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At least 991 records · Page 55

The Statistical Mechanics of Ideal Homogeneous Turbulence

Plasmas, such as those found in the space environment or in plasma confinement devices, are often modeled as electrically conducting fluids. When fluids and plasmas are energetically stirred, regions of highly nonlinear, chaotic behavior known as turbulence arise. Understanding the fundamental nature of turbulence is a long-standing theoretical challenge. The present work describes a statistical theory concerning a certain class of nonlinear, finite dimensional, dynamical models of turbulence. These models arise when the partial differential equations describing incompressible, ideal (i.e., nondissipative) homogeneous fluid and magnetofluid (i.e., plasma) turbulence are Fourier transformed into a very large set of ordinary differential equations. These equations define a divergenceless flow in a high-dimensional phase space, which allows for the existence of a Liouville theorem, guaranteeing a distribution function based on constants of the motion (integral invariants). The novelty of these particular dynamical systems is that there are integral invariants other than the energy, and that some of these invariants behave like pseudoscalars under two of the discrete symmetry transformations of physics, parity, and charge conjugation. In this work the 'rugged invariants' of ideal homogeneous turbulence are shown to be the only significant scalar and pseudoscalar invariants. The discovery that pseudoscalar invariants cause symmetries of the original equations to be dynamically broken and induce a nonergodic structure on the associated phase space is the primary result presented here. Applicability of this result to dissipative turbulence is also discussed.

Shebalin, John V.↗

Transverse Mode Dynamics of Broad-Area Edge- and Surface-Emitting Lasers

This paper reports new results of our recent theoretical and simulational research in broad-area diode lasers. In a broad-area edge- or surface-emitting laser, the large space dimension in the direction transverse to the propagation direction requires an adequate treatment of inhomogeneities of the relevant physical quantities, such as laser field intensity and electron-hole carrier densities. The density inhomogeneity requires gain and refractive index nonlinearities across the laser structure to be included. All these features can be captured by a set of space-time resolved partial differential equations, the so-called effective Bloch equations established recently. We have solved this set of equations for both edge-emitting and surface-emitting lasers. This allows us to investigate temporal dynamics of transverse mode structures in these lasers. The influence of the transverse pumping profile and geometrical structure of the devices will be reported for VCSELs, as well as the complex temporal competition dynamics of different modes.

Ning, Cun-Zheng↗

Simulation of Ultra-Small MOSFETs Using a 2-D Quantum-Corrected Drift-Diffusion Model

The continued down-scaling of electronic devices, in particular the commercially dominant MOSFET, will force a fundamental change in the process of new electronics technology development in the next five to ten years. The cost of developing new technology generations is soaring along with the price of new fabrication facilities, even as competitive pressure intensifies to bring this new technology to market faster than ever before. To reduce cost and time to market, device simulation must become a more fundamental, indeed dominant, part of the technology development cycle. In order to produce these benefits, simulation accuracy must improve markedly. At the same time, device physics will become more complex, with the rapid increase in various small-geometry and quantum effects. This work describes both an approach to device simulator development and a physical model which advance the effort to meet the tremendous electronic device simulation challenge described above. The device simulation approach is to specify the physical model at a high level to a general-purpose (but highly efficient) partial differential equation solver (in this case PROPHET, developed by Lucent Technologies), which then simulates the model in 1-D, 2-D, or 3-D for a specified device and test regime. This approach allows for the rapid investigation of a wide range of device models and effects, which is certainly essential for device simulation to catch up with, and then stay ahead of, electronic device technology of the present and future. The physical device model used in this work is the density-gradient (DG) quantum correction to the drift-diffusion model [Ancona, Phys. Rev. B 35(5), 7959 (1987)]. This model adds tunneling and quantum smoothing of carrier density profiles to the drift-diffusion model. We used the DG model in 1-D and 2-D (for the first time) to simulate both bipolar and unipolar devices. Simulations of heavily-doped, short-base diodes indicated that the DG quantum corrections do not have a large effect on the IN characteristics of electronic devices without heteroj unction s. On the other hand, ultra-small MOSFETs certainly exhibit important quantum effects that the DG model will include: quantum repulsion of the inversion and gate charges from the oxide interfaces, and quantum tunneling through thin gate oxides. We present initial results of 2-D DG simulations of ultra-small MOSFETs. Subtle but important issues involving the specification of the model, boundary conditions, and interface constraints for DG simulation of MOSFETs will also be illuminated.

