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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 73 records · Page 4

All sources NASA NTRS DOE OSTI

NASA NTRS2006

Using CO2:CO Correlations to Improve Inverse Analyses of Carbon Fluxes

Observed correlations between atmospheric concentrations of CO2 and CO represent potentially powerful information for improving CO2 surface flux estimates through coupled CO2-CO inverse analyses. We explore the value of these correlations in improving estimates of regional CO2 fluxes in east Asia by using aircraft observations of CO2 and CO from the TRACE-P campaign over the NW Pacific in March 2001. Our inverse model uses regional CO2 and CO surface fluxes as the state vector, separating biospheric and combustion contributions to CO2. CO2-CO error correlation coefficients are included in the inversion as off-diagonal entries in the a priori and observation error covariance matrices. We derive error correlations in a priori combustion source estimates of CO2 and CO by propagating error estimates of fuel consumption rates and emission factors. However, we find that these correlations are weak because CO source uncertainties are mostly determined by emission factors. Observed correlations between atmospheric CO2 and CO concentrations imply corresponding error correlations in the chemical transport model used as the forward model for the inversion. These error correlations in excess of 0.7, as derived from the TRACE-P data, enable a coupled CO2-CO inversion to achieve significant improvement over a CO2-only inversion for quantifying regional fluxes of CO2.

Palmer, Paul I.↗

NASA NTRS2012

On Dynamics of Spinning Structures

This paper provides details of developments pertaining to vibration analysis of gyroscopic systems, that involves a finite element structural discretization followed by the solution of the resulting matrix eigenvalue problem by a progressive, accelerated simultaneous iteration technique. Thus Coriolis, centrifugal and geometrical stiffness matrices are derived for shell and line elements, followed by the eigensolution details as well as solution of representative problems that demonstrates the efficacy of the currently developed numerical procedures and tools.

Rotating bodies↗

DOE OSTI2022

Analytic Gaussian covariance matrices for galaxy N-point correlation functions

Here, we derive analytic covariance matrices for the N-point correlation functions (NPCFs) of galaxies in the Gaussian limit. Our results are given for arbitrary N and projected onto the isotropic basis functions given by spherical harmonics and Wigner 3j symbols. A numerical implementation of the 4PCF covariance is compared to the sample covariance obtained from a set of lognormal simulations, Quijote dark matter halo catalogues, and MultiDark-Patchy galaxy mocks, with the latter including realistic survey geometry. The analytic formalism gives reasonable predictions for the covariances estimated from mock simulations with a periodic-box geometry. Furthermore, fitting for an effective volume and number density by maximizing a likelihood based on Kullback-Leibler divergence is shown to partially compensate for the effects of a nonuniform window function. Our result is recently shown to facilitate NPCF analysis on a realistic survey data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

Transformative Impacts of Laser-Induced Breakdown Spectroscopy on Environmental and Biological Research at Oak Ridge National Laboratory

This manuscript will present an advancement of transformative research that has been conducted at Oak Ridge National Laboratory (ORNL) over a 25-year period (2000–2025) on a variety of environmental and biological matrices. These investigations derived a fundamental understanding of how elemental detection and analysis of these matrices led to the knowledge and discovery of natural processes in plants and the environment. Each project led to the initiation of a new research area which unearthed awesome and novel breakthroughs. Highlights are listed below: 1. The preliminary research at ORNL centered on the detection of aerosols utilizing Laser-induced Breakdown Spectroscopy (LIBS) technology. The Clean Air Act Amendment (CAAA) of 1990 highlighted the importance of identifying hazardous air pollutants (HAPs) due to their impact on environmental and human health, thereby underscoring the need to detect various toxic elements. Research in aerosol chemistry aimed to identify these harmful elements released by factories during periods of increased emissions in their manufacturing processes. LIBS emerged as the most effective method for real-time, in situ measurements of metal species in both gaseous and aerosol phases. 2. An understanding of the presence of total carbon in soils gives perspective on how to develop carbon sequestration strategies. The recognition that carbon sinks can evolve back to carbon sources to emit back to the atmosphere was an important consideration. Also, the concentration of carbon in soil indicates the health of land areas for growing crops successfully. 3. The direct detection of most of the elements in a wood sample in a single emission spectrum, without sample preparation, encouraged the research to use the LIBS technique for preservative treated wood coupled with use of multivariate statistical methodology. Additionally, it encouraged the researchers to try to differentiate natural woods from different parts of the country, and it was successfully demonstrated that LIBS coupled with MVA analysis could differentiate wood of different species from each other and of similar species grown in different environments based on their elemental spectra. This was a breakthrough since it revealed a systematic approach to connect elemental scarcity and abundance to either drought or typical rainfall conditions for the hardwood trees grown in specific areas. 4. Furthermore, the research progressed to reveal physiological and developmental processes contributing to biomass production such that the variation in leaf elemental composition increases our understanding of terrestrial nutrient cycles, as well as tracking the transfer of toxic elements from soils to living organisms. 5. Recently another breakthrough viz., ionomics initiated the correlation of elements to specific genes, uncovering the function that the element performed in the plant. More recently, this has been extended from plants to fungi as well as fungi growing in symbiotic relations with plants.

