147 resultados para Atomistic Simulations


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The GTO model presented in this paper uses analytical expressions to describe the internal physics of the device. It has been implemented to run as compiled code in the SPICE simulation package and as a MAST template in the Saber simulator. A rigorous comparison of measured simulated waveforms and performance parameters (including turn-off energies) for a 3000A device is described and discussed.

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The ultrasmoothness of diamond-like carbon coatings is explained by an atomistic/continuum multiscale model. At the atomic scale, carbon ion impacts induce downhill currents in the top layer of a growing film. At the continuum scale, these currents cause a rapid smoothing of initially rough substrates by erosion of hills into neighboring hollows. The predicted surface evolution is in excellent agreement with atomic force microscopy measurements. This mechanism is general, as shown by similar simulations for amorphous silicon. It explains the recently reported smoothing of multilayers and amorphous transition metal oxide films and underlines the general importance of impact-induced downhill currents for ion deposition, polishing, and nanopattering.

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Large Eddy Simulation (LES) and a novel k -l based hybrid LES/RANS approach have been applied to simulate a conjugate heat transfer problem involving flow over a matrix of surface mounted cubes. In order to assess the capability and reliability of the newly developed k -l based hybrid LES/RANS, numerical results are compared with new LES and existing RANS results. Comparisons include mean velocity profiles, Reynolds stresses and conjugate heat transfer. As well as for hybrid LES/RANS validation purposes, the LES results are used to gain insights into the complex flow physics and heat transfer mechanisms. Numerical simulations show that the hybrid LES/RANS approach is effective. Mean and instantaneous fluid temperatures adjacent to the cube surface are found to strongly correlate with flow structure. Although the LES captures more mean velocity field complexities, broadly time averaged wake temperature fields are found similar for the LES and hybrid LES/RANS. Copyright © 2005 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

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Numerical techniques for non-equilibrium condensing flows are presented. Conservation equations for homogeneous gas-liquid two-phase compressible flows are solved by using a finite volume method based on an approximate Riemann solver. The phase change consists of the homogeneous nucleation and growth of existing droplets. Nucleation is computed with the classical Volmer-Frenkel model, corrected for the influence of the droplet temperature being higher than the steam temperature due to latent heat release. For droplet growth, two types of heat transfer model between droplets and the surrounding steam are used: a free molecular flow model and a semi-empirical two-layer model which is deemed to be valid over a wide range of Knudsen number. The computed pressure distribution and Sauter mean droplet diameters in a convergent-divergent (Laval) nozzle are compared with experimental data. Both droplet growth models capture qualitatively the pressure increases due to sudden heat release by the non-equilibrium condensation. However the agreement between computed and experimental pressure distributions is better for the two-layer model. The droplet diameter calculated by this model also agrees well with the experimental value, whereas that predicted by the free molecular model is too small. Condensing flows in a steam turbine cascade are calculated at different Mach numbers and inlet superheat conditions and are compared with experiments. Static pressure traverses downstream from the blade and pressure distributions on the blade surface agree well with experimental results in all cases. Once again, droplet diameters computed with the two-layer model give best agreement with the experiments. Droplet sizes are found to vary across the blade pitch due to the significant variation in expansion rate. Flow patterns including oblique shock waves and condensation-induced pressure increases are also presented and are similar to those shown in the experimental Schlieren photographs. Finally, calculations are presented for periodically unsteady condensing flows in a low expansion rate, convergent-divergent (Laval) nozzle. Depending on the inlet stagnation subcooling, two types of self-excited oscillations appear: a symmetric mode at lower inlet subcooling and an asymmetric mode at higher subcooling. Plots of oscillation frequency versus inlet sub-cooling exhibit a hysteresis loop, in accord with observations made by other researchers for moist air flow. Copyright © 2006 by ASME.

