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At least 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
NASA NTRS2009

Computer Code for Nanostructure Simulation

Due to their small size, nanostructures can have stress and thermal gradients that are larger than any macroscopic analogue. These gradients can lead to specific regions that are susceptible to failure via processes such as plastic deformation by dislocation emission, chemical debonding, and interfacial alloying. A program has been developed that rigorously simulates and predicts optoelectronic properties of nanostructures of virtually any geometrical complexity and material composition. It can be used in simulations of energy level structure, wave functions, density of states of spatially configured phonon-coupled electrons, excitons in quantum dots, quantum rings, quantum ring complexes, and more. The code can be used to calculate stress distributions and thermal transport properties for a variety of nanostructures and interfaces, transport and scattering at nanoscale interfaces and surfaces under various stress states, and alloy compositional gradients. The code allows users to perform modeling of charge transport processes through quantum-dot (QD) arrays as functions of inter-dot distance, array order versus disorder, QD orientation, shape, size, and chemical composition for applications in photovoltaics and physical properties of QD-based biochemical sensors. The code can be used to study the hot exciton formation/relation dynamics in arrays of QDs of different shapes and sizes at different temperatures. It also can be used to understand the relation among the deposition parameters and inherent stresses, strain deformation, heat flow, and failure of nanostructures.

Filikhin, Igor↗
NASA NTRS2011

A Source-Term Based Boundary Layer Bleed/Effusion Model for Passive Shock Control

A modeling framework for boundary layer effusion has been developed based on the use of source (or sink) terms instead of the usual practice of specifying bleed directly as a boundary condition. This framework allows the surface boundary condition (i.e. isothermal wall, adiabatic wall, slip wall, etc.) to remain unaltered in the presence of bleed. This approach also lends itself to easily permit the addition of empirical models for second order effects that are not easily accounted for by simply defining effective transpiration values. Two effusion models formulated for supersonic flows have been implemented into this framework; the Doerffer/Bohning law and the Slater formulation. These models were applied to unit problems that contain key aspects of the flow physics applicable to bleed systems designed for hypersonic air-breathing propulsion systems. The ability of each model to predict bulk bleed properties was assessed, as well as the response of the boundary layer as it passes through and downstream of a porous bleed system. The model assessment was performed with and without the presence of shock waves. Three-dimensional CFD simulations that included the geometric details of the porous plate bleed systems were also carried out to supplement the experimental data, and provide additional insights into the bleed flow physics. Overall, both bleed formulations fared well for the tests performed in this study. However, the sample of test problems considered in this effort was not large enough to permit a comprehensive validation of the models.

Baurle, Robert A.↗
NASA NTRS2011

Influence of the Mt. Pinatubo Eruption on the Stratospheric Circulation

On June 15th, 1991 the eruption of Mt. Pinatubo in the Philippines injected about 20 Tg of sulfur dioxide in the stratosphere, which was transformed into sulfuric acid aerosol. Even though stratospheric winds climatologically tend to hinder the air mixing between the two hemispheres, observations have shown that a large part of the SO2 emitted by Mt. Pinatubo have been transported from the Northern to the Southern Hemisphere. We show how the absorption of radiation by sulfate aerosol is responsible for the spreading to the southern hemisphere through a middle stratospheric channel. We simulate the eruption of Mt. Pinatubo with the Goddard Earth Observing System (GEOS) version 5 general circulation model, coupled to the aerosol module GOCART and the stratospheric chemistry module StratChem. Our simulations are in good agreement with SAGE-II and AVHRR data. We perform two ensembles of simulations: the first ensemble consists of runs without coupling between aerosol and radiation. In these simulations the plume of aerosols is treated as a passive tracer and the atmosphere is unperturbed. In the second ensemble of simulations aerosols and radiation are coupled. We show that the set of runs with interactive aerosol produces a larger cross-equatorial transport of the Pinatubo cloud, in agreement with the observations. At first, the volcanic cloud is transported from the latitude of the eruption to both hemispheres through a lower stratospheric pathway. Additionally, in the interactive simulations the absorption of long wave radiation from the volcanic sulfate induces a lofting of the cloud to the middle atmosphere and, at the same time, a divergent motion from the center of the cloud. Such motion spreads the volcanic cloud across the equator and to the tropics, where the background circulation carry it to higher latitudes.