09 BIOMASS FUELS↗

DOE OSTI2021

Efficient ptychographic phase retrieval via a matrix-free Levenberg-Marquardt algorithm

The phase retrieval problem, where one aims to recover a complex-valued image from far-field intensity measurements, is a classic problem encountered in a range of imaging applications. Modern phase retrieval approaches usually rely on gradient descent methods in a nonlinear minimization framework. Calculating closed-form gradients for use in these methods is tedious work, and formulating second order derivatives is even more laborious. Additionally, second order techniques often require the storage and inversion of large matrices of partial derivatives, with memory requirements that can be prohibitive for data-rich imaging modalities. We use a reverse-mode automatic differentiation (AD) framework to implement an efficient matrix-free version of the Levenberg-Marquardt (LM) algorithm, a longstanding method that finds popular use in nonlinear least-square minimization problems but which has seen little use in phase retrieval. Furthermore, we extend the basic LM algorithm so that it can be applied for more general constrained optimization problems (including phase retrieval problems) beyond just the least-square applications. Since we use AD, we only need to specify the physics-based forward model for a specific imaging application; the first and second-order derivative terms are calculated automatically through matrix-vector products, without explicitly forming the large Jacobian or Gauss-Newton matrices typically required for the LM method. We demonstrate that this algorithm can be used to solve both the unconstrained ptychographic object retrieval problem and the constrained “blind” ptychographic object and probe retrieval problems, under the popular Gaussian noise model as well as the Poisson noise model. We compare this algorithm to state-of-the-art first order ptychographic reconstruction methods to demonstrate empirically that this method outperforms best-in-class first-order methods: it provides excellent convergence guarantees with (in many cases) a superlinear rate of convergence, all with a computational cost comparable to, or lower than, the tested first-order algorithms.

36 MATERIALS SCIENCE↗

NASA NTRS1986

A combined integrating and differentiating matrix formulation for boundary value problems on rectangular domains

Integrating and differentiating matrices allow the numerical integration and differential of functions whose values are known at points of a discrete grid. Previous derivations of these matrices were restricted to one dimensional grids or to rectangular grids with uniform spacing in at least one direction. Integrating and differentiating matrices were developed for grids with nonuniform spacing in both directions. The use of these matrices as operators to reformulate boundary value problems on rectangular domains as matrix problems for a finite dimensional solution vector is considered. The method requires nonuniform grids which include near boundary points. An eigenvalue problem for the transverse vibrations of a simply supported rectangular plate is solved to illustrate the method.

Lakin, W. D.↗

NASA NTRS1986

A combined integrating- and differentiating-matrix formulation for boundary-value problems on rectangular domains

Lakin, W. D.↗

NASA NTRS1996

Asymptotic Waveform Evaluation (AWE) Technique for Frequency Domain Electromagnetic Analysis

The Asymptotic Waveform Evaluation (AWE) technique is applied to a generalized frequency domain electromagnetic problem. Most of the frequency domain techniques in computational electromagnetics result in a matrix equation, which is solved at a single frequency. In the AWE technique, the Taylor series expansion around that frequency is applied to the matrix equation. The coefficients of the Taylor's series are obtained in terms of the frequency derivatives of the matrices evaluated at the expansion frequency. The coefficients hence obtained will be used to predict the frequency response of the system over a frequency range. The detailed derivation of the coefficients (called 'moments') is given along with an illustration for electric field integral equation (or Method of Moments) technique. The radar cross section (RCS) frequency response of a square plate is presented using the AWE technique and is compared with the exact solution at various frequencies.

