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At least 1,117 records · Page 62

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DOE OSTI2025

Physics-Driven Construction of Compact Primitive Gaussian Density Fitting Basis Sets

We present a model-assisted density fitting (MADF) basis set generator, an algorithm for generating primitive atomic Gaussian density fitting (DF) basis sets (DFBSs) from a contracted Gaussian orbital basis set (OBS). The MADF algorithm produces DFBSs suitable for accurate robust DF approximation of 2-particle interactions in mean-field and correlated electronic structures. The algorithm is designed to (a) saturate the OBS product space by a large regularized set of primitive solid-harmonic Gaussian shells with nonuniform distribution of exponents, followed by (b) pruning of the shells according to their contributions to the 2- body energy of a correlated atomic ensemble. Building the DFBS generator model almost exclusively on mathematical and physical principles allows one to limit the number of parameters that control the density fitting error to three, with a single set of parameters sufficient for computations with all basis cardinal numbers, with and without correlation of core electrons, with and without scalar and spin-dependent relativistic effects, spanning almost all of the Periodic Table. Performance assessment included basis sets up to quadruple-ζ quality from several major basis set families, using molecules composed of main-group, d-block, and f-block elements. The resulting DF errors in Hartree−Fock and second-order MP2 energies (with relativistic all-electron treatments, when appropriate) were on the order of 20 and 10 μE h per electron, respectively.

Approximation↗

NASA NTRS1991

Physically weighted approximations of unsteady aerodynamic forces using the minimum-state method

The Minimum-State Method for rational approximation of unsteady aerodynamic force coefficient matrices, modified to allow physical weighting of the tabulated aerodynamic data, is presented. The approximation formula and the associated time-domain, state-space, open-loop equations of motion are given, and the numerical procedure for calculating the approximation matrices, with weighted data and with various equality constraints are described. Two data weighting options are presented. The first weighting is for normalizing the aerodynamic data to maximum unit value of each aerodynamic coefficient. The second weighting is one in which each tabulated coefficient, at each reduced frequency value, is weighted according to the effect of an incremental error of this coefficient on aeroelastic characteristics of the system. This weighting yields a better fit of the more important terms, at the expense of less important ones. The resulting approximate yields a relatively low number of aerodynamic lag states in the subsequent state-space model. The formulation forms the basis of the MIST computer program which is written in FORTRAN for use on the MicroVAX computer and interfaces with NASA's Interaction of Structures, Aerodynamics and Controls (ISAC) computer program. The program structure, capabilities and interfaces are outlined in the appendices, and a numerical example which utilizes Rockwell's Active Flexible Wing (AFW) model is given and discussed.

Karpel, Mordechay↗

NASA NTRS1990

A new coherent demodulation technique for land-mobile satellite communications

An advanced coherent demodulation technique is described for land mobile satellite (LMS) communications. The proposed technique features a combined narrow/wind band dual open loop carrier phase estimator, which is effectively able to compensate the fast carrier phase fluctuation by fading with sacrificing a phase slip rate. Also included is the realization of quick carrier and clock reacquisition after shadowing by taking open loop structure. Its bit error rate (BER) performance is superior to that of existing detection schemes, showing a BER of 1 x 10(exp -2) at 6.3 dB E sub b/N sub o over the Rician channel with 10 dB C/M and 200 Hz (1/16 modulation rate) fading pitch f sub d for QPSK. The proposed scheme consists of a fast response carrier recovery and a quick bit timing recovery with an interpolation. An experimental terminal model was developed to evaluate its performance at fading conditions. The results are quite satisfactory, giving prospects for future LMS applications.

Yoshida, Shousei↗

NASA NTRS1990

Using input command pre-shaping to suppress multiple mode vibration

Spacecraft, space-borne robotic systems, and manufacturing equipment often utilize lightweight materials and configurations that give rise to vibration problems. Prior research has led to the development of input command pre-shapers that can significantly reduce residual vibration. These shapers exhibit marked insensitivity to errors in natural frequency estimates and can be combined to minimize vibration at more than one frequency. This paper presents a method for the development of multiple mode input shapers which are simpler to implement than previous designs and produce smaller system response delays. The new technique involves the solution of a group of simultaneous non-linear impulse constraint equations. The resulting shapers were tested on a model of MACE, an MIT/NASA experimental flexible structure.

