Characterization of Clean and Fouled Rail Track Ballast Subsurface Using Seismic Surface Survey Method: Model and Field Studies

The efficiency of track foundation material gradually decreases due to insufficient lateral confinement, ballast fouling, and loss of shear strength of the subsurface soil under cyclic loading. This paper presents characterization of rail track subsurface to identify ballast fouling and subsurface layers shear wave velocity using seismic survey. Seismic surface wave method of multi-channel analysis of surface wave (MASW) has been carried out in the model track and field track for finding out shear wave velocity of the clean and fouled ballast and track subsurface. The shear wave velocity (SWV) of fouled ballast increases with increase in fouling percentage, and reaches a maximum value and then decreases. This character is similar to typical compaction curve of soil, which is used to define optimum and critical fouling percentage (OFP and CFP). Critical fouling percentage of 15 % is noticed for Coal fouled ballast and 25 % is noticed for clayey sand fouled ballast. Coal fouled ballast reaches the OFP and CFP before clayey sand fouled ballast. Fouling of ballast reduces voids in ballast and there by decreases the drainage. Combined plot of permeability and SWV with percentage of fouling shows that after critical fouling point drainage condition of fouled ballast goes below acceptable limit. Shear wave velocities are measured in the selected location in the Wollongong field track by carrying out similar seismic survey. In-situ samples were collected and degrees of fouling were measured. Field SWV values are more than that of the model track SWV values for the same degree of fouling, which might be due to sleeper's confinement. This article also highlights the ballast gradation widely followed in different countries and presents the comparison of Indian ballast gradation with international gradation standards. Indian ballast contains a coarser particle size when compared to other countries. The upper limit of Indian gradation curve matches with lower limit of ballast gradation curves of America and Australia. The ballast gradation followed by Indian railways is poorly graded and more favorable for the drainage conditions. Indian ballast engineering needs extensive research to improve presents track conditions.

A simple numerical method for three-dimensional analysis of simple expansion chamber mufflers of rectangular as well as circular cross-section with a stationary medium

Three-dimensional effects are a primary source of discrepancy between the measured values of automotive muffler performance and those predicted by the plane wave theory at higher frequencies. The basically exact method of (truncated) eigenfunction expansions for simple expansion chambers involves very complicated algebra, and the numerical finite element method requires large computation time and core storage. A simple numerical method is presented in this paper. It makes use of compatibility conditions for acoustic pressure and particle velocity at a number of equally spaced points in the planes of the junctions (or area discontinuities) to generate the required number of algebraic equations for evaluation of the relative amplitudes of the various modes (eigenfunctions), the total number of which is proportional to the area ratio. The method is demonstrated for evaluation of the four-pole parameters of rigid-walled, simple expansion chambers of rectangular as well as circular cross-section for the case of a stationary medium. Computed values of transmission loss are compared with those computed by means of the plane wave theory, in order to highlight the onset (cutting-on) of various higher order modes and the effect thereof on transmission loss of the muffler. These are also compared with predictions of the finite element methods (FEM) and the exact methods involving eigenfunction expansions, in order to demonstrate the accuracy of the simple method presented here.

Real-time monitoring of critical nodes with minimal number of Phasor Measurement Units

This paper presents a method for placement of Phasor Measurement Units, ensuring the monitoring of vulnerable buses which are obtained based on transient stability analysis of the overall system. Real-time monitoring of phase angles across different nodes, which indicates the proximity to instability, the very purpose will be well defined if the PMUs are placed at buses which are more vulnerable. The issue is to identify the key buses where the PMUs should be placed when the transient stability prediction is taken into account considering various disturbances. Integer Linear Programming technique with equality and inequality constraints is used to find out the optimal placement set with key buses identified from transient stability analysis. Results on IEEE-14 bus system are presented to illustrate the proposed approach.

