids are placed directly ahead of the notch tip. The predicted load-displacement curves, slip traces, lattice rotation and void growth from the finite element analysis are found to be in good agreement with the experimental observations for both the orientations. Finite element results show considerable through-thickness variation in both hydrostatic stress and equivalent plastic slip which, however, depends additionally on the lattice orientation. The through-thickness variation in the above quantities affects the void growth rate and causes it to differ from the center-plane to the free surface of the specimen. (c) 2012 Elsevier Ltd. All rights reserved.

Nanolipodendrosome-loaded glatiramer acetate and myogenic differentiation I as augmentation therapeutic strategy approaches in muscular dystrophy

Backgrond: Muscular dystrophies consist of a number of juvenile and adult forms of complex disorders which generally cause weakness or efficiency defects affecting skeletal muscles or, in some kinds, other types of tissues in all parts of the body are vastly affected. In previous studies, it was observed that along with muscular dystrophy, immune inflammation was caused by inflammatory cells invasion - like T lymphocyte markers (CD8+/CD4+). Inflammatory processes play a major part in muscular fibrosis in muscular dystrophy patients. Additionally, a significant decrease in amounts of two myogenic recovery factors (myogenic differentation 1 MyoD] and myogenin) in animal models was observed. The drug glatiramer acetate causes anti-inflammatory cytokines to increase and T helper (Th) cells to induce, in an as yet unknown mechanism. MyoD recovery activity in muscular cells justifies using it alongside this drug. Methods: In this study, a nanolipodendrosome carrier as a drug delivery system was designed. The purpose of the system was to maximize the delivery and efficiency of the two drug factors, MyoD and myogenin, and introduce them as novel therapeutic agents in muscular dystrophy phenotypic mice. The generation of new muscular cells was analyzed in SW1 mice. Then, immune system changes and probable side effects after injecting the nanodrug formulations were investigated. Results: The loaded lipodendrimer nanocarrier with the candidate drug, in comparison with the nandrolone control drug, caused a significant increase in muscular mass, a reduction in CD4+/CD8+ inflammation markers, and no significant toxicity was observed. The results support the hypothesis that the nanolipodendrimer containing the two candidate drugs will probably be an efficient means to ameliorate muscular degeneration, and warrants further investigation.

Numerical simulations of CO2 migration during charnockite genesis

Charnockite is considered to be generated either through the dehydration of granitic magma by CO2 purging or by solid-state dehydration through CO2 metasomatism during granulite facies metamorphism. To understand the extent of dehydration, CO2 migration is quantitatively modeled in silicate melt and metasomatic fluid as a function of temperature, H2O wt%, pressure, basal CO2 flux and dynamic viscosity. Numerical simulations show that CO2 advection through porous and permeable high-grade metamorphic rocks can generate dehydrated patches close to the CO2 flow path, as illustrated by the occurrences of ``incipient charnockites.'' CO2 reaction-front velocity constrained by field observations is 0.69 km/m.y., a reasonable value, which matches well with other studies. On the other hand, temperature, rate of cooling, and basal CO2 flux are the critical parameters affecting CO2 diffusion through a silicate melt. CO2 diffusion through silicate melt can only occur at temperature greater than 840 degrees C and during slow cooling (<= 3.7 x 10(-5) degrees C/yr), features that are typical of magma emplacement in the lower crust. Stalling of CO2 fluxing at similar to 840 degrees C explains why some deep-level plutons contain both hydrous and anhydrous (charnockitic) mineral assemblages. CO2 diffusion through silicate melt is virtually insensitive to pressure. Addition of CO2 basal flux facilitates episodic dehydrated melt migration by generating fracture pathways.

Analysis of composite single lap joints using numerical and experimental approach

Adhesives are widely used to execute the assembly of aerospace and automotive structures due to their ability to join dissimilar materials, reduced stress concentration, and improved fatigue resistance. The mechanical behavior of adhesive joints can be studied either using analytical models or by conducting mechanical tests. However, the complexity owing to multiple interfaces, layers with different properties, material and geometric nonlinearity and its three-dimensional nature combine to increase the difficulty in obtaining an overall system of governing equations to predict the joint behavior. On the other hand, experiments are often time consuming and expensive due to a number of parameters involved. Finite element analysis (FEA) is profoundly used in recent years to overcome these limitations. The work presented in this paper involves the finite element modeling and analysis of a composite single lap joint where the adhesive-adherend interface region was modeled using connector elements. The computed stresses were compared with the experimental stresses obtained using digital image correlation technique. The results showed an agreement. Further, the failure load predicted using FEA was found to be closer to the actual failure load obtained by mechanical tests.

Basis pursuit deconvolution for improving model-based reconstructed images in photoacoustic tomography

The model-based image reconstruction approaches in photoacoustic tomography have a distinct advantage compared to traditional analytical methods for cases where limited data is available. These methods typically deploy Tikhonov based regularization scheme to reconstruct the initial pressure from the boundary acoustic data. The model-resolution for these cases represents the blur induced by the regularization scheme. A method that utilizes this blurring model and performs the basis pursuit deconvolution to improve the quantitative accuracy of the reconstructed photoacoustic image is proposed and shown to be superior compared to other traditional methods via three numerical experiments. Moreover, this deconvolution including the building of an approximate blur matrix is achieved via the Lanczos bidagonalization (least-squares QR) making this approach attractive in real-time. (C) 2014 Optical Society of America