Hyde, James M.↗

NASA NTRS1993

Adaptive laser link reconfiguration using constraint propagation

This paper describes Harris AI research performed on the Adaptive Link Reconfiguration (ALR) study for Rome Lab, and focuses on the application of constraint propagation to the problem of link reconfiguration for the proposed space based Strategic Defense System (SDS) Brilliant Pebbles (BP) communications system. According to the concept of operations at the time of the study, laser communications will exist between BP's and to ground entry points. Long-term links typical of RF transmission will not exist. This study addressed an initial implementation of BP's based on the Global Protection Against Limited Strikes (GPALS) SDI mission. The number of satellites and rings studied was representative of this problem. An orbital dynamics program was used to generate line-of-site data for the modeled architecture. This was input into a discrete event simulation implemented in the Harris developed COnstraint Propagation Expert System (COPES) Shell, developed initially on the Rome Lab BM/C3 study. Using a model of the network and several heuristics, the COPES shell was used to develop the Heuristic Adaptive Link Ordering (HALO) Algorithm to rank and order potential laser links according to probability of communication. A reduced set of links based on this ranking would then be used by a routing algorithm to select the next hop. This paper includes an overview of Constraint Propagation as an Artificial Intelligence technique and its embodiment in the COPES shell. It describes the design and implementation of both the simulation of the GPALS BP network and the HALO algorithm in COPES. This is described using a 59 Data Flow Diagram, State Transition Diagrams, and Structured English PDL. It describes a laser communications model and the heuristics involved in rank-ordering the potential communication links. The generation of simulation data is described along with its interface via COPES to the Harris developed View Net graphical tool for visual analysis of communications networks. Conclusions are presented, including a graphical analysis of results depicting the ordered set of links versus the set of all possible links based on the computed Bit Error Rate (BER). Finally, future research is discussed which includes enhancements to the HALO algorithm, network simulation, and the addition of an intelligent routing algorithm for BP.

Crone, M. S.↗

NASA NTRS2004

Validation of Design and Analysis Techniques of Tailored Composite Structures

Aeroelasticity is the relationship between the elasticity of an aircraft structure and its aerodynamics. This relationship can cause instabilities such as flutter in a wing. Engineers have long studied aeroelasticity to ensure such instabilities do not become a problem within normal operating conditions. In recent decades structural tailoring has been used to take advantage of aeroelasticity. It is possible to tailor an aircraft structure to respond favorably to multiple different flight regimes such as takeoff, landing, cruise, 2-g pull up, etc. Structures can be designed so that these responses provide an aerodynamic advantage. This research investigates the ability to design and analyze tailored structures made from filamentary composites. Specifically the accuracy of tailored composite analysis must be verified if this design technique is to become feasible. To pursue this idea, a validation experiment has been performed on a small-scale filamentary composite wing box. The box is tailored such that its cover panels induce a global bend-twist coupling under an applied load. Two types of analysis were chosen for the experiment. The first is a closed form analysis based on a theoretical model of a single cell tailored box beam and the second is a finite element analysis. The predicted results are compared with the measured data to validate the analyses. The comparison of results show that the finite element analysis is capable of predicting displacements and strains to within 10% on the small-scale structure. The closed form code is consistently able to predict the wing box bending to 25% of the measured value. This error is expected due to simplifying assumptions in the closed form analysis. Differences between the closed form code representation and the wing box specimen caused large errors in the twist prediction. The closed form analysis prediction of twist has not been validated from this test.