Synthesis and an Evaluation of Molecular Conformation and Crystal Packing in Two Substituted 4-Phenylquinolines

The title compounds, namely Methyl 2-methyl-4 -phenylquinoline-3-carboxylate (I), C18H15NO2, and (2E)-3-(3,4-dimethoxyphenyl)-1-(2-methyl-4 -phenylquinolin-3-yl)prop-2-en-1-one (II), C27H23NO3, comprising of the phenyl ring, exhibit differences in conformational behaviour with respect to the plane of the quinoline fragment. (I) contains the methyl ester moiety whereas (II) contains the chalcone fragment, consisting of a double bond and phenyl group containing dimethoxy groups as substituents. The dihedral angles between the phenyl group and the quinoline ring is 82.77 (7)A degrees in (I), and 79.02 (8)A degrees in (II) respectively. It is the weak C-H center dot center dot center dot O=C H-bond and C-H center dot center dot center dot pi interactions which dictate packing of molecules in (I). In (II), it is C-H center dot center dot center dot N and C-H center dot center dot center dot pi, involving the dimethoxy ring, which controls packing of molecules in the crystal lattice. In addition, pi center dot center dot center dot pi aromatic stacking interactions involving the quinoline fragment is present in all the molecules. The title compounds, namely methyl-2-methyl-4 -phenylquinoline-3-carboxylate (I), C18H15NO2, and (2E)-3-(3,4-dimethoxyphenyl)-1-(2-methyl-4 -phenylquinolin-3-yl)prop-2-en-1-one (II), C27H23NO3, comprising of the phenyl ring, exhibit differences in conformational behaviour with respect to the plane of the quinoline fragment. (I) contains the methyl ester moiety whereas (III) contains the chalcone fragment, consisting of a double bond and phenyl group containing dimethoxy groups as substituents. The dihedral angles between the phenyl group and the quinoline ring is 82.77 (7)A degrees in (I), and 79.02 (8)A degrees in (II) respectively. It is the weak C-H center dot center dot center dot O=C H-bond and C-H center dot center dot center dot pi interactions which dictate packing of molecules in (I). In (II), it is C-H center dot center dot center dot N and C-H center dot center dot center dot pi, involving the dimethoxy ring, which controls packing of molecules in the crystal lattice. In addition, pi center dot center dot center dot pi aromatic stacking interactions involving the quinoline fragment is present in all the molecules.

The Coil-to-Helix Transition in IlvN Regulates the Allosteric Control of Escherichia coli Acetohydroxyacid Synthase I

The solution structure of IlvN, the regulatory subunit of Escherichia coil acetohydroxyacid synthase I, in the valine-bound form has been determined using high-resolution multidimensional, multinuclear nuclear magnetic resonance (NMR) methods. IlvN in the presence or absence of the effector molecule is present as a 22.5 kDa dimeric molecule. The ensemble of 20 low-energy structures shows a backbone root-mean-square deviation of 0.73 +/- 0.13 angstrom and a root-mean-square deviation of 1.16 +/- 0.13 angstrom for all heavy atoms. Furthermore, more than 98% of the backbone phi and psi dihedral angles occupy the allowed and additionally allowed regions of the Ramachandran map, which is indicative of the fact that the structures are of high stereochemical quality. Each protomer exhibits a beta alpha beta beta alpha beta alpha topology that is a characteristic feature of the ACT domain seen in metabolic enzymes. In the valine-bound form, IlvN exists apparently as a single conformer. In the free form, IlvN exists as a mixture of conformational states that are in intermediate exchange on the NMR time scale. Thus, a large shift in the conformational equilibrium is observed upon going from the free form to the bound form. The structure of the valine-bound form of IlvN was found to be similar to that of the ACT domain of the unliganded form of IlvH. Comparisons of the structures of the unliganded forms of these proteins suggest significant differences. The structural and conformational properties of IlvN determined here have allowed a better understanding of the mechanism of regulation of branched chain amino acid biosynthesis.

