Phase-Field Simulation of Fusion Interface Events during Solidification of Dissimilar Welds: Effect of Composition Inhomogeneity

We investigate the events near the fusion interfaces of dissimilar welds using a phase-field model developed for single-phase solidification of binary alloys. The parameters used here correspond to the dissimilar welding of a Ni/Cu couple. The events at the Ni and the Cu interface are very different, which illustrate the importance of the phase diagram through the slope of the liquidus curves. In the Ni side, where the liquidus temperature decreases with increasing alloying, solutal melting of the base metal takes place; the resolidification, with continuously increasing solid composition, is very sluggish until the interface encounters a homogeneous melt composition. The growth difficulty of the base metal increases with increasing initial melt composition, which is equivalent to a steeper slope of the liquidus curve. In the Cu side, the initial conditions result in a deeply undercooled melt and contributions from both constrained and unconstrained modes of growth are observed. The simulations bring out the possibility of nucleation of a concentrated solid phase from the melt, and a secondary melting of the substrate due to the associated recalescence event. The results for the Ni and Cu interfaces can be used to understand more complex dissimilar weld interfaces involving multiphase solidification.

On the stacking fault energies of some close-packed hexagonal metals

It is now realised (1,2,3) that a knowledge of stacking fault energy is fundamental for an understanding of the mechanical behaviour of metals. There are several processes in which the imperfect dislocations have to recombine locally to form an unextended dislocation . For intersection of two dislocations it is, for example, necessary to form 'constrictions'. Cross slip of extended dislocations also involves constriction. The onset of stage llI work hardening in a crystal with close-packed structure is attributed to cross slip and hence is controlled by the stacking fault energy (SPE). Methods of estimation of SFE are based on either the direct observation of stacking faults in an electron microscope or their effects on the deformation processes.

Real-Time Simulation of Electrical Machines on FPGA Platform

This paper presents real-time simulation models of electrical machines on FPGA platform. Implementation of the real-time numerical integration methods with digital logic elements is discussed. Several numerical integrations are presented. A real-time simulation of DC machine is carried out on this FPGA platform and important transient results are presented. These results are compared to simulation results obtained through a commercial off-line simulation software

Monte carlo simulation for molecular gas dynamics

The dynamics of low-density flows is governed by the Boltzmann equation of the kinetic theory of gases. This is a nonlinear integro-differential equation and, in general, numerical methods must be used to obtain its solution. The present paper, after a brief review of Direct Simulation Monte Carlo (DSMC) methods due to Bird, and Belotserkovskii and Yanitskii, studies the details of theDSMC method of Deshpande for mono as well as multicomponent gases. The present method is a statistical particle-in-cell method and is based upon the Kac-Prigogine master equation which reduces to the Boltzmann equation under the hypothesis of molecular chaos. The proposed Markoff model simulating the collisions uses a Poisson distribution for the number of collisions allowed in cells into which the physical space is divided. The model is then extended to a binary mixture of gases and it is shown that it is necessary to perform the collisions in a certain sequence to obtain unbiased simulation.

Numerical simulation of solidification of liquid aluminum alloy flowing on cooling slope

Preparation of semisolid slurry using a cooling slope is increasingly becoming popular, primarily because of the simplicity in design and ease control of the process. In this process, liquid alloy is poured down an inclined surface which is cooled from underneath. The cooling enables partial solidification and the incline provides the necessary shear for producing semisolid slurry. However, the final microstructure of the ingot depends on several process parameters such as cooling rate, incline angle of the cooling slope, length of the slope and initial melt superheat. In this work, a CFD model using volume of fluid (VOF) method for simulating flow along the cooling slope was presented. Equations for conservation of mass, momentum, energy and species were solved to predict hydrodynamic and thermal behavior, in addition to predicting solid fraction distribution and macrosegregation. Solidification was modeled using an enthalpy approach and a volume averaged technique for the different phases. The mushy region was modeled as a multi-layered porous medium consisting of fixed columnar dendrites and mobile equiaxed/fragmented grains. The alloy chosen for the study was aluminum alloy A356, for which adequate experimental data were available in the literature. The effects of two key process parameters, namely the slope angle and the pouring temperature, on temperature distribution, velocity distribution and macrosegregation were also studied.

On the holographic simulation of non-circular zone plates

New methods involving the manipulation of fundamental wavefronts (e.g., plane and spherical) with simple optical components such as pinholes and spherical lenses have been developed for the fabrication of elliptic, hyperbolic and conical holographic zone plates. Also parabolic zone plates by holographic techniques have been obtained for the first time. The performance behaviour of these zone plates has been studied. Further a phenomenological explanation is offered for the observed improved fringe contrast obtained with a spherical reference wave.

