Analytical and simulation studies of a multiprocessor system for high-speed numerical computations

This paper describes the architecture of a multiprocessor system which we call the Broadcast Cube System (BCS) for solving important computation intensive problems such as systems of linear algebraic equations and Partial Differential Equations (PDEs), and highlights its features. Further, this paper presents an analytical performance study of the BCS, and it describes the main details of the design and implementation of the simulator for the BCS.

Structure of the Indian southwesterly pre-monsoon and monsoon boundary layers: Observations and numerical simulation

Characteristics of pre-monsoon and monsoon boundary layer structure and turbulence were studied in New Delhi and Bangalore, India during the summer of 1987. Micrometeorological towers were installed and instrumented at these locations to provide mean and turbulent surface layer measurements, while information on the vertical structure of the atmosphere was obtained using miniradiosondes. Thermal structures of the pre-monsoon and monsoon boundary layers were quite distinct. The daytime, pre-monsoon boundary layer observed over New Delhi was much deeper than that of the monsoon boundary layer observed over Bangalore and at times was characterized by multiple inversions. Surface, turbulent sensible heat fluxes at both sites were approximately the same (235 and 200 Wm−2 for New Delhi and Bangalore, respectively). Diurnal variations in the monsoon boundary layer at Bangalore were more regular compared to those under pre-monsoon conditions at New Delhi. One-dimensional numerical simulations of the pre-monsoon boundary layer using a turbulent energy closure scheme show good agreement with observations.

A Numerical-Simulation Of The Gneiss-Charnockite Transformations In Southern India

This paper presents a numerical simulation of the well-documented, fluid-controlled Kabbal and Ponmudi type gneiss-chamockite transformations in southern India using a free energy minimization method. The computations have considered all the major solid phases and important fluid species in the rock - C-O-H and rock - C-O-H-N systems. Appropriate activity-composition relations for the solid solutions and equations of state for the fluids have been included in order to evaluate the mineral-fluid equilibria attending the incipient chamockite development in the gneisses. The C-O-H fluid speciation pattern in both the Kabbal and Ponmudi type systems indicates that CO2 and H2O make up the bulk of the fluid phase with CO, CH4, H-2 and O2 as minor constituents. In the graphite-buffered Ponmudi-system, the abundance of CO, CH4 and H-2 is orders of magnitude higher than that in the graphite-free Kabbal system. Simulation with C-O-H-N fluids of varying composition demonstrates the complementary role of CO2 and N2 as rather inert dilutants of H2O in the fluid phase. The simulation, carried out on available whole-rock data, has demonstrated the dependence of the transformation X(H2O) on P,T, and phase and chemical composition of the precursor gneiss.

General model of a foam bed reactor

A general model of a foam bed reactor has been developed which rigorously accounts for the extent of gas absorption with chemical reaction occurring in both the storage and foam sections. Its applicability extends to a wide spectrum of reaction velocities. The possibilities of the predominance of the bulk-liquid reaction in the storage section or the absorption with reaction in the foam section can be handled as merely special cases of the general analysis. The importance of foam for carrying out a particular gas-liquid reaction is characterised by a criterion in terms of the fractional rate of reaction in the foam section. Trends of variations in the concentrations of dissolved free A, solute B, and gas-phase A with time of operation of the reactor are presented. The nature of the variation in the fractional rate of reaction in the foam section with time, at different reaction velocities, and the effect of the liquid flow rate (across the storage section) on the transience are also illustrated. Finally, the predictions of the general model have been validated using the available experimental data on the oxidation of sodium sulphide in a foam bed reactor. The agreement between the experimental and the present theoretical information is fairly good, apart from being more insightful than all the previous models of this reactor.

Cell-dynamical simulation of magnetic hysteresis in the two-dimensional Ising system

We present results from numerical simulations using a ‘‘cell-dynamical system’’ to obtain solutions to the time-dependent Ginzburg-Landau equation for a scalar, two-dimensional (2D), (Φ2)2 model in the presence of a sinusoidal external magnetic field. Our results confirm a recent scaling law proposed by Rao, Krishnamurthy, and Pandit [Phys. Rev. B 42, 856 (1990)], and are also in excellent agreement with recent Monte Carlo simulations of hysteretic behavior of 2D Ising spins by Lo and Pelcovits [Phys. Rev. A 42, 7471 (1990)].

Concepts of Static Var System Control For Enhancing Power Transfer in Long Transmission Lines

This paper is concerned with the influence of different levels of complexity in modelling various constituent subsystems on the dynamic stability of power systems compensated by static var systems (SVS) operating on pure voltage control. The system components investigated include thyristor controlled reactor (TCR) transients, SVS delays, network transients, the synchronous generator and automatic voltage regulator (AVR). An overall model is proposed which adequately describes the system performance for small signal perturbations. The SVS performance is validated through detailed nonlinear simulation on a physical simulator.

Influence of Die Surface Textures during Metal Forming-A Study Using Experiments and Simulation

Friction plays an important role in metal forming processes, and the surface texture of the die is a major factor that influences friction. In the present investigation, experiments were conducted to understand the role of surface texture of the harder die surface and load on coefficient of friction. The data analysis showed that the coefficient of friction is highly dependent on the surface texture of the die surface. Assigning different magnitude of coefficients of friction, obtained in the experiments, at different regions between the die and the workpiece, Finite element (FE) simulation of a compression test was carried out to understand the effect of friction on deformation and stress/strain-rate distribution. Simulation results revealed that, owing to the difference in coefficient of friction, there is a change in metal flow pattern. Both experimental and simulation results confirmed that the surface texture of the die surface and thus coefficient of friction directly affects the strain rate and flow pattern of the workpiece.