Biegal, Bryan A.↗

New Boundary Constraints for Elliptic Systems used in Grid Generation Problems

This paper discusses new boundary constraints for elliptic partial differential equations as used in grid generation problems in generalized curvilinear coordinate systems. These constraints, based on the principle of local conservation of thermal energy in the vicinity of the boundaries, are derived using the Green's Theorem. They uniquely determine the so called decay parameters in the source terms of these elliptic systems. These constraints' are designed for boundary clustered grids where large gradients in physical quantities need to be resolved adequately. It is observed that the present formulation also works satisfactorily for mild clustering. Therefore, a closure for the decay parameter specification for elliptic grid generation problems has been provided resulting in a fully automated elliptic grid generation technique. Thus, there is no need for a parametric study of these decay parameters since the new constraints fix them uniquely. It is also shown that for Neumann type boundary conditions, these boundary constraints uniquely determine the solution to the internal elliptic problem thus eliminating the non-uniqueness of the solution of an internal Neumann boundary value grid generation problem.

Kaul, Upender K.↗

Simulation of Ultra-Small MOSFETs Using a 2-D Quantum-Corrected Drift-Diffusion Model

We describe an electronic transport model and an implementation approach that respond to the challenges of device modeling for gigascale integration. We use the density-gradient (DG) transport model, which adds tunneling and quantum smoothing of carrier density profiles to the drift-diffusion model. We present the current implementation of the DG model in PROPHET, a partial differential equation solver developed by Lucent Technologies. This implementation approach permits rapid development and enhancement of models, as well as run-time modifications and model switching. We show that even in typical bulk transport devices such as P-N diodes and BJTs, DG quantum effects can significantly modify the I-V characteristics. Quantum effects are shown to be even more significant in small, surface transport devices, such as sub-0.1 micron MOSFETs. In thin-oxide MOS capacitors, we find that quantum effects may reduce gate capacitance by 25% or more. The inclusion of quantum effects in simulations dramatically improves the match between C-V simulations and measurements. Significant quantum corrections also occur in the I-V characteristics of short-channel MOSFETs due to the gate capacitance correction.

Biegel, Bryan A.↗

Calculation of Scattering Amplitude Without Partial Analysis: Inclusion of Exchange - II

There was a method for calculating the whole scattering amplitude, f(Omega(sub k)), directly. The idea was to calculate the complete wave function Psi numerically, and use it in an integral expression for f, which can be reduced to a 2 dimensional quadrature. The original application was for e-H scattering without exchange. There the Schrodinger reduces a 2-d partial differential equation (pde), which was solved using the finite element method (FEM). Here we extend the method to the exchange approximation. The S.E. can be reduced to a pair of coupled pde's, which are again solved by the FEM. The formal expression for f(Omega(sub k)) consists two integrals, f+/- = f(sub d) +/- f(sub e); f(sub d) is formally the same integral as the no-exchange f. We have also succeeded in reducing f(sub e) to a 2-d integral. Results will be presented at the meeting.

Temkin, Aaron↗

Topographic Effects on Geologic Mass Movements

This report describes research directed toward understanding the response of volcanic lahars and lava flows to changes in the topography along the path of the flow. We have used a variety of steady-state and time-dependent models of lahars and lava flows to calculate the changes in flow dynamics due to variable topography. These models are based on first-order partial differential equations for the local conservation of volume. A global volume conservation requirement is also imposed to determine the extent of the flow as a function of time and the advance rate. Simulated DEMs have been used in this report.

Baloga, Stephen M.↗

Building Blocks for Reliable Complex Nonlinear Numerical Simulations

This talk describes some of the building blocks to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations. Examples relevant to turbulent flow computations are included.