Jegley, Dawn C.↗

NASA NTRS1998

The Atmospheric Structure of Triton and Pluto

The goal of this research was to better determine the atmospheric structures of Triton and Pluto through further analysis of three occultation data sets obtained with the Kuiper Airborne Observatory (KAO.) As the research progressed, we concentrated our efforts on the Triton data, as this appeared to be the most fruitful. Three papers have been prepared as a result of this research. The first paper presents new results about Triton's atmospheric structure from the analysis of all ground-based stellar occultation data recorded to date, including one single-chord occultation recorded on 1993 July 10 and nine occultation lightcurves from the double-star event on 1995 August 14. These stellar occultation observations made both in the visible and in the infrared have good spatial coverage of Triton, including the first Triton central-flash observations, and are the first data to probe the altitude level 20-100 km on Triton. The small-planet lightcurve model of J. L. Elliot and L. A. Young was generalized to include stellar flux refracted by the far limb, and then fitted to the data. Values of the pressure, derived from separate immersion and emersion chords, show no significant trends with latitude, indicating that Triton's atmosphere is spherically symmetric at approximately 50 km altitude to within the error of the measurements; however, asymmetry observed in the central flash indicates the atmosphere is not homogenous at the lowest levels probed (approximately 20 km altitude). From the average of the 1995 occultation data, the equivalent isothermal temperature of the atmosphere is 47 plus or minus 1 K and the atmospheric pressure at 1400 km radius (approximately 50 km altitude) is 1.4 plus or minus 0.1 microbar. Both of these are not consistent with a model based on Voyager UVS and RSS observations in 1989. The atmospheric temperature from the occultation is 5 K colder than that predicted by the model and the observed pressure is a factor of 1.8 greater than the model. In our opinion, the disagreement in temperature and pressure is probably due to modeling problems at the microbar level, since measurements at this level have not previously been made. Alternatively, the difference could be due to seasonal change in Triton's atmospheric structure. The second paper reports observations of a recent stellar occultation by Triton which, when combined with earlier results, show that Triton has undergone a period of global warming since 1989. The most conservative estimates of the rate of temperature and surface-pressure increase during this period imply that the atmosphere is doubling in bulk every 10 years -- significantly faster than predicted by published frost model for Triton. Our results suggests that permanent polar caps on Triton play a dominant role in regulating seasonal atmospheric changes. Similar processes should also be active on Pluto. A third paper 'Global Warming on Triton' will appear in a the January 1999 issue of Sky and Telescope.

Elliot, James L.↗

NASA NTRS1987

A hierarchical structure for automatic meshing and adaptive FEM analysis

A new algorithm for generating automatically, from solid models of mechanical parts, finite element meshes that are organized as spatially addressable quaternary trees (for 2-D work) or octal trees (for 3-D work) is discussed. Because such meshes are inherently hierarchical as well as spatially addressable, they permit efficient substructuring techniques to be used for both global analysis and incremental remeshing and reanalysis. The global and incremental techniques are summarized and some results from an experimental closed loop 2-D system in which meshing, analysis, error evaluation, and remeshing and reanalysis are done automatically and adaptively are presented. The implementation of 3-D work is briefly discussed.

Kela, Ajay↗

DOE OSTI2021

Phase-curve Pollution of Exoplanet Transmission Spectra

The occurrence of a planet transiting in front of its host star offers the opportunity to observe the planet’s atmosphere filtering starlight. The fraction of occulted stellar flux is roughly proportional to the optically thick area of the planet, the extent of which depends on the opacity of the planet’s gaseous envelope at the observed wavelengths. Chemical species, haze, and clouds are now routinely detected in exoplanet atmospheres through rather small features in transmission spectra, i.e., collections of planet-to-star area ratios across multiple spectral bins and/or photometric bands. Technological advances have led to a shrinking of the error bars down to a few tens of parts per million (ppm) per spectral point for the brightest targets. The upcoming James Webb Space Telescope (JWST) is anticipated to deliver transmission spectra with precision down to 10 ppm. The increasing precision of measurements requires a reassessment of the approximations hitherto adopted in astrophysical models, including transit light-curve models. Recently, it has been shown that neglecting the planet’s thermal emission can introduce significant biases in the transit depth measured with the JWST/Mid-InfraRed Instrument, integrated between 5 and 12 μm. In this paper, we take a step forward by analyzing the effects of the approximation on transmission spectra over the 0.6–12 μm wavelength range covered by various JWST instruments. We present open-source software to predict the spectral bias, showing that, if not corrected, it may affect the inferred molecular abundances and thermal structure of some exoplanet atmospheres.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Moving closer to experimental level materials property prediction using AI

