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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

On the functional dependence of transition-potential coupled cluster

Orbital relaxation of the core region is a primary source of error in the computation of core ionization and core excitation energies. Recently, Transition-Potential Coupled Cluster (TP-CC) methods have been used to explicitly treat orbital relaxation using non-variational molecular orbitals determined by reoccupation of orbitals optimized for a fractional core occupation. The amount of fractional occupation is governed by parameter λ, and recommended values for accurate TP-CCSD and XTP-CCSD computations of carbon, nitrogen, oxygen, and fluorine K edges were previously determined. Herein, we explore the performance of several density functionals for generating the fractionally occupied orbitals used in TP-CCSD. These functionals include HF, BP86, BH&HLYP, B3LYP, M06-2X, and ωB97m-V. The fractionally occupied orbitals computed across the various functionals were subsequently employed as the initial orbitals for our TP-CCSD calculations of organic K-edge x-ray absorption and photoelectron spectra. Regardless of the functional used to generate the fractionally occupied orbitals, the TP-CCSD calculations yield accurate and comparable core ionization energies, core excitation energies, and oscillator strengths.

Coupled-cluster methods↗
NASA NTRS1982

A grid spacing control technique for algebraic grid generation methods

A technique which controls the spacing of grid points in algebraically defined coordinate transformations is described. The technique is based on the generation of control functions which map a uniformly distributed computational grid onto parametric variables defining the physical grid. The control functions are smoothed cubic splines. Sets of control points are input for each coordinate directions to outline the control functions. Smoothed cubic spline functions are then generated to approximate the input data. The technique works best in an interactive graphics environment where control inputs and grid displays are nearly instantaneous. The technique is illustrated with the two-boundary grid generation algorithm.

Smith, R. E.↗
NASA NTRS1995

Flight test validation of a frequency-based system identification method on an F-15 aircraft

A frequency-based performance identification approach was evaluated using flight data from the NASA F-15 Highly Integrated Digital Electronic Control aircraft. The approach used frequency separation to identify the effectiveness of multiple controls simultaneously as an alternative to independent control identification methods. Fourier transformations converted measured control and response data into frequency domain representations. Performance gradients were formed using multiterm frequency matching of control and response frequency domain models. An objective function was generated using these performance gradients. This function was formally optimized to produce a coordinated control trim set. This algorithm was applied to longitudinal acceleration and evaluated using two control effectors: nozzle throat area and inlet first ramp. Three criteria were investigated to validate the approach: simultaneous gradient identification, gradient frequency dependency, and repeatability. This report describes the flight test results. These data demonstrate that the approach can accurately identify performance gradients during simultaneous control excitation independent of excitation frequency.

Schkolnik, Gerard S.↗
NASA NTRS2001

The 3D Recognition, Generation, Fusion, Update and Refinement (RG4) Concept

This paper describes an active (real time) recognition strategy whereby information is inferred iteratively across several viewpoints in descent imagery. We will show how we use inverse theory within the context of parametric model generation, namely height and spectral reflection functions, to generate model assertions. Using this strategy in an active context implies that, from every viewpoint, the proposed system must refine its hypotheses taking into account the image and the effect of uncertainties as well. The proposed system employs probabilistic solutions to the problem of iteratively merging information (images) from several viewpoints. This involves feeding the posterior distribution from all previous images as a prior for the next view. Novel approaches will be developed to accelerate the inversion search using novel statistic implementations and reducing the model complexity using foveated vision. Foveated vision refers to imagery where the resolution varies across the image. In this paper, we allow the model to be foveated where the highest resolution region is called the foveation region. Typically, the images will have dynamic control of the location of the foveation region. For descent imagery in the Entry, Descent, and Landing (EDL) process, it is possible to have more than one foveation region. This research initiative is directed towards descent imagery in connection with NASA's EDL applications. Three-Dimensional Model Recognition, Generation, Fusion, Update, and Refinement (RGFUR or RG4) for height and the spectral reflection characteristics are in focus for various reasons, one of which is the prospect that their interpretation will provide for real time active vision for automated EDL.