Cockrell, C. R.↗

NASA NTRS1975

A prefiltering version of the Kalman filter with new numerical integration formulas for Riccati equations

A prefiltering version of the Kalman filter is derived for both discrete and continuous measurements. The derivation consists of determining a single discrete measurement that is equivalent to either a time segment of continuous measurements or a set of discrete measurements. This prefiltering version of the Kalman filter easily handles numerical problems associated with rapid transients and ill-conditioned Riccati matrices. Therefore, the derived technique for extrapolating the Riccati matrix from one time to the next constitutes a new set of integration formulas which alleviate ill-conditioning problems associated with continuous Riccati equations. Furthermore, since a time segment of continuous measurements is converted into a single discrete measurement, Potter's square root formulas can be used to update the state estimate and its error covariance matrix. Therefore, if having the state estimate and its error covariance matrix at discrete times is acceptable, the prefilter extends square root filtering with all its advantages, to continuous measurement problems.

Womble, M. E.↗

NASA NTRS1994

Control of the SCOLE configuration using distributed parameter models

A continuum model for the SCOLE configuration has been derived using transfer matrices. Controller designs for distributed parameter systems have been analyzed. Pole-assignment controller design is considered easy to implement but stability is not guaranteed. An explicit transfer function of dynamic controllers has been obtained and no model reduction is required before the controller is realized. One specific LQG controller for continuum models had been derived, but other optimal controllers for more general performances need to be studied.

Hsiao, Min-Hung↗

DOE OSTI2025

On the Error Covariance Correction Step of an ESKF Attitude Update

The attitude states of an error-state Kalman filter (ESKF) behave differently than most other states in the system due to their multiplicative (rather than additive) nature. One way in which they differ is an error covariance correction step after an ESKF error reset, which is not required for, for example, position and velocity states. This covariance correction step is not intuitive, and it has only been recently derived for coordinate transform matrices. The author of this memo, however, found the provided derivation in [1] confusing due to a lack of clarity surrounding the invoked reference frames, and clarity is required as there are at least 4 different ways to parameterize small-angle attitude errors in an ESKF. Furthermore, while reproducing the work, the author of this memo found a more straightforward derivation that provides additional insight into the correction step. This memo offers a derivation of the attitude error covariance correction step of an ESKF, which pays specific attention to the coordinate reference frames.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory

Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the first principle description of many-electron dynamics in chemical and materials systems. Practical rt-TDDFT calculations often avoid the direct simulation of the von Neumann equation, and solve instead a set of Schrödinger equations, of which the dynamics is equivalent to that of the von Neumann equation. However, the time step size employed by the Schrödinger dynamics is often much smaller. Here, in order to improve the time step size and the overall efficiency of the simulation, we generalize a recent work of the parallel transport (PT) dynamics for simulating pure states [An, Lin, Multiscale Model. Simul. 18, 612, 2020] to general quantum states. The PT dynamics provides the optimal gauge choice, and can employ a time step size comparable to that of the von Neumann dynamics. Going beyond the linear and near adiabatic regime in previous studies, we find that the error of the PT dynamics can be bounded by certain commutators between Hamiltonians, density matrices, and their derived quantities. Such a commutator structure is not present in the Schrödinger dynamics. We demonstrate that the parallel transport-implicit midpoint (PT-IM) method is a suitable method for simulating the PT dynamics, especially when the spectral radius of the Hamiltonian is large. The commutator structure of the error bound, and numerical results for model rt-TDDFT calculations in both linear and nonlinear regimes, confirm the advantage of the PT dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Molecular insights into the in situ early-stage assembly of metal–organic frameworks on cellulose nanofibrils