Aquila, V.↗
NASA NTRS2005

Solving Nonlinear Euler Equations with Arbitrary Accuracy

A computer program that efficiently solves the time-dependent, nonlinear Euler equations in two dimensions to an arbitrarily high order of accuracy has been developed. The program implements a modified form of a prior arbitrary- accuracy simulation algorithm that is a member of the class of algorithms known in the art as modified expansion solution approximation (MESA) schemes. Whereas millions of lines of code were needed to implement the prior MESA algorithm, it is possible to implement the present MESA algorithm by use of one or a few pages of Fortran code, the exact amount depending on the specific application. The ability to solve the Euler equations to arbitrarily high accuracy is especially beneficial in simulations of aeroacoustic effects in settings in which fully nonlinear behavior is expected - for example, at stagnation points of fan blades, where linearizing assumptions break down. At these locations, it is necessary to solve the full nonlinear Euler equations, and inasmuch as the acoustical energy is of the order of 4 to 5 orders of magnitude below that of the mean flow, it is necessary to achieve an overall fractional error of less than 10-6 in order to faithfully simulate entropy, vortical, and acoustical waves.

Dyson, Rodger W.↗
NASA NTRS2020

A Path Towards Quantum Advantage in Training Deep Generative Models with Quantum Annealing

A class of quantum-classical hybrid machine-learning algorithms can be obtained by integrating classical deep generative models with quantum probability distributions as 'priors' over their latent variables. We introduce a hybrid implementation of variational autoencoders (QVAE) and also present a technique to hybridize flow-based invertible generative models. We demonstrate the use of D-Wave quantum annealers as physical simulators of quantum Boltzmann machines (QBM) to perform quantum-assisted training of QVAE. Latent-space QBM develop slowly mixing modes, opening a path to obtain quantum advantage in generative modeling with available quantum devices.

Vinci, Walter↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^8 determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

J Wayne Mullinax↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRSDate not supplied

Efficient Implementation for Unitary Coupled Cluster State Preparation for Near-Term Quantum Computers

Unitary coupled cluster theory (UCC) is a common wave function ansatz for quantum simulation of molecular electronic structure using the variational quantum eigenvalue solver (VQE). Even for small molecules using a double-ζ basis, the number of variational parameters required to minimize the electronic energy (i.e., optimize the circuit) is large and beyond the reach of current quantum computers. For example, a circuit simulating C2 using the UCCSD ansatz and the cc-pVDZ basis set with frozen-core will require over 10,000 variational parameters and a Hilbert space of over 10^(8) determinants. To make progress on simulating such molecular systems on near-term quantum computers, we explore how much of the optimization can be approximately prepared with classical simulation while reducing the number of optimization steps performed on a quantum device. Recently, Chen, Cheng, and Freericks [J. Chem. Theory Comput. 2021, 17, 841-847] presented an algorithm for the factorized form of the UCC ansatz that allows for efficient UCC optimizations on classical hardware. We flip the algorithm around and use it to prepare approximate quantum circuits for systems that require a large number of qubits to represent. We will present results from our implementation and discuss strategies for incorporating this implementation for algorithms involving near-term quantum computers.

Quantum Computing↗
NASA NTRS1982

Numerical simulation of magnetohydrodynamic shock propagation in the corona

Recent developments in the field of numerical simulation models for the study of shock wave propagation in the corona are presented. These models are based on gasdynamic (GD) and ideal (that is, dissipationless, except at shocks) magnetohydrodynamic (MHD) theories. The characteristics and physical interpretations of the results derived from these models are discussed in some detail. The most significant physical results obtained to date are provided by the two-dimensional non-planar, time-dependent, MHD numerical simulation model. In this model, the non-linear interaction among the three essential MHD waves, i.e., fast-, slow-, and Alfven waves are demonstrated. Finally, the physical relevance of these numerical simulation models in relation to observed solar activity is presented.