Yee, H. C.↗

Computing Aerodynamic Performance of a 2D Iced Airfoil: Blocking Topology and Grid Generation

The ice accrued on airfoils can have enormously complicated shapes with multiple protruded horns and feathers. In this paper, several blocking topologies are proposed and evaluated on their ability to produce high-quality structured multi-block grid systems. A transition layer grid is introduced to ensure that jaggedness on the ice-surface geometry do not to propagate into the domain. This is important for grid-generation methods based on hyperbolic PDEs (Partial Differential Equations) and algebraic transfinite interpolation. A 'thick' wrap-around grid is introduced to ensure that grid lines clustered next to solid walls do not propagate as streaks of tightly packed grid lines into the interior of the domain along block boundaries. For ice shapes that are not too complicated, a method is presented for generating high-quality single-block grids. To demonstrate the usefulness of the methods developed, grids and CFD solutions were generated for two iced airfoils: the NLF0414 airfoil with and without the 623-ice shape and the B575/767 airfoil with and without the 145m-ice shape. To validate the computations, the computed lift coefficients as a function of angle of attack were compared with available experimental data. The ice shapes and the blocking topologies were prepared by NASA Glenn's SmaggIce software. The grid systems were generated by using a four-boundary method based on Hermite interpolation with controls on clustering, orthogonality next to walls, and C continuity across block boundaries. The flow was modeled by the ensemble-averaged compressible Navier-Stokes equations, closed by the shear-stress transport turbulence model in which the integration is to the wall. All solutions were generated by using the NPARC WIND code.

Chi, X.↗

Microscopic Foundation and Simulation of Coupled Carrier-Temperature Diffusions in Semiconductor Lasers

A typical semiconductor-based optoelectronic device, such as a diode laser, consists of three subsystems: an optical field, an electron-hole plasma (EHP), and a host crystal lattice. The physics of such a device involves the interplay of optical, electrical and thermal processes. A proper description of such a device requires that all three processes are treated on equal footing and in a self-consistent fashion. Furthermore, since a semiconductor laser has intrinsic spatial inhomogeneity, such a self-consistency naturally leads to a set of partial differential equations in space and time. There is a significant lacking of research interest and results on the transport aspects of optical devices in the literature with only a few exceptions. Even the most important carrier diffusion coefficient has not been properly derived and studied so far for optically excited plasma, while most of the work adopted results from electronics community where heavily doped semiconductors with mainly one type of carriers are dealt with. The corresponding transport equation for plasma energy or temperature has received even less attention. In this talk we describe our recent results on such a self-consistent derivation of temperature and carrier-density diffusion equations coupled with the lasing process. Starting from the microscopic semiconductor Bloch equations (SBEs) including the Boltzmann transport terms in the distribution function equations for electrons and holes, we derived a closed set of diffusion equations for carrier densities and temperatures with self-consistent coupling to Maxwell's equation and to an effective optical polarization equation. The coherent many-body effects are included within the screened Hartree-Fock approximation, while scatterings are treated within the second Born approximation including both the in- and out-scatterings. Microscopic expressions for electron-hole (e-h) and carrier-LO (c-LO) phonon scatterings are directly used to derive the momentum and energy relaxation rates. These rates expressed as functions of temperatures and densities lead to microscopic expressions for self- and mutual-diffusion coefficients in the coupled density-temperature diffusion equations. Approximations for reducing the general two-component description of the electron-hole plasma (EHP) to a single-component one are discussed. In particular, we show that a special single-component reduction is possible when e-h scattering dominates over c-LO phonon scattering. The ambipolar diffusion approximation is also discussed and we show that the ambipolar diffusion coefficients are independent of e-h scattering, even though the diffusion coefficients of individual components depend sensitively on the e-h scattering rates. Our discussions lead to new perspectives into the roles played in the single-component reduction by the electron-hole correlation in momentum space induced by scatterings and the electron-hole correlation in real space via internal static electrical field. Finally, the theory is completed by coupling the diffusion equations to the lattice temperature equation and to the effective optical polarization which in turn couples to the laser field. The equations derived above are implemented in various limiting cases to a typical diode laser to study the consequences of nonlinear diffusion and the cross diffusion terms on laser behavior, especially the dynamic behavior of a diode laser under modulation. Detailed results will be presented by comparing with the standard rate equation results.