A simple method for potential flow simulation of cascades

A simple method using a combination of conformal mapping and vortex panel method to simulate potential flow in cascades is presented. The cascade is first transformed to a single body using a conformal mapping, and the potential flow over this body is solved using a simple higher order vortex panel method. The advantage of this method over existing methodologies is that it enables the use of higher order panel methods, as are used to solve flow past an isolated airfoil, to solve the cascade problem without the need for any numerical integrations or iterations. The fluid loading on the blades, such as the normal force and pitching moment, may be easily calculated from the resultant velocity field. The coefficient of pressure on cascade blades calculated with this methodology shows good agreement with previous numerical and experimental results.

Monte Carlo simulation of low temperature phase diagrams of YBa2Cu3O6+x

We report the results of Monte Carlo simulation of oxygen ordering in the oxygen deficient portion (x<0.5) of YBa2Cu3O6+x at low temperatures. We find qualitative agreement among cluster - variation, Monte Carlo and transfer matrix methods. However, low temperature and ground state simulations clearly indicate the presence of a tetragonal phase. There is also evidence for two second order phase transition lines separating the tetragonal and the �double cell� ortho II phase. The effect of decreasing the inter-chain repulsion on oxygen ordering has also been investigated.

Quantum clustering and network analysis of MD simulation trajectories to probe the conformational ensembles of protein-ligand interactions

In this article, we present a novel application of a quantum clustering (QC) technique to objectively cluster the conformations, sampled by molecular dynamics simulations performed on different ligand bound structures of the protein. We further portray each conformational population in terms of dynamically stable network parameters which beautifully capture the ligand induced variations in the ensemble in atomistic detail. The conformational populations thus identified by the QC method and verified by network parameters are evaluated for different ligand bound states of the protein pyrrolysyl-tRNA synthetase (DhPylRS) from D. hafniense. The ligand/environment induced re-distribution of protein conformational ensembles forms the basis for understanding several important biological phenomena such as allostery and enzyme catalysis. The atomistic level characterization of each population in the conformational ensemble in terms of the re-orchestrated networks of amino acids is a challenging problem, especially when the changes are minimal at the backbone level. Here we demonstrate that the QC method is sensitive to such subtle changes and is able to cluster MD snapshots which are similar at the side-chain interaction level. Although we have applied these methods on simulation trajectories of a modest time scale (20 ns each), we emphasize that our methodology provides a general approach towards an objective clustering of large-scale MD simulation data and may be applied to probe multistate equilibria at higher time scales, and to problems related to protein folding for any protein or protein-protein/RNA/DNA complex of interest with a known structure.

Nanotubes of the disulfides of groups 4 and 5 metals

The layered chalcogenides, having structures analogous to graphite, are known to be unstable toward bending and show high propensity to form curved structures, thus eliminating dangling bonds at the edges. Since the discovery of fullerene and nanotube structures of WS2 and MoS2 by Tenne et al. [1-3], there have been attempts to prepare and characterize nanotubes of other layered dichalcogenides with structures analogous to MoS2. Nanotubes of MoS2 and WS2 were prepared by Tenne et al. by reducing the corresponding oxides to the suboxides followed by heating in an atmosphere of forming gas (5 % H-2 + 95 % N-2) and H2S at 700-900 degreesC [1-3]. Alternative methods of synthesis of MoS2 and WS2 nanotubes have since been proposed by employing the decomposition of the ammonium thiometallates or the corresponding trisulfide precursors. This alternative procedure was based on the observation that the trisulfide seems to be formed as an intermediate in the synthesis of the MoS2 and WS2 nanotubes [4]. Accordingly, the decomposition of the trisulfides of MoS2 and W in a reducing atmosphere directly yielded nanotubes of the disulfides MoS2 and WS2 [5]. In this article, we describe the synthesis, structure, and characterization of a few novel nanotubes of the disulfides of groups 4 and 5 metals. These include nanotubes of NbS2, TaS2, ZrS2, and HfS2. The study enlarges the scope of the inorganic nanotubes significantly and promises other interesting possibilities, including the synthesis of the diselenide nanotubes of these metals.

