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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Radar optimization for sea surface and geodetic measurements

The efficient estimation of geoid and sea state parameters is discussed, and the optimum processing structures, including maximum likelihood estimators, and their accuracy limits are given for a model. The model accounts for random surface reflectivity, sea height, and additive noise, and allows for arbitrary radar system parameters, based on the assumption the received signal is a sample function of a normal random process. The integral equation associated with the Gaussian signal in Gaussian noise inference problem was solved. It is shown that the optimum processing is generally a mixture of coherent and incoherent integrations which may be viewed as a weighted summation of received power of the match-filtered received data. When estimates are correlated, the strongest correlation appears between geoid and asymmetry estimates, and between wave height standard deviation and reflectivity estimates.

Harger, R. O.↗
NASA NTRS1981

Analytical description of charged particle transport along arbitrary guiding-field configurations

Focused particle transport is analyzed in terms of partial differential equations which are applicable to arbitrary spatial variations of the mean free path and the focusing length. A distribution function for transport is written in two forms of the Boltzmann equation and a coefficient of spatial diffusion is defined. Changes from a nearly coherent propagation of flare particles in regions of strong focusing near the sun to ordinary diffusion in the outer solar system are described as supercoherent transitions. A solution to the steady state problem is developed and results are presented for a monopolar guiding field configuration with isotropic diffusion gradually giving way to anisotropy in a region suggestive of a collimated beam of particles streaming away from its source.

Earl, J. A.↗
NASA NTRS1984

Fitting aerodynamic forces in the Laplace domain: An application of a nonlinear nongradient technique to multilevel constrained optimization

A technique which employs both linear and nonlinear methods in a multilevel optimization structure to best approximate generalized unsteady aerodynamic forces for arbitrary motion is described. Optimum selection of free parameters is made in a rational function approximation of the aerodynamic forces in the Laplace domain such that a best fit is obtained, in a least squares sense, to tabular data for purely oscillatory motion. The multilevel structure and the corresponding formulation of the objective models are presented which separate the reduction of the fit error into linear and nonlinear problems, thus enabling the use of linear methods where practical. Certain equality and inequality constraints that may be imposed are identified; a brief description of the nongradient, nonlinear optimizer which is used is given; and results which illustrate application of the method are presented.

Tiffany, S. H.↗
NASA NTRS1998

A Stable and Conservative Interface Treatment of Arbitrary Spatial Accuracy

Stable and accurate interface conditions are derived for the linear advection-diffusion equation. The conditions are functionally independent of the spatial order of accuracy and rely only on the form of the discrete operator. We focus on high-order finite-difference operators that satisfy the summation-by-parts (SBP) property. We prove that stability is a natural consequence of the SBP operators used in conjunction with the new boundary conditions. In addition, we show that the interface treatments are conservative. New finite-difference operators of spatial accuracy up to sixth order are constructed: these operators satisfy the SBP property. Finite-difference operators are shown to admit design accuracy (p(sup th)-order global accuracy) when (p - 1)(sup th)-order stencil closures are used near the boundaries if the physical boundary conditions are implemented to at least p(sup th)-order accuracy. Stability and accuracy are demonstrated on the nonlinear Burgers' equation for an twelve-subdomain problem with randomly distributed interfaces.

Carpenter, Mark H.↗
NASA NTRS2000

Aeroelastic Response of Swept Aircraft Wings in a Compressible Flow Field

The present study addresses the subcritical aeroelastic response of swept wings, in various flight speed regimes, to arbitrary time-dependent external excitations. The methodology based on the concept of indicial functions is carried out in time and frequency domains. As a result of this approach, the proper unsteady aerodynamic loads necessary to study the subcritical aeroelastic response of the open/closed loop aeroelastic systems, and of flutter instability, respectively are obtained. Validation of the aeroelastic model is provided, and applications to subcritical aeroelastic response to blast pressure signatures are illustrated. In this context, an original representation of the aeroelastic response in the phase-space is displayed, and pertinent conclusions on the implications of a number of selected parameters of the system are outlined.

