147 resultados para Atomistic Simulations


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The DDES method is employed to investigate the complex physics involved in supersonic combustion and in particular in the SCHOLAR scramjet test case. The influence on computational results of prescribing turbulent fluctuations at the entrance to the combustion chamber is investigated. The interaction of shock waves, vortices, turbulence and combustion is studied and the existence of secondary vortices on the upper will of the combustor is proposed. © 2012 by Peter Cocks.

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In this paper we present a wafer level three-dimensional simulation model of the Gate Commutated Thyristor (GCT) under inductive switching conditions. The simulations are validated by extensive experimental measurements. To the authors' knowledge such a complex simulation domain has not been used so far. This method allows the in depth study of large area devices such as GCTs, Gate Turn Off Thyristors (GTOs) and Phase Control Thyristors (PCTs). The model captures complex phenomena, such as current filamentation including subsequent failure, which allow us to predict the Maximum Controllable turn-off Current (MCC) and the Safe Operating Area (SOA) previously impossible using 2D distributed models. © 2012 IEEE.

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Measurements and predictions are made of a short-cowl coflowing jet with a bypass ratio of 8:1. The Reynolds number is 300,000, and the inlet Mach numbers are representative of aeroengine conditions. The low Reynolds number of the measurements makes the case well suited to the assessment of large-eddy-simulation-related strategies. The nozzle concentricity is carefully controlled to deal with the emerging metastability issues of jets with coflow. Measurements of mean quantities and turbulence statistics are made using both laser Doppler anemometry and particle image velocimetry. The simulations are completed on 6× 106, 12× 106, and 50 × 106 cell meshes. To overcome near-wall modeling problems, a hybrid large-eddy-simulation-Reynolds-averaged-Navier-Stokesrelated method is used. The near-wall Reynolds-averaged-Navier-Stokes layer is helpful in preventing nonphysical separation from the nozzle wall.Copyright © 2010 by the American Institute of Aeronautics and Astronautics, Inc.

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The nonlinear Kosovic, and mixed Leray and α subgrid scale models are contrasted with linear Smagorinsky and Yoshizawa Large Eddy Simulations for a Re = 4000 plane jet simulation. Comparisons are made with Direct Numerical Simulation data and measurements. Global properties of the jet such as the spreading and centreline velocity decay rates are investigated. The mean-flow and turbulence parameters in the self-similar region are also studied. All models generally give encouraging agreement with the Direct Numerical Simulation data and reliable measurements. Solution differences for the models are relatively minor, none giving clear improvements for all data comparisons.

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Eight equations of state (EOS) have been evaluated for the simulation of compressible liquid water properties, based on empirical correlations, the principle of corresponding states and thermodynamic relations. The IAPWS-IF97 EOS for water was employed as the reference case. These EOSs were coupled to a modified AUSM+-up convective flux solver to determine flow profiles for three test cases of differing flow conditions. The impact of the non-viscous interaction term discretisation scheme, interfacial pressure method and selection of low-Mach number diffusion were also compared. It was shown that a consistent discretisation scheme using the AUSM+-up solver for both the convective flux and the non-viscous interfacial term demonstrated both robustness and accuracy whilst facilitating a computationally cheaper solution than discretisation of the interfacial term independently by a central scheme. The simple empirical correlations gave excellent results in comparison to the reference IAPWS-IF97 EOS and were recommended for developmental work involving water as a cheaper and more accurate EOS than the more commonly used stiffened-gas model. The correlations based on the principles of corresponding-states and the modified Peng-Robinson cubic EOS also demonstrated a high degree of accuracy, which is promising for future work with generic fluids. Further work will encompass extension of the solver to multiple dimensions and to account for other source terms such as surface tension, along with the incorporation of phase changes. © 2013.

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This paper analyzes reaction and thermal front development in porous reservoirs with reacting flows, such as those encountered in shale oil extraction. A set of dimensionless parameters and a 3D code are developed in order to investigate the important physical and chemical variables of such reservoirs when heated by in situ methods. This contribution builds on a 1D model developed for the precursor study to this work. Theory necessary for this study is presented, namely shale decomposition chemical mechanisms, governing equations for multiphase flow in porous media and necessary closure models. Plotting the ratio of the thermal wave speed to the fluid speed allows one to infer that the reaction wave front ends where this ratio is at a minimum. The reaction front follows the thermal front closely, thus allowing assumptions to be made about the extent of decomposition solely by looking at thermal wave progression. Furthermore, this sensitivity analysis showed that a certain minimum permeability is required in order to ensure the formation of a traveling thermal wave. It was found that by studying the non-dimensional governing parameters of the system one can ascribe characteristic values for these parameters for given initial and boundary conditions. This allows one to roughly predict the performance of a particular method on a particular reservoir given approximate values for initial and boundary conditions. Channelling and flow blockage due to carbon residue buildup impeded each method's performance. Blockage was found to be a result of imbalanced heating. Copyright 2012, Society of Petroleum Engineers.