Abstract While experiments and DFT-computations have been the primary means for understanding the chemical and physical properties of crystalline materials, experiments are expensive and DFT-computations are time-consuming and have significant discrepancies against experiments. Currently, predictive modeling based on DFT-computations have provided a rapid screening method for materials candidates for further DFT-computations and experiments; however, such models inherit the large discrepancies from the DFT-based training data. Here, we demonstrate how AI can be leveraged together with DFT to compute materials properties more accurately than DFT itself by focusing on the critical materials science task of predicting “formation energy of a material given its structure and composition”. On an experimental hold-out test set containing 137 entries, AI can predict formation energy from materials structure and composition with a mean absolute error (MAE) of 0.064 eV/atom; comparing this against DFT-computations, we find that AI can significantly outperform DFT computations for the same task (discrepancies of $$>0.076$$ > 0.076 eV/atom) for the first time.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Flexible, integrated modeling of tokamak stability, transport, equilibrium, and pedestal physics

The STEP (Stability, Transport, Equilibrium, and Pedestal) integrated-modeling tool has been developed in OMFIT to predict stable, tokamak equilibria self-consistently with core-transport and pedestal calculations. STEP couples theory-based codes to integrate a variety of physics, including magnetohydrodynamic stability, transport, equilibrium, pedestal formation, and current-drive, heating, and fueling. The input/output of each code is interfaced with a centralized ITER-Integrated Modelling & Analysis Suite data structure, allowing codes to be run in any order and enabling open-loop, feedback, and optimization workflows. This paradigm simplifies the integration of new codes, making STEP highly extensible. STEP has been verified against a published benchmark of six different integrated models. Core-pedestal calculations with STEP have been successfully validated against individual DIII-D H-mode discharges and across more than 500 discharges of the H98,y2 database, with a mean error in confinement time from experiment less than 19%. STEP has also reproduced results in less conventional DIII-D scenarios, including negative-central-shear and negative-triangularity plasmas. Predictive STEP modeling has been used to assess performance in several tokamak reactors. Simulations of a high-field, large-aspect-ratio reactor show significantly lower fusion power than predicted by a zero-dimensional study, demonstrating the limitations of scaling-law extrapolations. STEP predictions have found promising scenarios for an EXhaust and Confinement Integration Tokamak Experiment, including a high-pressure, 80%-bootstrap-fraction plasma. ITER modeling with STEP has shown that pellet fueling enhances fusion gain in both the baseline and advanced-inductive scenarios. Finally, STEP predictions for the SPARC baseline scenario are in good agreement with published results from the physics basis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Multichannel deconvolution of vibrational signals: A state-space inverse filtering approach

Deconvolution of noisy measurements, especially when they are multichannel, has always been a challenging problem. The processing techniques developed range from simple Fourier methods to more sophisticated model-based parametric methodologies based on the underlying acoustics of the problem at hand. Methods relying on multichannel mean-squared error processors (Wiener filters) have evolved over long periods from the seminal efforts in seismic processing. However, when more is known about the acoustics, then model-based state-space techniques incorporating the underlying process physics can improve the processing significantly. The problems of interest are the vibrational response of tightly coupled acoustic test objects excited by an out-of-the-ordinary transient, potentially impairing their operational performance. Further, employing a multiple input/multiple output structural model of the test objects under investigation enables the development of an inverse filter by applying subspace identification techniques during initial calibration measurements. Feasibility applications based on a mass transport experiment and test object calibration test demonstrate the ability of the processor to extract the excitations successfully.

42 ENGINEERING↗

NASA NTRS1979

A structural model of the adaptive human pilot

A compensatory tracking model of the human pilot is offered which attempts to provide a more realistic representation of the human's signal processing structure than that which is exhibited by pilot models currently in use. Two features of the model distinguish it from other representations of the human pilot. First, proprioceptive information from the control stick or manipulator constitutes one of the major feedback paths in the model, providing feedback of vehicle output rate due to control activity. Implicit in this feedback loop is a model of the vehicle dynamics which is valid in and beyond the region of crossover. Second, error-rate information is continuously derived and independently but intermittently controlled. An output injected remnant model is offered and qualitatively justified on the basis of providing a measure of the effect of inaccuracies such as time variations in the pilot's internal model of the controlled element dynamics. The data from experimental tracking tasks involving five different controlled element dynamics and one nonideal viewing condition were matched with model generated describing functions and remnant power spectral densities.