Marzocca, Piergiovanni↗
NASA NTRS2003

Theory of Collective Intelligence

In this chapter an analysis of the behavior of an arbitrary (perhaps massive) collective of computational processes in terms of an associated "world" utility function is presented We concentrate on the situation where each process in the collective can be viewed as though it were striving to maximize its own private utility function. For such situations the central design issue is how to initialize/update the collective's structure, and in particular the private utility functions, so as to induce the overall collective to behave in a way that has large values of the world utility. Traditional "team game" approaches to this problem simply set each private utility function equal to the world utility function. The "Collective Intelligence" (COIN) framework is a semi-formal set of heuristics that recently have been used to construct private utility. functions that in many experiments have resulted in world utility values up to orders of magnitude superior to that ensuing from use of the team game utility. In this paper we introduce a formal mathematics for analyzing and designing collectives. We also use this mathematics to suggest new private utilities that should outperform the COIN heuristics in certain kinds of domains. In accompanying work we use that mathematics to explain previous experimental results concerning the superiority of COIN heuristics. In that accompanying work we also use the mathematics to make numerical predictions, some of which we then test. In this way these two papers establish the study of collectives as a proper science, involving theory, explanation of old experiments, prediction concerning new experiments, and engineering insights.

Nash equilibrium↗
NASA NTRS2013

Studies in Astronomical Time Series Analysis. VI. Bayesian Block Representations

This paper addresses the problem of detecting and characterizing local variability in time series and other forms of sequential data. The goal is to identify and characterize statistically significant variations, at the same time suppressing the inevitable corrupting observational errors. We present a simple nonparametric modeling technique and an algorithm implementing it-an improved and generalized version of Bayesian Blocks [Scargle 1998]-that finds the optimal segmentation of the data in the observation interval. The structure of the algorithm allows it to be used in either a real-time trigger mode, or a retrospective mode. Maximum likelihood or marginal posterior functions to measure model fitness are presented for events, binned counts, and measurements at arbitrary times with known error distributions. Problems addressed include those connected with data gaps, variable exposure, extension to piece- wise linear and piecewise exponential representations, multivariate time series data, analysis of variance, data on the circle, other data modes, and dispersed data. Simulations provide evidence that the detection efficiency for weak signals is close to a theoretical asymptotic limit derived by [Arias-Castro, Donoho and Huo 2003]. In the spirit of Reproducible Research [Donoho et al. (2008)] all of the code and data necessary to reproduce all of the figures in this paper are included as auxiliary material.

signal detection↗
NASA NTRS1977

Derivation of the chemical-equilibrium rate coefficient using scattering theory

Scattering theory is applied to derive the equilibrium rate coefficient for a general homogeneous chemical reaction involving ideal gases. The reaction rate is expressed in terms of the product of a number of normalized momentum distribution functions, the product of the number of molecules with a given internal energy state, and the spin-averaged T-matrix elements. An expression for momentum distribution at equilibrium for an arbitrary molecule is presented, and the number of molecules with a given internal-energy state is represented by an expression which includes the partition function.

Mickens, R. E.↗
DOE OSTI2022

Determination of Molecular Structure and Dynamics of Molten Salts by Advanced Neutron and X-ray Scattering Measurements and Computer Modeling

The design and development of fully functional Molten-Salt Reactors (MSR) require detailed knowledge of the molten salt properties in order to understand and predict the salt’s behavior. Fundamental properties of interest include molecular structure, speciation, and dynamics (such as diffusion coefficients) of salt components and dissolved corrosion and fission products. Computer modeling is necessary to predict changes in physical and chemical properties due to irradiation, burning of dissolved fuel, and corrosion. The modeling requires experimental data, and advanced neutron and x-ray scattering and spectroscopy provide the most reliable and direct determination of the structure (Pair-Distribution Functions, PDF), and dynamics of ions in the melt. This project dealt with both fluoride and chloride salts. The PDFs have been measured by a combination of neutron and x-ray diffraction. We utilized the techniques of isotope substitutions, a very powerful tool available for neutron-scattering, to extract the details of the liquid structure. Although similar measurements have been done before, modern advanced neutron and x-ray-scattering techniques allow collecting the data at much higher resolution and in a wider range of temperatures. Importantly, we were among the first to study fluoride salts by neutron scattering. The importance of impurities and their effects on salt properties have become apparent recently and so new methods of salt purification were developed. We took advantage of these developments to produce reliable data, which have been used for computer simulations of both clean salts and those with added fission and corrosion products most relevant for MSRs. Ab initio molecular dynamics simulations have been performed to understand the multi-component liquid solution, in particular solubility of impurities and thermodynamic interactions in relation to the ionic-cluster structure of the fluid. We applied machine learning to regress from the simulation and experimental data in order to develop a fast-acting model that can handle molten salt with an arbitrary (≥ 10) number of chemical elements and be able to predict chemical potential as a function of composition and temperature. This project resulted in a number of experimental and computer-simulation publications, a patent application, and numerous conference presentations (American Physical Society, American Chemical Society, and The Electrochemical Society among others). Multiple students and postdocs participated and collaborated on aspects of this project. This project seeded new collaborations between MIT and other institutions, such as the University of Massachusetts Lowell, the University of Illinois Urbana-Champaign, the University of California Berkeley, and Oak Ridge and Los Alamos National Labs. As such, this project has had a broad and lasting impact beyond its original scientific scope.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2003