Solution nuclear magnetic resonance structure of the GATase subunit and structural Basis of the interaction between GATase and ATPPase subunits in a two-subunit-type GMPS from methanocaldococcus jannaschii

The solution structure of the monomeric glutamine amidotransferase (GATase) subunit of the Methanocaldococcus janaschii (Mj) guanosine monophosphate synthetase (GMPS) has been determined using high-resolution nuclear magnetic resonance methods. Gel filtration chromatography and N-15 backbone relaxation studies have shown that the Mj GATase subunit is present in solution as a 21 kDa (188-residue) monomer. The ensemble of 20 lowest-energy structures showed root-mean-square deviations of 0.35 +/- 0.06 angstrom for backbone atoms and 0.8 +/- 0.06 angstrom for all heavy atoms. Furthermore, 99.4% of the backbone dihedral angles are present in the allowed region of the Ramachandran map, indicating the stereochemical quality of the structure. The core of the tertiary structure of the GATase is composed of a seven-stranded mixed beta-sheet that is fenced by five alpha-helices. The Mj GATase is similar in structure to the Pyrococcus horikoshi (Ph) GATase subunit. Nuclear magnetic resonance (NMR) chemical shift perturbations and changes in line width were monitored to identify residues on GATase that were responsible for interaction with magnesium and the ATPPase subunit, respectively. These interaction studies showed that a common surface exists for the metal ion binding as well as for the protein-protein interaction. The dissociation constant for the GATase-Mg2+ interaction has been found to be similar to 1 mM, which implies that interaction is very weak and falls in the fast chemical exchange regime. The GATase-ATPPase interaction, on the other hand, falls in the intermediate chemical exchange regime on the NMR time scale. The implication of this interaction in terms of the regulation of the GATase activity of holo GMPS is discussed.

Correlation between local structural dynamics of proteins inferred from NMR ensembles and evolutionary dynamics of homologues of known structure

Conformational changes in proteins are extremely important for their biochemical functions. Correlation between inherent conformational variations in a protein and conformational differences in its homologues of known structure is still unclear. In this study, we have used a structural alphabet called Protein Blocks (PBs). PBs are used to perform abstraction of protein 3-D structures into a 1-D strings of 16 alphabets (a-p) based on dihedral angles of overlapping pentapeptides. We have analyzed the variations in local conformations in terms of PBs represented in the ensembles of 801 protein structures determined using NMR spectroscopy. In the analysis of concatenated data over all the residues in all the NMR ensembles, we observe that the overall nature of inherent local structural variations in NMR ensembles is similar to the nature of local structural differences in homologous proteins with a high correlation coefficient of .94. High correlation at the alignment positions corresponding to helical and beta-sheet regions is only expected. However, the correlation coefficient by considering only the loop regions is also quite high (.91). Surprisingly, segregated position-wise analysis shows that this high correlation does not hold true to loop regions at the structurally equivalent positions in NMR ensembles and their homologues of known structure. This suggests that the general nature of local structural changes is unique; however most of the local structural variations in loop regions of NMR ensembles do not correlate to their local structural differences at structurally equivalent positions in homologues.

DEFINING alpha-HELIX GEOMETRY BY C-alpha ATOM TRACE vs (phi-psi) TORSION ANGLES: A COMPARATIVE ANALYSIS

A regular secondary structure is described by a well defined set of values for the backbone dihedral angles (phi,psi and omega) in a polypeptide chain. However in real protein structures small local variations give rise to distortions from the ideal structures, which can lead to considerable variation in higher order organization. Protein structure analysis and accurate assignment of various structural elements, especially their terminii, are important first step in protein structure prediction and design. Various algorithms are available for assigning secondary structure elements in proteins but some lacunae still exist. In this study, results of a recently developed in-house program ASSP have been compared with those from STRIDE, in identification of alpha-helical regions in both globular and membrane proteins. It is found that, while a combination of hydrogen bond patterns and backbone torsional angles (phi-psi) are generally used to define secondary structure elements, the geometry of the C-alpha atom trace by itself is sufficient to define the parameters of helical structures in proteins. It is also possible to differentiate the various helical structures by their C-alpha trace and identify the deviations occurring both at mid-positions as well as at the terminii of alpha-helices, which often lead to occurrence of 3(10) and pi-helical fragments in both globular and membrane proteins.

