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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Octahedral rotations in Ruddlesden-Popper layered oxides under pressure from first principles

The combination of reduced dimensionality and tunable structural distortions in layered perovskite oxides makes these materials ideal platforms for designing novel properties and functionalities. One example is hybrid improper ferroelectricity in n = 2 Ruddlesden-Popper oxides, where the combination of a layered crystal structure and rotations of the metal-oxide octahedra break symmetry and induce a polarization. Precisely controlling the octahedral rotation distortions, for example by the application of hydrostatic pressure, provides a pathway to tune and optimize the properties of these materials. Here we combine group theoretic methods, density functional theory calculations, and Landau theory analysis to investigate how octahedral rotations respond to pressure in the hybrid improper ferroelectrics Sr 3 Zr 2 O 7 , Ca 3 Ti 2 O 7 , and Sr 3 Sn 2 O 7 . We find that factors that are known to control the pressure response of ABO 3 perovskites—the formal charge of the A- and B-site cations, tolerance factor, and B-site chemistry—also impact the pressure response of these layered perovskites. We also show that coupling between the octahedral rotation and strain order parameters plays a key role in determining the overall pressure response. Despite some similarities, we find that these layered perovskites display a distinct pressure response compared to their ABO 3 perovskite analogs. By identifying trends and underlying mechanisms that control octahedral rotations in Ruddlesden-Popper oxides under pressure, this work lays the foundation for tailoring the structure and properties of these materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

AN INTEGRATED MODEL FOR THE PRODUCTION OF X-RAY TIME LAGS AND QUIESCENT SPECTRA FROM HOMOGENEOUS AND INHOMOGENEOUS BLACK HOLE ACCRETION CORONAE

Many accreting black holes manifest time lags during outbursts, in which the hard Fourier component typically lags behind the soft component. Despite decades of observations of this phenomenon, the underlying physical explanation for the time lags has remained elusive, although there are suggestions that Compton reverberation plays an important role. However, the lack of analytical solutions has hindered the interpretation of the available data. In this paper, we investigate the generation of X-ray time lags in Compton scattering coronae using a new mathematical approach based on analysis of the Fourier-transformed transport equation. By solving this equation, we obtain the Fourier transform of the radiation Green’s function, which allows us to calculate the exact dependence of the time lags on the Fourier frequency, for both homogeneous and inhomogeneous coronal clouds. We use the new formalism to explore a variety of injection scenarios, including both monochromatic and broadband (bremsstrahlung) seed photon injection. We show that our model can successfully reproduce both the observed time lags and the time-averaged (quiescent) X-ray spectra for Cyg X-1 and GX 339-04, using a single set of coronal parameters for each source. The time lags are the result of impulsive bremsstrahlung injection occurring near the outer edge of the corona, while the time-averaged spectra are the result of continual distributed injection of soft photons throughout the cloud.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1975

Dispersion forces at arbitrary distances

The formalism of Boehm and Yaris is used to evaluate explicitly the leading term of the London dispersion force between closed-shell atoms. Instead of using the usual multipole expansion, which breaks down at intermediate internuclear distances, an analytic representation of the Born amplitude together with a general angular momentum analysis is used. As a result, expressions are obtained which reduce to the usual dispersion forces at large distances and are finite at all distances.

Jacobi, N.↗
NASA NTRS1975

Interpretation of an urban scene using multi-channel radar imagery

Four channel, SLAR imagery was studied by a group of individuals having no previous experience with either SLAR imagery or the urban area under scrutiny. This tactic was used because it was desired to define the nature of training needed when introducing people to radar imagery of urban scenes. Responses resulting from interpretations based on standard photointerpretation methods were subjected to a Chi-square analysis to determine the level of significance of the interpretations. For the urban scene studied, and for the two wavelengths (X /3.0 cm/ and L /23.0 cm/ Band) and polarizations (HH and HV) used, several types of urban land use were easily and accurately identified. It is shown that little formal training is required for obtaining quite high interpretation accuracies from multi-channel radar images of some urban scenes.

Bryan, M. L.↗
NASA NTRS1991

Guaranteed properties of gain scheduled control for linear parameter-varying plants

Gain scheduling has proven to be a successful design methodology in many engineering applications. However, in the absence of a sound theoretical analysis, these designs come with no guarantees on the robustness, performance, or even nominal stability of the overall gain scheduled design. This paper presents such an analysis for one type of gain scheduled system, namely, a linear parameter-varying plant scheduling on its exogenous parameters. Conditions are given which guarantee that the stability, robustness, and performance properties of the fixed operating point designs carry over to the global gain scheduled design. These conditions confirm and formalize popular notions regarding gain scheduled design, such as the scheduling variable should 'vary slowly'.

Shamma, Jeff S.↗
NASA NTRS1993

Software Formal Inspections Standard

This Software Formal Inspections Standard (hereinafter referred to as Standard) is applicable to NASA software. This Standard defines the requirements that shall be fulfilled by the software formal inspections process whenever this process is specified for NASA software. The objective of this Standard is to define the requirements for a process that inspects software products to detect and eliminate defects as early as possible in the software life cycle. The process also provides for the collection and analysis of inspection data to improve the inspection process as well as the quality of the software.