Functional Flight Test Report for Positive Systems' ADAR System 5500 Sensor SN8 Linear

This report describes results of the functional flight test conducted with the Positive Systems' ADAR 5500 sensor system (serial number 8, linear configuration) near Winslow, Arizona on June 30 and July 1, 1999. The in-flight test is one component of the NASA Scientific Data Purchase (SDP) Validation and Verification (V&V) process. It allows to measure characteristics of the entire sensor system affected by both performance of the sensor during a flight and post-flight image processing. The following characteristics were analyzed: changes of dark digital numbers (DN's), radiometric linearity, signal-to-noise ratio (SNR), spatial resolution, and geolocation accuracy. The measured characteristics were compared with the image product specifications defined in the Positive Systems' SDP contract. Dependence of the dark DN's on several factors was analyzed, but no significant correlation was found. However, the observed changes in dark DN's were relatively small, which justifies usage of a constant value in the dark DN subtraction procedure during post-processing. Dependence of measured at-sensor, in-band radiance (in arbitrary units) on measured in-band ground reflectance is very well described by a linear function - The sensor fulfills the linearity requirement. Measured SNR values lower than the contract specifications, but accuracy of that test was possibly affected by non-uniformity of the employed gray-scale panels. The SNR values are generally sufficiently high for most applications. SNR can also be improved during standard flights by using longer exposure times. Full width at half maximum (FWHM) of an edge response derived line spread function was used as a measure of spatial resolution. FWHM was generally smaller than twice the ground sample distance (GSD), in agreement with the contract specifications. Accuracy of the geolocation information, which is provided for the particular images in a metadata file, was found to meet contract requirements as well.

Stanley, Tom↗
NASA NTRS2001

Models of Protocellular Structure, Function and Evolution

In the absence of any record of protocells, the most direct way to test our understanding, of the origin of cellular life is to construct laboratory models that capture important features of protocellular systems. Such efforts are currently underway in a collaborative project between NASA-Ames, Harvard Medical School and University of California. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures. The centerpiece of this project is a method for the in vitro evolution of protein enzymes toward arbitrary catalytic targets. A similar approach has already been developed for nucleic acids in which a small number of functional molecules are selected from a large, random population of candidates. The selected molecules are next vastly multiplied using the polymerase chain reaction.

New, Michael H.↗
NASA NTRS2001

Models of Protocellular Structure, Function and Evolution

In the absence of any record of protocells, the most direct way to test our understanding of the origin of cellular life is to construct laboratory models that capture important features of protocellular systems. Such efforts are currently underway in a collaborative project between NASA-Ames, Harvard Medical School and University of California. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures. The centerpiece of this project is a method for the in vitro evolution of protein enzymes toward arbitrary catalytic targets. A similar approach has already been developed for nucleic acids in which a small number of functional molecules are selected from a large, random population of candidates. The selected molecules are next vastly multiplied using the polymerase chain reaction. A mutagenic approach, in which the sequences of selected molecules are randomly altered, can yield further improvements in performance or alterations of specificities. Unfortunately, the catalytic potential of nucleic acids is rather limited. Proteins are more catalytically capable but cannot be directly amplified. In the new technique, this problem is circumvented by covalently linking each protein of the initial, diverse, pool to the RNA sequence that codes for it. Then, selection is performed on the proteins, but the nucleic acids are replicated. Additional information is contained in the original extended abstract.

New, Michael H.↗
DOE OSTI2024

Permutation-adapted complete and independent basis for atomic cluster expansion descriptors

Atomic cluster expansion (ACE) methods provide a systematic way to describe particle local environments of arbitrary body order. For practical applications it is often required that the basis of cluster functions be symmetrized with respect to rotations and permutations. Existing methodologies yield sets of symmetrized functions that are over-complete. These methodologies thus require an additional numerical procedure, such as singular value decomposition (SVD), to eliminate redundant functions. In this work, it is shown that analytical linear relationships for subsets of cluster functions may be derived using recursion and permutation properties of generalized Wigner symbols. From these relationships, subsets (blocks) of cluster functions can be selected such that, within each block, functions are guaranteed to be linearly independent. It is conjectured that this block-wise independent set of permutation-adapted rotation and permutation invariant (PA-RPI) functions forms a complete, independent basis for ACE. Along with the first analytical proofs of block-wise linear dependence of ACE cluster functions and other theoretical arguments, numerical results are offered to demonstrate this. The utility of the method is demonstrated in the development of an ACE interatomic potential for tantalum. Using the new basis functions in combination with Bayesian compressive sensing sparse regression, some high degree descriptors are observed to persist and help achieve high-accuracy models.