Wu, S. T.↗
NASA NTRS1991

A New Simulator for Assessing Subjective Effects of Sonic Booms

A man rated and computer driven sonic boom simulator which has been constructed and placed in operational use at NASA-Langley is described. The simulator is used to study human subjective reactions to sonic booms and has the capability of producing a wide range of signatures under controlled conditions. Results are presented to illustrate the capability of the simulator to generate user specified N-wave and shaped booms having rise times as low as 0.5 milliseconds and peak overpressures up to 191 Pa (4 psf). The validity of the simulator as a lab research tool for studying human subjective response to sonic booms was demonstrated by successful completion of a preliminary test designed to compare loudness of N-wave sonic booms with results obtained by other investigators. Excellent agreement of the preliminary test data with existing data was observed. This provided confidence in the experimental methodology and established the simulator as a viable tool for performing detailed evaluations of sonic boom loudness and acceptability within the lab. environment.

Leatherwood, Jack D.↗
NASA NTRS2009

Self-Consistent Model of Magnetospheric Electric Field, Ring Current, Plasmasphere, and Electromagnetic Ion Cyclotron Waves: Initial Results

Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.

Gamayunov, K. V.↗
DOE OSTI2023

Synchrotron Polarization Signatures of Surface Waves in Supermassive Black Hole Jets

Abstract Supermassive black holes in active galactic nuclei are known to launch relativistic jets, which are observed across the entire electromagnetic spectrum and thought to be efficient particle accelerators. Their primary radiation mechanism for radio emission is polarized synchrotron emission produced by a population of nonthermal electrons. In this Letter, we present a global general relativistic magnetohydrodynamical (GRMHD) simulation of a magnetically arrested disk (MAD). After the simulation reaches the MAD state, we show that waves are continuously launched from the vicinity of the black hole and propagate along the interface between the jet and the wind. At this interface, a steep gradient in velocity is present between the mildly relativistic wind and the highly relativistic jet. The interface is, therefore, a shear layer, and due to the shear, the waves generate roll-ups that alter the magnetic field configuration and the shear layer geometry. We then perform polarized radiation transfer calculations of our GRMHD simulation and find signatures of the waves in both total intensity and linear polarization, effectively lowering the fully resolved polarization fraction. The telltale polarization signatures of the waves could be observable by future very long baseline interferometric observations, e.g., the next-generation Event Horizon Telescope.

Astronomy & Astrophysics↗
NASA NTRS1983

African wave disturbances in a general circulation model

Evidence is presented to show that African wave disturbances are reproduced in a general circulation simulation. The model used is the general circulation model developed by the Goddard Laboratory for Atmospheric Sciences of the National Aeronautics and Space Agency. The model was integrated in order to simulate the summer of 1974. A synoptic analysis of the simulated data over Africa for the month of July was done. The results of the analysis show that wave disturbances are generated by the model; the behavior and the structure of the simulated disturbances are similar to those observed over tropical Africa during the northern summer.

Estoque, M. A.↗
DOE OSTI2025

Reducing Frequency Bias of Fourier Neural Operators in 3D Seismic Wavefield Simulations Through Multistage Training

The recent development of neural operator (NeurOp) learning for solutions to the elastic wave equation shows promising results and provides the basis for fast large-scale simulations for different seismological applications. In this article, we use the Fourier neural operator (FNO) model to directly solve the 3D Helmholtz wave equation for fast seismic ground-motion simulations on different frequencies and show the frequency bias of the FNO model, that is, it learns the lower frequencies better comparing to the higher frequencies. To reduce the frequency bias, we adopt the multistage FNO training, that is, after training a stage 1 FNO model for estimating the ground motion, we use a second FNO model as the stage 2 to learn from the residual, which greatly reduced the errors on the higher frequencies. By adopting this multistage training, the FNO models show reduced biases on higher frequencies, which enhanced the overall results of the ground-motion simulations. Thus the multistage training FNO improves the accuracy and realism of the ground-motion simulations.