The integration of metal–organic frameworks (MOFs) into renewable matrices, including those derived from cellulose, to create cellulose/MOF hybrids has attracted significant interest due to the synergistic combination of cellulosic biopolymer properties and MOFs' multifunctional features. The interfacial interactions between cellulose and MOF not only ensure stable bonding, but ultimately also determine the bulk physical properties of the macroscopic composites. However, the mechanistic understanding of the in situ assembly between the two materials remains unclear. In this study, we employ a combination study of synthesis, experimental characterization, and molecular dynamics simulations to explore the early-stage assembly of a cellulose/MOF hybrid. Our results revealed that the growth of MOF clusters on the 2,2,6,6-tetramethyl-1-piperidinyloxy oxidized cellulose nanofibrils (TOCNF) follows an inhomogeneous sequential transformation pathway. The carboxylates of TOCNF form coordination-like bonds with the metal ions, while the hydroxyl groups of TOCNF form hydrogen bonds with MOF ligands. These interactions provide the initial nucleation sites that mediate the growth of MOF clusters and also guide the assembly of larger MOF clusters onto the TOCNF substrate. In conclusion, the fundamental insights into the in situ assembly of MOF nanoparticles on cellulosic substrates are essential for the rational design of high-performance materials with tailored morphology and optimized properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1976

Development and evaluation of a Hadamard transform imaging spectrometer and a Hadamard transform thermal imager

A spectrometric imager and a thermal imager, which achieve multiplexing by the use of binary optical encoding masks, were developed. The masks are based on orthogonal, pseudorandom digital codes derived from Hadamard matrices. Spatial and/or spectral data is obtained in the form of a Hadamard transform of the spatial and/or spectral scene; computer algorithms are then used to decode the data and reconstruct images of the original scene. The hardware, algorithms and processing/display facility are described. A number of spatial and spatial/spectral images are presented. The achievement of a signal-to-noise improvement due to the signal multiplexing was also demonstrated. An analysis of the results indicates both the situations for which the multiplex advantage may be gained, and the limitations of the technique. A number of potential applications of the spectrometric imager are discussed.

Harwit, M.↗

NASA NTRS1976

Hadamard transform imager and imaging spectrometer

An imager and a spectrometric imager, which achieve multiplexing by the use of binary optical encoding masks, have been built and tested. The masks are based on orthogonal, pseudorandom digital codes derived from Hadamard matrices. The spatial (and/or spectral) data are therefore obtained in the form of a Hadamard transform of the spatial (and/or spectral) scene. Computer algorithms are used to decode the data and reconstruct images of the original scene. The hardware, algorithms processing and display facility are described. A number of spatial and spatial/spectral images, obtained in the laboratory, are presented.

Swift, R. D.↗

NASA NTRS1986

Research on Computational Fluid Dynamics and Turbulence

Preconditioning matrices for Chebyshev derivative operators in several space dimensions; the Jacobi matrix technique in computational fluid dynamics; and Chebyshev techniques for periodic problems are discussed.

Source record↗

NASA NTRS1992

Analyst variability in labeling of unsupervised classifications

Analyst variability in the labeling of unsupervised classifications is tested for Landsat 5 Thematic Mapper image products covering two test sites in southern California. The accuracy of results are tested using samples from a photo interpreted base map of the area. The significance of differences between analysts is indicated by comparing Kappa statistics derived from error matrices. Analyst variability is found to be statistically significant in most cases. Certain analysts provided consistently better results for a given study area or degree of training. This work demonstrates the potential influence of analyst bias on what would otherwise seem to be a fairly objective method and suggests that controls for this subjectivity should be factored into experimental designs.

Mcgwire, Kenneth C.↗

NASA NTRS1992

Incorporation of a priori gravity field information in satellite orbit determination using bin parameters

A method to determine satellite orbits using tracking data and a priori gravitational field is described. The a priori constraint on the orbit dynamics is determined by the covariance matrix of the spherical harmonic coefficients for the gravity model, so that the optimal combination of the measurements and gravitational field is achieved. A set of bin parameters is introduced to represent the perturbation of the gravitational field on the position of the satellite orbit. The covariance matrix of a conventional gravity model is transformed into that for the bin parameters by the variational partial derivatives. The covariance matrices of the bin parameters and the epoch state are combined to form the covariance matrix of the satellite positions at the measurement times. The combined matrix is used as the a priori information to estimate the satellite positions with measurements.

Wu, Jiun-Tsong↗