Maluf, David A.↗
NASA NTRS2018

GMI-IPS: Python Processing Software for Aircraft Campaigns

NASA's Atmospheric Tomography Mission (ATom) seeks to understand the impact of anthropogenic air pollution on gases in the Earth's atmosphere. Four flight campaigns are being deployed on a seasonal basis to establish a continuous global-scale data set intended to improve the representation of chemically reactive gases in global atmospheric chemistry models. The Global Modeling Initiative (GMI), is creating chemical transport simulations on a global scale for each of the ATom flight campaigns. To meet the computational demands required to translate the GMI simulation data to grids associated with the flights from the ATom campaigns, the GMI ICARTT Processing Software (GMI-IPS) has been developed and is providing key functionality for data processing and analysis in this ongoing effort. The GMI-IPS is written in Python and provides computational kernels for data interpolation and visualization tasks on GMI simulation data. A key feature of the GMI-IPS, is its ability to read ICARTT files, a text-based file format for airborne instrument data, and extract the required flight information that defines regional and temporal grid parameters associated with an ATom flight. Perhaps most importantly, the GMI-IPS creates ICARTT files containing GMI simulated data, which are used in collaboration with ATom instrument teams and other modeling groups. The initial main task of the GMI-IPS is to interpolate GMI model data to the finer temporal resolution (1-10 seconds) of a given flight. The model data includes basic fields such as temperature and pressure, but the main focus of this effort is to provide species concentrations of chemical gases for ATom flights. The software, which uses parallel computation techniques for data intensive tasks, linearly interpolates each of the model fields to the time resolution of the flight. The temporally interpolated data is then saved to disk, and is used to create additional derived quantities. In order to translate the GMI model data to the spatial grid of the flight path as defined by the pressure, latitude, and longitude points at each flight time record, a weighted average is then calculated from the nearest neighbors in two dimensions (latitude, longitude). Using SciPya's Regular Grid Interpolator, interpolation functions are generated for the GMI model grid and the calculated weighted averages. The flight path points are then extracted from the ATom ICARTT instrument file, and are sent to the multi-dimensional interpolating functions to generate GMI field quantities along the spatial path of the flight. The interpolated field quantities are then written to a ICARTT data file, which is stored for further manipulation. The GMI-IPS is aware of a generic ATom ICARTT header format, containing basic information for all flight campaigns. The GMI-IPS includes logic to edit metadata for the derived field quantities, as well as modify the generic header data such as processing dates and associated instrument files. The ICARTT interpolated data is then appended to the modified header data, and the ICARTT processing is complete for the given flight and ready for collaboration. The output ICARTT data adheres to the ICARTT file format standards V1.1. The visualization component of the GMI-IPS uses Matplotlib extensively and has several functions ranging in complexity. First, it creates a model background curtain for the flight (time versus model eta levels) with the interpolated flight data superimposed on the curtain. Secondly, it creates a time-series plot of the interpolated flight data. Lastly, the visualization component creates averaged 2D model slices (longitude versus latitude) with overlaid flight track circles at key pressure levels. The GMI-IPS consists of a handful of classes and supporting functionality that have been generalized to be compatible with any ICARTT file that adheres to the base class definition. The base class represents a generic ICARTT entry, only defining a single time entry and 3D spatial positioning parameters. Other classes inherit from this base class; several classes for input ICARTT instrument files, which contain the necessary flight positioning information as a basis for data processing, as well as other classes for output ICARTT files, which contain the interpolated model data. Utility classes provide functionality for routine procedures such as: comparing field names among ICARTT files, reading ICARTT entries from a data file and storing them in data structures, and returning a reduced spatial grid based on a collection of ICARTT entries. Although the GMI-IPS is compatible with GMI model data, it can be adapted with reasonable effort for any simulation that creates Hierarchical Data Format (HDF) files. The same can be said of its adaptability to ICARTT files outside of the context of the ATom mission. The GMI-IPS contains just under 30,000 lines of code, eight classes, and a dozen drivers and utility programs. It is maintained with GIT source code management and has been used to deliver processed GMI model data for the ATom campaigns that have taken place to date.

Damon, M. R.↗
DOE OSTI2026

FunDiff: diffusion models over function spaces for physics-informed generative modeling

Recent advances in generative modeling-particularly diffusion models and flow matching-have been widely used for synthesizing discrete data such as images and videos. However, adapting these models to physical applications remains challenging, as the quantities of interest are continuous functions governed by complex physical laws. To address this, we introduce FunDiff, an efficient and robust framework for generative modeling in function spaces. FunDiff combines a latent diffusion process with a function autoencoder architecture to handle input functions with varying discretizations, generates continuous functions that can be evaluated at arbitrary locations, and seamlessly incorporate physical priors. These priors are enforced through architectural constraints or physics-informed loss functions, ensuring that generated samples satisfy fundamental physical laws. We theoretically establish minimax optimality guarantees for density estimation in function spaces, demonstrating that diffusion-based estimators achieve optimal convergence rates under suitable regularity conditions. We further demonstrate the practical effectiveness of FunDiff across diverse applications in fluid dynamics and solid mechanics. Empirical results indicate that our method can generate physically consistent samples with high fidelity to the target distribution, and exhibit robustness to noisy and low-resolution data.