Li, J.↗

A Localized Tau Method PDE Solver

In this paper we present a new form of the collocation method that allows one to find very accurate solutions to time marching problems without the unwelcome appearance of Gibb's phenomenon oscillations. The basic method is applicable to any partial differential equation whose solution is a continuous, albeit possibly rapidly varying function. Discontinuous functions are dealt with by replacing the function in a small neighborhood of the discontinuity with a spline that smoothly connects the function segments on either side of the discontinuity. This will be demonstrated when the solution to the inviscid Burgers equation is discussed.

Cottam, Russell↗

Efficient Development of High Fidelity Structured Volume Grids for Hypersonic Flow Simulations

A new technique for the control of grid line spacing and intersection angles of a structured volume grid, using elliptic partial differential equations (PDEs) is presented. Existing structured grid generation algorithms make use of source term hybridization to provide control of grid lines, imposing orthogonality implicitly at the boundary and explicitly on the interior of the domain. A bridging function between the two types of grid line control is typically used to blend the different orthogonality formulations. It is shown that utilizing such a bridging function with source term hybridization can result in the excessive use of computational resources and diminishes robustness. A new approach, Anisotropic Lagrange Based Trans-Finite Interpolation (ALBTFI), is offered as a replacement to source term hybridization. The ALBTFI technique captures the essence of the desired grid controls while improving the convergence rate of the elliptic PDEs when compared with source term hybridization. Grid generation on a blunt cone and a Shuttle Orbiter is used to demonstrate and assess the ALBTFI technique, which is shown to be as much as 50% faster, more robust, and produces higher quality grids than source term hybridization.

Alter, Stephen J.↗

The Elasto-Plastic Stability of Plates

This article explains results developed from the following research: 'The Stability of Plates and Shells beyond the Elastic Limit.' A significant improvement is found in the derivation of the relations between the stress factors and the strains resulting from the instability of plates and shells. In a strict analysis, the problem reduces to the solution of two simultaneous nonlinear partial differential equations of the fourth order in the deflection and stress function, and in the approximate analysis to a single linear equation of the Bryan type. Solutions are given for the special cases of a rectangular plate buckling into a cylindrical form, and of an arbitrarily shaped plate under uniform compression. These solutions indicate that the accuracy obtained by the approximate method is satisfactory.

Ilyushin, A. A.↗

Reliability of Complex Nonlinear Numerical Simulations

This work describes some of the procedure to ensure a higher level of confidence in the predictability and reliability (PAR) of numerical simulation of multiscale complex nonlinear problems. The focus is on relating PAR of numerical simulations with complex nonlinear phenomena of numerics. To isolate sources of numerical uncertainties, the possible discrepancy between the chosen partial differential equation (PDE) model and the real physics and/or experimental data is set aside. The discussion is restricted to how well numerical schemes can mimic the solution behavior of the underlying PDE model for finite time steps and grid spacings. The situation is complicated by the fact that the available theory for the understanding of nonlinear behavior of numerics is not at a stage to fully analyze the nonlinear Euler and Navier-Stokes equations. The discussion is based on the knowledge gained for nonlinear model problems with known analytical solutions to identify and explain the possible sources and remedies of numerical uncertainties in practical computations. Examples relevant to turbulent flow computations are included.

Yee, H. C.↗

Variable Step Integration Coupled with the Method of Characteristics Solution for Water-Hammer Analysis, A Case Study

One-dimensional water-hammer modeling involves the solution of two coupled non-linear hyperbolic partial differential equations (PDEs). These equations result from applying the principles of conservation of mass and momentum to flow through a pipe, and usually the assumption that the speed at which pressure waves propagate through the pipe is constant. In order to solve these equations for the interested quantities (i.e. pressures and flow rates), they must first be converted to a system of ordinary differential equations (ODEs) by either approximating the spatial derivative terms with numerical techniques or using the Method of Characteristics (MOC). The MOC approach is ideal in that no numerical approximation errors are introduced in converting the original system of PDEs into an equivalent system of ODEs. Unfortunately this resulting system of ODEs is bound by a time step constraint so that when integrating the equations the solution can only be obtained at fixed time intervals. If the fluid system to be modeled also contains dynamic components (i.e. components that are best modeled by a system of ODEs), it may be necessary to take extremely small time steps during certain points of the model simulation in order to achieve stability and/or accuracy in the solution. Coupled together, the fixed time step constraint invoked by the MOC, and the occasional need for extremely small time steps in order to obtain stability and/or accuracy, can greatly increase simulation run times. As one solution to this problem, a method for combining variable step integration (VSI) algorithms with the MOC was developed for modeling water-hammer in systems with highly dynamic components. A case study is presented in which reverse flow through a dual-flapper check valve introduces a water-hammer event. The predicted pressure responses upstream of the check-valve are compared with test data.