Stochastic Algorithms for Discrete Parameter Simulation Optimization

We present two efficient discrete parameter simulation optimization (DPSO) algorithms for the long-run average cost objective. One of these algorithms uses the smoothed functional approximation (SFA) procedure, while the other is based on simultaneous perturbation stochastic approximation (SPSA). The use of SFA for DPSO had not been proposed previously in the literature. Further, both algorithms adopt an interesting technique of random projections that we present here for the first time. We give a proof of convergence of our algorithms. Next, we present detailed numerical experiments on a problem of admission control with dependent service times. We consider two different settings involving parameter sets that have moderate and large sizes, respectively. On the first setting, we also show performance comparisons with the well-studied optimal computing budget allocation (OCBA) algorithm and also the equal allocation algorithm. Note to Practitioners-Even though SPSA and SFA have been devised in the literature for continuous optimization problems, our results indicate that they can be powerful techniques even when they are adapted to discrete optimization settings. OCBA is widely recognized as one of the most powerful methods for discrete optimization when the parameter sets are of small or moderate size. On a setting involving a parameter set of size 100, we observe that when the computing budget is small, both SPSA and OCBA show similar performance and are better in comparison to SFA, however, as the computing budget is increased, SPSA and SFA show better performance than OCBA. Both our algorithms also show good performance when the parameter set has a size of 10(8). SFA is seen to show the best overall performance. Unlike most other DPSO algorithms in the literature, an advantage with our algorithms is that they are easily implementable regardless of the size of the parameter sets and show good performance in both scenarios.

Distributed Simulation Of Flexible Manufacturing Systems

Flexible Manufacturing Systems (FMS), widely considered as the manufacturing technology of the future, are gaining increasing importance due to the immense advantages they provide in terms of cost, quality and productivity over the conventional manufacturing. An FMS is a complex interconnection of capital intensive resources and high levels of system performance is very crucial for survival in a competing environment.Discrete event simulation is one of the most popular methods for performance evaluation of FMS during planning, design and operation phases. Indeed fast simulators are suggested for selection of optimal strategies for flow control (which part type to enter and at what instant), AGV scheduling (which vehicle to carry which part), routing (which machine to process the part) and part selection (which part for processing next). In this paper we develop a C-net based model for an FMS and use the same for distributed discrete event simulation. We illustrate using examples the efficacy of destributed discrete event simulation for the performance evaluation of FMSs.

Modified Newton, rank-1 Broyden update and rank-2 BFGS update methods in helicopter trim: A comparative study

Nonlinear equations in mathematical physics and engineering are solved by linearizing the equations and forming various iterative procedures, then executing the numerical simulation. For strongly nonlinear problems, the solution obtained in the iterative process can diverge due to numerical instability. As a result, the application of numerical simulation for strongly nonlinear problems is limited. Helicopter aeroelasticity involves the solution of systems of nonlinear equations in a computationally expensive environment. Reliable solution methods which do not need Jacobian calculation at each iteration are needed for this problem. In this paper, a comparative study is done by incorporating different methods for solving the nonlinear equations in helicopter trim. Three different methods based on calculating the Jacobian at the initial guess are investigated. (C) 2011 Elsevier Masson SAS. All rights reserved.

Simulation of potential and electric field across faulty ceramic disc insulator string

Ceramic/Porcelain insulators are widely used in power transmission lines to provide mechanical support for High voltage conductors in addition to withstand electrical stresses. As a result of lightning, switching or temporary over voltages that could initiate flashover under worst weather conditions, and to operate within interference limits. Given that the useful life in service of the individual insulator elements making up the insulator strings is hard to predict, they must be verified periodically to ensure that adequate line reliability is maintained at all times. Over the years utilities have adopted few methods to detect defective discs in a string, subsequently replacement of the faulty discs are being carried out for smooth operation. But, if the insulator is found to be defective in a string at some location that may not create any changes in the field configuration, there is no need to replace to avoid manpower and cost of replacement. Due to deficiency of electric field data for the existing string configuration, utilities are forced to replace the discs which may not be essentially required. Hence, effort is made in the present work to simulate the potential and electric field along the normal and with faults induced discs in a string up to 765 kV system voltages using Surface Charge Simulation Method (SCSM). A comparison is made between simulated results, experimental and field data and it was found that the computed results are quite acceptable and useful.

Effect of Annealing Temperature in Al 1145 Alloy Sheets on Formability, Void Coalescence, and Texture Analysis

This paper deals with a combined forming and fracture limit diagram and void coalescence analysis for the aluminum alloy Al 1145 alloy sheets of 1.8 mm thickness, annealed at four different temperatures, namely 200, 250, 300, and 350 A degrees C. At different annealing temperatures these sheets were examined for their effects on microstructure, tensile properties, formability, void coalescence, and texture. Scanning electron microscope (SEM) images taken from the fractured surfaces were examined. The tensile properties and formability of sheet metals were correlated with fractography features and void analysis. The variation of formability parameters, normal anisotropy of sheet metals, and void coalescence parameters were compared with texture analysis.