Angular momentum↗
DOE OSTI2020

First Principles Nonadiabatic Excited-State Molecular Dynamics in NWChem

Computational simulation of non-adiabatic molecular dynamics is an indispensable tool for understanding complex photoinduced processes such as internal conversion, energy transfer, charge separation, and spatial localization of excitons, to name a few. Here, we report an implementation of the fewest-switches surface hopping algorithm in the NWChem computational chemistry program. Here the surface hopping method is combined with linear-response time-dependent density functional theory calculations of adiabatic excited state potential energy surfaces. To treat quantum transitions between arbitrary electronic Born{Oppenheimer states, we have implemented both numerical and analytical differentiation schemes for derivative non-adiabatic couplings. A numerical approach for the time-derivative non-adiabatic couplings together with an analytical method for calculating non-adiabatic coupling vectors is an efficient combination for surface hopping approaches. Additionally, electronic decoherence schemes and a state reassigned unavoided crossings algorithm are also implemented to improve the accuracy of the simulated dynamics and to handle trivial unavoided crossings. We apply our code to study the ultrafast decay of photoexcited benzene, including a detailed analysis of the potential energy surface, population decay time scales, and vibrational coordinates coupled to the excitation dynamics. The development presented in this work is a baseline for future implementations of more sophisticated frameworks for simulating of non-adiabatic molecular dynamics in NWChem.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ten-moment fluid model for low-temperature magnetized plasmas

In this paper, a one-dimensional 10-moment multi-fluid plasma model is developed and applied to low-temperature magnetized plasmas. The 10-moment model solves for six anisotropic pressure terms, in addition to density and three components of fluid momentum, which allows the model to capture finite kinetic effects. The results are benchmarked against a 5-moment model, which assumes that the gas constituents follow a Maxwellian velocity distribution function (VDF), and a particle-in-cell Monte Carlo collision model that allows for arbitrary non-Maxwellian VDFs. The models are compared in a one-dimensional, low-temperature, partially magnetized plasma test case. The 10-moment results accurately reproduce the anisotropic temperature profile in low-temperature magnetized plasmas, where shear gradients exist due to the E×B drift. We discuss the mechanisms by which the anisotropic pressure can be generated in low-temperature magnetized plasmas. In addition, the importance of a self-consistent heat flux closure to the 10-moment model is studied, showing consistency with other models only when the assumptions of the underlying model are met. The 10-moment model allows for study of electron inertia effects and non-Maxwellian VDFs without the need for kinetic methods that are more computationally expensive.

Kuldinow, Derek Amur (ORCID:0000000319730196)↗
NASA NTRS1971

A topological approach to computer-aided sensitivity analysis

Sensitivities of any arbitrary system are calculated using general purpose digital computer with available software packages for transfer function analysis. Sensitivity shows how element variation within system affects system performance. Signal flow graph illustrates topological system behavior and relationship among parameters in system.

Chan, S. P.↗
NASA NTRS1974

Modern control techniques in active flutter suppression using a control moment gyro

Development of organized synthesis techniques, using concepts of modern control theory was studied for the design of active flutter suppression systems for two and three-dimensional lifting surfaces, utilizing a control moment gyro (CMG) to generate the required control torques. Incompressible flow theory is assumed, with the unsteady aerodynamic forces and moments for arbitrary airfoil motion obtained by using the convolution integral based on Wagner's indicial lift function. Linear optimal control theory is applied to find particular optimal sets of gain values which minimize a quadratic performance function. The closed loop system's response to impulsive gust disturbances and the resulting control power requirements are investigated, and the system eigenvalues necessary to minimize the maximum value of control power are determined.

Buchek, P. M.↗
NASA NTRS1982

The motion of bubbles inside drops in containerless processing

A theoretical model of thermocapillary bubble motion inside a drop, located in a space laboratory, due to an arbitrary axisymmetric temperature distribution on the drop surface was constructed. Typical results for the stream function and temperature fields as well as the migration velocity of the bubble were obtained in the quasistatic limit. The motion of bubbles in a rotating body of liquid was studied experimentally, and an approximate theoretical model was developed. Comparison of the experimental observations of the bubble trajectories and centering times with theoretical predictions lends qualified support to the theory.

Shankar, N.↗