Turpin, Jason B.↗

Termolecular ion-molecule reactions in Titan's atmosphere. IV. A search made at up to 1 micron in pure hydrocarbons

The results of a study of ion-molecule reactions occurring in pure methane, acetylene, ethylene, ethane, propyne, propene, propane, and diacetylene at pressures up to 40 microns of pressure are reported. A variety of experimental methods are used: The standard double resonance in an ICR, for determination of the precursor ions and the modulated double resonance ejection in an ICR, for the determination of the daughter ions. The FA-SIFT technique was used for validation and examination of termolecular reactions with rate coefficients that are less than 10(-26) cm(6) s(-1). An extensive database of reaction kinetics already exists for many of these reactions. The main point of this study was the determination of the accuracy of this database and to search for any missing reactions and reaction channels that may have been omitted from earlier investigations. A specific objective of this work was to extend the study to the highest pressures possible to find out if there were any important termolecular reaction channels occurring. A new approach was used here. In the pure hydrocarbon gases the mass spectra were followed as a function of the pressure changes of the gas. An initial guess was first made using the current literature as a source of the reaction kinetics that were expected. A model of the ion abundances was produced from the solution of the partial differential equations in terms of reaction rate coefficients and initial abundances. The experimental data was fitted to the model for all of the pressures by a least squares minimization to the reaction rate coefficients and initial abundances. The reaction rate coefficients obtained from the model were then compared to the literature values. Several new channels and reactions were discovered when the modeled fits were compared to the actual data. This is all explained in the text and the implications of these results are discussed for the Titan atmosphere.

Hydrocarbons, Acyclic/analysis↗

Correspondence between discrete and continuous models of excitable media: trigger waves

We present a theoretical framework for relating continuous partial differential equation (PDE) models of excitable media to discrete cellular automata (CA) models on a randomized lattice. These relations establish a quantitative link between the CA model and the specific physical system under study. We derive expressions for the CA model's plane wave speed, critical curvature, and effective diffusion constant in terms of the model's internal parameters (the interaction radius, excitation threshold, and time step). We then equate these expressions to the corresponding quantities obtained from solution of the PDEs (for a fixed excitability). This yields a set of coupled equations with a unique solution for the required CA parameter values. Here we restrict our analysis to "trigger" wave solutions obtained in the limiting case of a two-dimensional excitable medium with no recovery processes. We tested the correspondence between our CA model and two PDE models (the FitzHugh-Nagumo medium and a medium with a "sawtooth" nonlinear reaction source) and found good agreement with the numerical solutions of the PDEs. Our results suggest that the behavior of trigger waves is actually controlled by a small number of parameters.

Non-NASA Center↗

Initial Results of an MDO Method Evaluation Study

The NASA Langley MDO method evaluation study seeks to arrive at a set of guidelines for using promising MDO methods by accumulating and analyzing computational data for such methods. The data are collected by conducting a series of re- producible experiments. In the first phase of the study, three MDO methods were implemented in the SIGHT: framework and used to solve a set of ten relatively simple problems. In this paper, we comment on the general considerations for conducting method evaluation studies and report some initial results obtained to date. In particular, although the results are not conclusive because of the small initial test set, other formulations, optimality conditions, and sensitivity of solutions to various perturbations. Optimization algorithms are used to solve a particular MDO formulation. It is then appropriate to speak of local convergence rates and of global convergence properties of an optimization algorithm applied to a specific formulation. An analogous distinction exists in the field of partial differential equations. On the one hand, equations are analyzed in terms of regularity, well-posedness, and the existence and unique- ness of solutions. On the other, one considers numerous algorithms for solving differential equations. The area of MDO methods studies MDO formulations combined with optimization algorithms, although at times the distinction is blurred. It is important to

Alexandrov, Natalia M.↗