Optimization of degree of sphericity of primary phase during cooling slope casting of A356 Al alloy: Taguchi method and regression analysis

The present work presents the results of experimental investigation of semi-solid rheocasting of A356 Al alloy using a cooling slope. The experiments have been carried out following Taguchi method of parameter design (orthogonal array of L-9 experiments). Four key process variables (slope angle, pouring temperature, wall temperature, and length of travel of the melt) at three different levels have been considered for the present experimentation. Regression analysis and analysis of variance (ANOVA) has also been performed to develop a mathematical model for degree of sphericity evolution of primary alpha-Al phase and to find the significance and percentage contribution of each process variable towards the final outcome of degree of sphericity, respectively. The best processing condition has been identified for optimum degree of sphericity (0.83) as A(3), B-3, C-2, D-1 i.e., slope angle of 60 degrees, pouring temperature of 650 degrees C, wall temperature 60 degrees C, and 500 mm length of travel of the melt, based on mean response and signal to noise ratio (SNR). ANOVA results shows that the length of travel has maximum impact on degree of sphericity evolution. The predicted sphericity obtained from the developed regression model and the values obtained experimentally are found to be in good agreement with each other. The sphericity values obtained from confirmation experiment, performed at 95% confidence level, ensures that the optimum result is correct and also the confirmation experiment values are within permissible limits. (c) 2014 Elsevier Ltd. All rights reserved.

Hierarchical sampling for metastable conformers determines biomolecular recognition: the case of malectin and diglucosylated N-glycan interactions

Structural information over the entire course of binding interactions based on the analyses of energy landscapes is described, which provides a framework to understand the events involved during biomolecular recognition. Conformational dynamics of malectin's exquisite selectivity for diglucosylated N-glycan (Dig-N-glycan), a highly flexible oligosaccharide comprising of numerous dihedral torsion angles, are described as an example. For this purpose, a novel approach based on hierarchical sampling for acquiring metastable molecular conformations constituting low-energy minima for understanding the structural features involved in a biologic recognition is proposed. For this purpose, four variants of principal component analysis were employed recursively in both Cartesian space and dihedral angles space that are characterized by free energy landscapes to select the most stable conformational substates. Subsequently, k-means clustering algorithm was implemented for geometric separation of the major native state to acquire a final ensemble of metastable conformers. A comparison of malectin complexes was then performed to characterize their conformational properties. Analyses of stereochemical metrics and other concerted binding events revealed surface complementarity, cooperative and bidentate hydrogen bonds, water-mediated hydrogen bonds, carbohydrate-aromatic interactions including CH-pi and stacking interactions involved in this recognition. Additionally, a striking structural transition from loop to beta-strands in malectin CRD upon specific binding to Dig-N-glycan is observed. The interplay of the above-mentioned binding events in malectin and Dig-N-glycan supports an extended conformational selection model as the underlying binding mechanism.

Learning-Based Fast Iterative Convergence of 3-D MoM via Eigen-AGMRES Method

Three-dimensional (3-D) full-wave electromagnetic simulation using method of moments (MoM) under the framework of fast solver algorithms like fast multipole method (FMM) is often bottlenecked by the speed of convergence of the Krylov-subspace-based iterative process. This is primarily because the electric field integral equation (EFIE) matrix, even with cutting-edge preconditioning techniques, often exhibits bad spectral properties arising from frequency or geometry-based ill-conditioning, which render iterative solvers slow to converge or stagnate occasionally. In this communication, a novel technique to expedite the convergence of MoMmatrix solution at a specific frequency is proposed, by extracting and applying Eigen-vectors from a previously solved neighboring frequency in an augmented generalized minimum residual (AGMRES) iterative framework. This technique can be applied in unison with any preconditioner. Numerical results demonstrate up to 40% speed-up in convergence using the proposed Eigen-AGMRES method.