earthquakes↗
NASA NTRS1999

Influence of Transport on Two-Dimensional Model Simulation: 2. Stratospheric Aircraft Perturbations: Stratospheric Aircraft Perturbations - 2

We have adopted the transport scenarios used in Part 1 to examine the sensitivity of stratospheric aircraft perturbations to transport changes in our 2-D model. Changes to the strength of the residual circulation in the upper troposphere and stratosphere and changes to the lower stratospheric K(sub zz) had similar effects in that increasing the transport rates decreased the overall stratospheric residence time and reduced the magnitude of the negative perturbation response in total ozone. Increasing the stratospheric K(sub yy) increased the residence time and enhanced the global scale negative total ozone response. However, increasing K(sub yy) along with self-consistent increases in the corresponding planetary wave drive, which leads to a stronger residual circulation, more than compensates for the K(sub yy)-effect, and results in a significantly weaker perturbation response, relative to the base case, throughout the stratosphere. We found a relatively minor model perturbation response sensitivity to the magnitude of K(sub yy) in the tropical stratosphere, and only a very small sensitivity to the magnitude of the horizontal mixing across the tropopause and to the strength of the mesospheric gravity wave drag and diffusion. These transport simulations also revealed a generally strong correlation between passive NO(sub y) accumulation and age of air throughout the stratosphere, such that faster transport rates resulted in a younger mean age and a smaller NO(y) mass accumulation. However, specific variations in K(sub yy) and mesospheric gravity wave strength exhibited very little NO(sub y)-age correlation in the lower stratosphere, similar to 3-D model simulations performed in the recent NASA "Models and Measurements" II analysis. The base model transport, which gives the most favorable overall comparison with inert tracer observations, simulated a global/annual mean total ozone response of -0.59%, with only a slightly larger response in the northern compared to the southern hemisphere. For transport scenarios which gave tracer simulations within some agreement with measurements, the annual/globally averaged total ozone response ranged from -0.45% to -0.70%. Our previous 1995 model exhibited overly fast transport rates, resulting in a global/annually averaged perturbation total ozone response of -0.25%, which is significantly weaker compared to the 1999 model. This illustrates how transport deficiencies can bias model simulations of stratospheric aircraft.

Fleming, Eric L.↗
NASA NTRS1989

A case study of wave-current interaction near an oceanic front

High resolution directional wave spectrum data were obtained from two NASA airborne radars during the Frontal Air-Sea Interaction Experiment in February 1986. The observations show a significant change in the wave number spectrum across the front. On the basis of surveys from a towed sensor and on satellite imagery, the front location and current field are estimated. A numerical model is developed for the wave-current interaction and is used to model the wave refraction across the frontal current. A parametric study is performed to demonstrate the effects of current meandering. The main consequence of meandering is the formation of caustics and shadow zone regions in which the wave energy is significantly enhanced or reduced. Spectral simulation along the aircraft track reveals a reduction of more that 60 percent in wave energy in the shadow zone; this is consistent with the observations.

Liu, A. K.↗
NASA NTRS1990

Evolution equation for infinitesimal rotational discontinuities

An evolution equation in the form of a modified Korteweg-de Vries equation is developed which describes the small-amplitude version of the infinitesimal rotational discontinuity (RD) studied by Wang and Sonnerup (1984). It is shown that the small-amplitude version of the equilibrium pulse solution obtained by Wang and Sonnerup is metastable and thus unlikely to arise spontaneously. When the initial pulse amplitude is smaller than and/or the initial pulse width is greater than the equilibrium value, the pulse decays. When the reverse is the case, the pulse is converted to an infinitesimal intermediate-mode solitary wave having greater pulse amplitude and speed. A simulation experiment is performed in which one of the equilibrium intermediate-mode solitary waves overtakes another, less rapidly moving version of the same wave. The existence of multipeaked intermediate-mode solitary pulses is demonstrated.

Sonnerup, B. U. O.↗