Wang, Sifan [Yale University, New Haven, CT (Unite↗
NASA NTRS1977

Ray trajectories in a torus: An application of MACSYMA to a complex numerical computation

The study of ray trajectories of plasma waves in a torodial geometry using MACSYMA is an example of how symbolic, numerical, and graphical facilities can be used in concert to accomplish a complex computational goal. Computational features of this study which are of particular significance include: the derivation of code (i.e. writing functions to generate program fragments), the use of array functions to simplify the specification of a numerical iteration scheme, and the graphical presentation of the results. Mathematically, this study originates in the solution of a linear inhomogeneous partial differential equation in 3 dimensions by the method of characteristics. While it is possible to describe this equation compactly by using vector notation, and by specifying the spatial variation of the coefficients in terms of intermediate parameters, the transformation of the equation into a form amenable to solution is very tedious. A MACSYMA program is presented for obtaining description of the rf field structure excited by a waveguide located at the edge of a toroidal plasma confinement device.

Kulp, J. L.↗
NASA NTRS1981

Simulation of large motions of nonuniform beams in orbit. I - The cantilever beam

An algorithm is developed for producing numerical simulations of large motions of a nonuniform cantilever beam in orbit. Special emphasis is given to the effective formulation of equations of motion and to the use of the finite element method to construct modal functions. Finite element methods are used to generate modal functions in such a way as to permit a particularly harmonious relationship to be established between the disciplines of rigid body dynamics and structural analysis. Sufficient information is provided to enable a reader to create, with relatively little effort, his own simulation program; simulation results are reported, both to provide check cases for other investigators and to illustrate certain important facets of the behavior of flexible spacecraft.

Levinson, D. A.↗
NASA NTRS1984

Tropospheric Delay Effects in Radio Interferometry

A new tropospheric mapping function is derived which is more accurate than previous mapping functions above elevations of 4 degrees. The error due to the given analytic approximation is estimated to be less than 0.02% for elevation angles larger than 6 degrees, (less than 0.4 cm at 6 degrees, and approximately 0.004% or 0.03 cm at 20 degrees). The mathematical expansion used in the derivation is valid for any laterally homogeneous atmospheric model of refractivity. The new mapping function, computer generated ray tracing tables and other mapping functions are compared. The results can be used in correcting for tropospheric delays of radio signals.

Lanyi, G.↗
NASA NTRS1996

Scattering and the Point Spread Function of the New Generation Space Telescope

Preliminary design work on the New Generation Space Telescope (NGST) is currently under way. This telescope is envisioned as a lightweight, deployable Cassegrain reflector with an aperture of 8 meters, and an effective focal length of 80 meters. It is to be folded into a small-diameter package for launch by an Atlas booster, and unfolded in orbit. The primary is to consist of an octagon with a hole at the center, and with eight segments arranged in a flower petal configuration about the octagon. The comers of the petal-shaped segments are to be trimmed so that the package will fit atop the Atlas booster. This mirror, along with its secondary will focus the light from a point source into an image which is spread from a point by diffraction effects, figure errors, and scattering of light from the surface. The distribution of light in the image of a point source is called a point spread function (PSF). The obstruction of the incident light by the secondary mirror and its support structure, the trimmed corners of the petals, and the grooves between the segments all cause the diffraction pattern characterizing an ideal point spread function to be changed, with the trimmed comers causing the rings of the Airy pattern to become broken up, and the linear grooves causing diffraction spikes running radially away from the central spot, or Airy disk. Any figure errors the mirror segments may have, or any errors in aligning the petals with the central octagon will also spread the light out from the ideal point spread function. A point spread function for a mirror the size of the NGST and having an incident wavelength of 900 nm is considered. Most of the light is confined in a circle with a diameter of 0.05 arc seconds. The ring pattern ranges in intensity from 10(exp -2) near the center to 10(exp -6) near the edge of the plotted field, and can be clearly discerned in a log plot of the intensity. The total fraction of the light scattered from this point spread function is called the total integrated scattering (TIS), and the fraction remaining is called the Strehl ratio. The angular distribution of the scattered light is called the angle resolved scattering (ARS), and it shows a strong spike centered on a scattering angle of zero, and a broad , less intense distribution at larger angles. It is this scattered light, and its effect on the point spread function which is the focus of this study.

Schreur, Julian J.↗
NASA NTRS1972

Computer generation of symbolic network functions - A new theory and implementation.