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3D Direct Numerical Simulations (DNS) of autoignition in turbulent non-premixed flows between fuel and hotter air have been carried out using both 1-step and complex chemistry consisting of a 22 species n-heptane mechanism to investigate spontaneous ignition timing and location. The simple chemistry results showed that the previous findings from 2D DNS that ignition occurred at the most reactive mixture fraction (ξMR) and at small values of the conditional scalar dissipation rate (N|ξMR) are valid also for 3D turbulent mixing fields. Performing the same simulation many times with different realizations of the initial velocity field resulted in a very narrow statistical distribution of ignition delay time, consistent with a previous conjecture that the first appearance of ignition is correlated with the low-N content of the conditional probability density function of N. The simulations with complex chemistry for conditions outside the Negative Temperature Coefficient (NTC) regime show behaviour similar to the single-step chemistry simulations. However, in the NTC regime, the most reactive mixture fraction is very rich and ignition seems to occur at high values of scalar dissipation. Copyright © 2006 by ASME.

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This paper presents the application of advanced compact models of the IGBT and PIN diode to the full electrothermal system simulation of a hybrid electric vehicle converter using a look-up table of device losses. The Fourier-based solution model is used, which takes account of features such as local lifetime control and field-stop technology. Device and circuit parameters are extracted from experimental waveforms and device structural data. Matching of the switching waveforms and the resulting generation of the look-up table is presented. An example of the use of the look-up tables in simulation of inverter device temperatures is also given, for a hypothetical electric vehicle subjected to an urban driving cycle. © 2006 IEEE.

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Over recent years we have developed and published research aimed at producing a meshing, geometry editing and simulation system capable of handling large scale, real world applications and implemented in an end-to-end parallel, scalable manner. The particular focus of this paper is the extension of this meshing system to include conjugate meshes for multi-physics simulations. Two contrasting applications are presented: export of a body-conformal mesh to drive a commercial, third-party simulation system; and direct use of the cut-Cartesian octree mesh with a single, integrated, close-coupled multi-physics simulation system. Copyright © 2010 by W.N.Dawes.

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This paper deals with the experimental evaluation of a flow analysis system based on the integration between an under-resolved Navier-Stokes simulation and experimental measurements with the mechanism of feedback (referred to as Measurement-Integrated simulation), applied to the case of a planar turbulent co-flowing jet. The experiments are performed with inner-to-outer-jet velocity ratio around 2 and the Reynolds number based on the inner-jet heights about 10000. The measurement system is a high-speed PIV, which provides time-resolved data of the flow-field, on a field of view which extends to 20 jet heights downstream the jet outlet. The experimental data can thus be used both for providing the feedback data for the simulations and for validation of the MI-simulations over a wide region. The effect of reduced data-rate and spatial extent of the feedback (i.e. measurements are not available at each simulation time-step or discretization point) was investigated. At first simulations were run with full information in order to obtain an upper limit of the MI-simulations performance. The results show the potential of this methodology of reproducing first and second order statistics of the turbulent flow with good accuracy. Then, to deal with the reduced data different feedback strategies were tested. It was found that for small data-rate reduction the results are basically equivalent to the case of full-information feedback but as the feedback data-rate is reduced further the error increases and tend to be localized in regions of high turbulent activity. Moreover, it is found that the spatial distribution of the error looks qualitatively different for different feedback strategies. Feedback gain distributions calculated by optimal control theory are presented and proposed as a mean to make it possible to perform MI-simulations based on localized measurements only. So far, we have not been able to low error between measurements and simulations by using these gain distributions.

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Gas hydrate is a crystalline solid found within marine and subpermafrost sediments. While the presence of hydrates can have a profound effect on sediment properties, the stress-strain behavior of hydrate-bearing sediments is poorly understood due to inherent limitations in laboratory testing. In this study, we use numerical simulations to improve our understanding of the mechanical behavior of hydrate-bearing sands. The hydrate mass is simulated as either small randomly distributed bonded grains or as "ripened hydrate" forming patchy saturation, whereby sediment clusters with 100% pore-filled hydrate saturation are distributed within a hydrate-free sediment. Simulation results reveal that reduced sand porosity and higher hydrate saturation cause an increase in stiffness, strength, and dilative tendency, and the critical state line shifts toward higher void ratio and higher shear strength. In particular, the critical state friction angle increases in sands with patchy saturation, while the apparent cohesion is affected the most when the hydrate mass is distributed in pores. Sediments with patchy hydrate distribution exhibit a slightly lower strength than sediments with randomly distributed hydrate. Finally, hydrate dissociation under drained conditions leads to volume contraction and/or stress relaxation, and pronounced shear strains can develop if the hydrate-bearing sand is subjected to deviatoric loading during dissociation.