Hess, R. A.↗

NASA NTRS1982

Tenth NASTRAN User's Colloquium

The development of the NASTRAN computer program, a general purpose finite element computer code for structural analysis, was discussed. The application and development of NASTRAN is presented in the following topics: improvements and enhancements; developments of pre and postprocessors; interactive review system; the use of harmonic expansions in magnetic field problems; improving a dynamic model with test data using Linwood; solution of axisymmetric fluid structure interaction problems; large displacements and stability analysis of nonlinear propeller structures; prediction of bead area contact load at the tire wheel interface; elastic plastic analysis of an overloaded breech ring; finite element solution of torsion and other 2-D Poisson equations; new capability for elastic aircraft airloads; usage of substructuring analysis in the get away special program; solving symmetric structures with nonsymmetric loads; evaluation and reduction of errors induced by Guyan transformation.

Source record↗

NASA NTRS1983

Research on the control of large space structures

The research effort on the control of large space structures at the University of Houston has concentrated on the mathematical theory of finite-element models; identification of the mass, damping, and stiffness matrix; assignment of damping to structures; and decoupling of structure dynamics. The objective of the work has been and will continue to be the development of efficient numerical algorithms for analysis, control, and identification of large space structures. The major consideration in the development of the algorithms has been the large number of equations that must be handled by the algorithm as well as sensitivity of the algorithms to numerical errors.

Denman, E. D.↗

NASA NTRS1987

Dual keel space station control/structures interaction study

A study was made to determine the influence of truss bay size on the performance of the space station control system. The objective was to determine if any control problems existed during reboost and to assess the level of potential control/structures interaction during operation of the control moment gyros used for vertical stabilization. The models analyzed were detailed finite-element representations of the 5 meter and 9 foot growth versions of the 300 kW dual keel station. Results are presented comparing the performance of the reboost control system for both versions of the space station. Standards for comparison include flexible effects at the attitude control sensor locations and flexible contributions to pointing error at the solar collectors. Bode analysis results are presented for the attitude control system and control, structural, and damping sensitivities are examined.

Young, John W.↗

NASA NTRS1991

Sensitivity of Space Station alpha joint robust controller to structural modal parameter variations

The photovoltaic array sun tracking control system of Space Station Freedom is described. A synthesis procedure for determining optimized values of the design variables of the control system is developed using a constrained optimization technique. The synthesis is performed to provide a given level of stability margin, to achieve the most responsive tracking performance, and to meet other design requirements. Performance of the baseline design, which is synthesized using predicted structural characteristics, is discussed and the sensitivity of the stability margin is examined for variations of the frequencies, mode shapes and damping ratios of dominant structural modes. The design provides enough robustness to tolerate a sizeable error in the predicted modal parameters. A study was made of the sensitivity of performance indicators as the modal parameters of the dominant modes vary. The design variables are resynthesized for varying modal parameters in order to achieve the most responsive tracking performance while satisfying the design requirements. This procedure of reoptimization design parameters would be useful in improving the control system performance if accurate model data are provided.

Kumar, Renjith R.↗

NASA NTRS2017

Detection of the Pairwise Kinematic Sunyaev-Zel'dovich Effect with BOSS DR11 and the Atacama Cosmology Telescope

We present a new measurement of the kinematic Sunyaev-Zel'dovich effect using data from the Atacama Cosmology Telescope (ACT) and the Baryon Oscillation Spectroscopic Survey (BOSS). Using 600 square degrees of overlapping sky area, we evaluate the mean pairwise baryon momentum associated with the positions of 50,000 bright galaxies in the BOSS DR11 Large Scale Structure catalog. A non-zero signal arises from the large-scale motions of halos containing the sample galaxies. The data fits an analytical signal model well, with the optical depth to microwave photon scattering as a free parameter determining the overall signal amplitude. We estimate the covariance matrix of the mean pairwise momentum as a function of galaxy separation, using microwave sky simulations, jackknife evaluation, and bootstrap estimates. The most conservative simulation-based errors give signal-to-noise estimates between 3.6 and 4.1 for varying galaxy luminosity cuts. We discuss how the other error determinations can lead to higher signal-to-noise values, and consider the impact of several possible systematic errors. Estimates of the optical depth from the average thermal Sunyaev-Zel'dovich signal at the sample galaxy positions are broadly consistent with those obtained from the mean pairwise momentum signal.

De Bernardis, F.↗