A new method is presented for obtaining network functions in which some, none, or all of the network elements are represented by symbolic parameters (i.e., symbolic network functions). Unlike the topological tree enumeration or signal flow graph methods generally used to derive symbolic network functions, the proposed procedure employs fast, efficient, numerical-type algorithms to determine the contribution of those network branches that are not represented by symbolic parameters. A computer program called NAPPE (for Network Analysis Program using Parameter Extractions) and incorporating all of the concepts discussed has been written. Several examples illustrating the usefulness and efficiency of NAPPE are presented.

Alderson, G. E.↗
NASA NTRS1980

Considerations in the placement of phase calibration tones

In the use of tones to calibrate unwanted instrumental phases for very long baseline interferometry experiments, certain problems exist which are related to the placement of these phase calibrator tones. (1) A bias exists in an analytically generated stopping function used during correlation if its frequency satisfies the following condition; f = (f sub s)x(m)/n, where f sub s = sampling frequency, m = any integer, and n = any odd integer. (2) Due to the quantized representation of sine waves in the stopping function, odd harmonics of the fundamental frequencies are generated. Several mechanisms are available through which these harmonics can cause errors in the residual phase extracted from the recorded tones. (3) When multiple tones are injected into a pass band, intermodulation products can occur. The magnitude of these effects is discussed along with strategies designed to avoid them.

Young, L. E.↗
NASA NTRS1995

An approach to efficient mobility management in intelligent networks

Providing personal communication systems supporting full mobility require intelligent networks for tracking mobile users and facilitating outgoing and incoming calls over different physical and network environments. In realizing the intelligent network functionalities, databases play a major role. Currently proposed network architectures envision using the SS7-based signaling network for linking these DB's and also for interconnecting DB's with switches. If the network has to support ubiquitous, seamless mobile services, then it has to support additionally mobile application parts, viz., mobile origination calls, mobile destination calls, mobile location updates and inter-switch handovers. These functions will generate significant amount of data and require them to be transferred between databases (HLR, VLR) and switches (MSC's) very efficiently. In the future, the users (fixed or mobile) may use and communicate with sophisticated CPE's (e.g. multimedia, multipoint and multisession calls) which may require complex signaling functions. This will generate volumness service handling data and require efficient transfer of these message between databases and switches. Consequently, the network providers would be able to add new services and capabilities to their networks incrementally, quickly and cost-effectively.

Murthy, K. M. S.↗
NASA NTRS1972

Engineering study for the functional design of a multiprocessor system

The results are presented of a study to generate a functional system design of a multiprocessing computer system capable of satisfying the computational requirements of a space station. These data management system requirements were specified to include: (1) real time control, (2) data processing and storage, (3) data retrieval, and (4) remote terminal servicing.

Miller, J. S.↗
NASA NTRS2006

Automated Synthesis of Architecture of Avionic Systems

The Architecture Synthesis Tool (AST) is software that automatically synthesizes software and hardware architectures of avionic systems. The AST is expected to be most helpful during initial formulation of an avionic-system design, when system requirements change frequently and manual modification of architecture is time-consuming and susceptible to error. The AST comprises two parts: (1) an architecture generator, which utilizes a genetic algorithm to create a multitude of architectures; and (2) a functionality evaluator, which analyzes the architectures for viability, rejecting most of the non-viable ones. The functionality evaluator generates and uses a viability tree a hierarchy representing functions and components that perform the functions such that the system as a whole performs system-level functions representing the requirements for the system as specified by a user. Architectures that survive the functionality evaluator are further evaluated by the selection process of the genetic algorithm. Architectures found to be most promising to satisfy the user s requirements and to perform optimally are selected as parents to the next generation of architectures. The foregoing process is iterated as many times as the user desires. The final output is one or a few viable architectures that satisfy the user s requirements.

Chau, Savio↗
NASA NTRS1983

Point spread function for a segmented mirror system

A procedure was developed to generate point spread functions for a segmented mirror system for a deployable reflector for submillimeter astronomy. These point spread functions were generated using ACCOS V and special purpose software. This procedure allows tilt and piston sensitivities to be evaluated. Point spread functions with tilt and piston errors are discussed.

Smith, S. T.↗
NASA NTRS2001

Calculation of the Scattering Amplitude Without Partial Wave Expansion

Two developments in the direct calculation of the angular differential scattering amplitude have been implemented: (a) The integral expansion of the scattering amplitude is simplified by analytically integration over the azimuthal angle. (b) The resulting integral as a function of scattering angle is calculated by using the numerically generated wave function from a finite element method calculation. Results for electron-hydrogen scattering in the static approximation will be shown to be as accurate as a partial wave expansion with as many l's as is necessary for convergence at the incident energy being calculated.

Shertzer, J.↗