Forebody Compressibility Research of Hypersonic Vehicle

Three kinds of forebody model of hypersonic vehicles were studied with numerical simulation method. It shows that the two- order compressive ramp model is the best selection among the three for its good evaluative parameters value at the cowl of the inlet . This model can provide higher value of flux coefficient and total pressure recovery coefficient and lower average Mach number compared with those of the other two models . Simultaneously different compressive angles may have different effects . The configuration which the firstorder of compressive angle is 4°and the second 5°is the optimum combination. Furthermore factors such as attack angle were concerned. Better result may be obtained with a range of attack angles . Based on the work above the integrated design for forebodyPinlet of a hypersonic vehicle was performed. The numerical result shows that this integrated model provides good flow field quality for inlet and engine work.

Thermal Strain Analysis of a Flip-Chip Package by a Modified Hybrid Method

介绍一种可用于微电子封装局部应变场分析的实验/计算混合方法,该方法结合了有限元的整体/局部模型和实时的激光云纹干涉技术,利用激光云纹干涉技术所测得的应变场来校核有限元整体模型的计算结果,并用整体模型的结果作为局部模型的边界条件,对实验难以确定的封装结构局部位置的应力、应变场进行分析.用这种方法对可控坍塌倒装封装结构在热载荷作用下焊球内的应变场分布进行了分析,结果表明该方法能够提供封装结构内应力-应变场分布的准确和可靠的结果,为微电子封装的可靠性分析提供重要的依据. For the reliability analysis of electronic packages, strains in very localized areas, such as an interconnection or a corner, need to be determined. In this paper, a modified hybrid method of global/local modeling and real time moire interferometry is presented. In this method, a simplified, coarsely meshed global model is developed to get rough information about the deformation of the microelectronic package. In order to make sure the global model has been reasonably simplified and the material properties ...

An improvement and proof of OGY method

OGY method is the most important method of controlling chaos. It stabilizes a hyperbolic periodic orbit by making small perturbations for a system parameter. This paper improves the method of choosing parameter, and gives a mathematics proof of it.

Domain decomposition hybrid method for numerical simulation of bluff body flows:theoretical model and application

The discrete vortex method is not capable of precisely predicting the bluff body flow separation and the fine structure of flow field in the vicinity of the body surface. In order to make a theoretical improvement over the method and to reduce the difficulty in finite-difference solution of N-S equations at high Reynolds number, in the present paper, we suggest a new numerical simulation model and a theoretical method for domain decomposition hybrid combination of finite-difference method and vortex method. Specifically, the full flow. field is decomposed into two domains. In the region of O(R) near the body surface (R is the characteristic dimension of body), we use the finite-difference method to solve the N-S equations and in the exterior domain, we take the Lagrange-Euler vortex method. The connection and coupling conditions for flow in the two domains are established. The specific numerical scheme of this theoretical model is given. As a preliminary application, some numerical simulations for flows at Re=100 and Re-1000 about a circular cylinder are made, and compared with the finite-difference solution of N-S equations for full flow field and experimental results, and the stability of the solution against the change of the interface between the two domains is examined. The results show that the method of the present paper has the advantage of finite-difference solution for N-S equations in precisely predicting the fine structure of flow field, as well as the advantage of vortex method in efficiently computing the global characteristics of the separated flow. It saves computer time and reduces the amount of computation, as compared with pure N-S equation solution. The present method can be used for numerical simulation of bluff body flow at high Reynolds number and would exhibit even greater merit in that case.