Relaxation system based sub-grid scale modelling for large eddy simulation of Burgers' equation

An implicit sub-grid scale model for large eddy simulation is presented by utilising the concept of a relaxation system for one dimensional Burgers' equation in a novel way. The Burgers' equation is solved for three different unsteady flow situations by varying the ratio of relaxation parameter (epsilon) to time step. The coarse mesh results obtained with a relaxation scheme are compared with the filtered DNS solution of the same problem on a fine mesh using a fourth-order CWENO discretisation in space and third-order TVD Runge-Kutta discretisation in time. The numerical solutions obtained through the relaxation system have the same order of accuracy in space and time and they closely match with the filtered DNS solutions.

Solvation dynamics in a Brownian dipolar lattice. Comparison between computer simulation and various molecular theories of solvation dynamics

Several recent theoretical and computer simulation studies have considered solvation dynamics in a Brownian dipolar lattice which provides a simple model solvent for which detailed calculations can be carried out. In this article a fully microscopic calculation of the solvation dynamics of an ion in a Brownian dipolar lattice is presented. The calculation is based on the non‐Markovian molecular hydrodynamic theory developed recently. The main assumption of the present calculation is that the two‐particle orientational correlation functions of the solid can be replaced by those of the liquid state. It is shown that such a calculation provides an excellent agreement with the computer simulation results. More importantly, the present calculations clearly demonstrate that the frequency‐dependent dielectric friction plays an important role in the long time decay of the solvation time correlation function. We also find that the present calculation provides somewhat better agreement than either the dynamic mean spherical approximation (DMSA) or the Fried–Mukamel theory which use the simulated frequency‐dependent dielectric function. It is found that the dissipative kernels used in the molecular hydrodynamic approach and in the Fried–Mukamel theory are vastly different, especially at short times. However, in spite of this disagreement, the two theories still lead to comparable results in good agreement with computer simulation, which suggests that even a semiquantitatively accurate dissipative kernel may be sufficient to obtain a reliable solvation time correlation function. A new wave vector and frequency‐dependent dissipative kernel (or memory function) is proposed which correctly goes over to the appropriate expressions in both the single particle and the collective limits. This form is expected to lead to better results than all the existing descriptions.

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.

Analysis of Hydrogen Bonding and Stability of Protein Secondary Structures in Molecular Dynamics Simulation

Molecular Dynamics (MD) simulations provide an atomic level account of the molecular motions and have proven to be immensely useful in the investigation of the dynamical structure of proteins. Once an MD trajectory is obtained, specific interactions at the molecular level can be directly studied by setting up appropriate combinations of distance and angle monitors. However, if a study of the dynamical behavior of secondary structures in proteins becomes important, this approach can become unwieldy. We present herein a method to study the dynamical stability of secondary structures in proteins, based on a relatively simple analysis of backbone hydrogen bonds. The method was developed for studying the thermal unfolding of beta-lactamases, but can be extended to other systems and adapted to study relevant properties.

Study of Pulsed Plasma in a Crossed Flow Dielectric Barrier Discharge Reactor for Improvement of NOx Removal in Raw Diesel Engine Exhaust

Improved performance of plasma in raw engine exhaust treatment is reported. A new type of reactor referred to as of cross-flow dielectric barrier discharge (DBD) was used, in which the gas flow is perpendicular to the corona electrode. In raw exhaust environment, the cross-flow (radial-flow) reactor exhibits a superior performance with regard to NOX removal when compared to that with axial flow of gas. Experiments were conducted at different flow rates ranging from 2 L/min to 25 L/min. The plasma assisted barrier discharge reactor has shown encouraging results in NOx removal at high flow rates.

Design, modelling and simulation of vibratory micromachined gyroscopes

Among various MEMS sensors, a rate gyroscope is one of the most complex sensors from the design point of view. The gyro normally consists of a proof mass suspended by an elaborate assembly of beams that allow the system to vibrate in two transverse modes. The structure is normally analysed and designed using commercial FEM packages such as ANSYS or MEMS specific commercial tools such as Coventor or Intellisuite. In either case, the complexity in analysis rises manyfolds when one considers the etch hole topography and the associated fluid flow calculation for damping. In most cases, the FEM analysis becomes prohibitive and one resorts to equivalent electrical circuit simulations using tools like SABER in Coventor. Here, we present a simplified lumped parameter model of the tuning fork gyro and show how easily it can be implemented using a generic tool like SIMULINK. The results obtained are compared with those obtained from more elaborate and intense simulations in Coventor. The comparison shows that lumped parameter SIMULINK model gives equally good results with fractional effort in modelling and computation. Next, the performance of a symmetric and decoupled vibratory gyroscope structure is also evaluated using this approach and a few modifications are made in this design to enhance the sensitivity of the device.

Stochastic Approximation Algorithms for Constrained Optimization via Simulation

We develop four algorithms for simulation-based optimization under multiple inequality constraints. Both the cost and the constraint functions are considered to be long-run averages of certain state-dependent single-stage functions. We pose the problem in the simulation optimization framework by using the Lagrange multiplier method. Two of our algorithms estimate only the gradient of the Lagrangian, while the other two estimate both the gradient and the Hessian of it. In the process, we also develop various new estimators for the gradient and Hessian. All our algorithms use two simulations each. Two of these algorithms are based on the smoothed functional (SF) technique, while the other two are based on the simultaneous perturbation stochastic approximation (SPSA) method. We prove the convergence of our algorithms and show numerical experiments on a setting involving an open Jackson network. The Newton-based SF algorithm is seen to show the best overall performance.