Source record↗
NASA NTRS2013

A Statistical Theory of Bidirectionality

Original concepts related to the quantification and assessment of bidirectionality in strain-gage balances were introduced by Ulbrich in 2012. These concepts are extended here in three ways: 1) the metric originally proposed by Ulbrich is normalized, 2) a categorical variable is introduced in the regression analysis to account for load polarity, and 3) the uncertainty in both normalized and non-normalized bidirectionality metrics is quantified. These extensions are applied to four representative balances to assess the bidirectionality characteristics of each. The paper is tutorial in nature, featuring reviews of certain elements of regression and formal inference. Principal findings are that bidirectionality appears to be a common characteristic of most balance outputs and that unless it is taken into account, it is likely to consume the entire error budget of a typical balance calibration experiment. Data volume and correlation among calibration loads are shown to have a significant impact on the precision with which bidirectionality metrics can be assessed.

DeLoach, Richard↗
DOE OSTI2015

Analysis and simulation for a model of electron impact excitation/deexcitation and ionization/recombination

This paper describes a kinetic model and a corresponding Monte Carlo simulation method for excitation/deexcitation and ionization/recombination by electron impact in a plasma free of external fields. The atoms and ions in the plasma are represented by continuum densities and the electrons by a particle distribution. A Boltzmann-type equation is formulated and a corresponding H-theorem is formally derived. An efficient Monte Carlo method is developed for an idealized analytic model of the excitation and ionization collision cross sections. To accelerate the simulation, the reduced rejection method and binary search method are used to overcome the singular rate in the recombination process. Numerical results are presented to demonstrate the efficiency of the method on spatially homogeneous problems. The evolution of the electron distribution function and atomic states is studied, revealing the possibility under certain circumstances of system relaxation towards stationary states that are not the equilibrium states, a potential non-ergodic behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

The Public Health Service guidelines. Governing research involving human subjects: An analysis of the policy-making process

The policy making process which led to development of the Public Health Service Guidelines governing research involving human subjects is outlined. Part 1 examines the evolution of PHS Guidelines, tracing (1) evolution of thought and legal interpretation regarding research using human subjects; (2) initial involvement of the Federal government; (3) development of the government's research program; (4) the social-political environment in which formal government policy was developed; and (5) various policy statements issued by the government. Part 2 analyzes the process by which PHS Guidelines were developed and examines the values and other underlying factors which contributed to their development. It was concluded that the evolution of the Guidelines is best understood within the context of a mixed-scanning strategy. In such a strategy, policy makers make fundamental decisions regarding the basic direction of policy and subsequent decisions are made incrementally and within the contexts set by the original fundamental decisions.

Frankel, M. S.↗
NASA NTRS2019

Statistical Hypothesis Testing in Wavelet Analysis: Theoretical Developments and Applications to Indian Rainfall

Statistical hypothesis tests in wavelet analysis are methods that assess the degree to which a wavelet quantity(e.g., power and coherence) exceeds background noise. Commonly, a point-wise approach is adopted in which a wavelet quantity at every point in a wavelet spectrum is individually compared to the critical level of the point-wise test. However, because adjacent wavelet coefficients are correlated and wavelet spectra often contain many wavelet quantities, the point-wise test can produce many false positive results that occur in clusters or patches. To circumvent the point-wise test drawbacks, it is necessary to implement the recently developed area-wise, geometric, cumulative area-wise, and topological significance tests, which are reviewed and developed in this paper. To improve the computational efficiency of the cumulative area-wise test, a simplified version of the testing procedure is created based on the idea that its output is the mean of individual estimates of statistical significance calculated from the geometric test applied at a set of point-wise significance levels. Ideal examples are used to show that the geometric and cumulative area-wise tests are unable to differentiate wavelet spectral features arising from singularity-like structures from those associated with periodicities. A cumulative arc-wise test is therefore developed to strictly test for periodicities by using normalized arc length, which is defined as the number of points composing a cross section of a patch divided by the wavelet scale in question. A previously proposed topological significance test is formalized using persistent homology profiles (PHPs) measuring the number of patches and holes corresponding to the set of all point-wise significance values. Ideal examples show that the PHPs can be used to distinguish time series containing signal components from those that are purely noise. To demonstrate the practical uses of the existing and newly developed statistical methodologies, a first comprehensive wavelet analysis of Indian rainfall is also provided. An R software package has been written by the author to implement the various testing procedures.

Wind speed↗
DOE OSTI2023

Loop-by-loop differential equations for dual (elliptic) Feynman integrals

We present a loop-by-loop method for computing the differential equations of Feynman integrals using the recently developed dual form formalism. We give explicit prescriptions for the loop-by-loop fibration of multi-loop dual forms. Then, we test our formalism on a simple, but non-trivial, example: the two-loop three-mass elliptic sunrise family of integrals. We obtain an ε-form differential equation within the correct function space in a sequence of relatively simple algebraic steps. In particular, none of these steps relies on the analysis of q-series. Then, we discuss interesting properties satisfied by our dual basis as well as its simple relation to the known ε-form basis of Feynman integrands. The underlying K3-geometry of the three-loop four-mass sunrise integral is also discussed. Finally, we speculate on how to construct a “good” loop-by-loop basis at three-loop.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Broad Applicability of Electrochemical Impedance Spectroscopy to the Measurement of Oxygen Nonstoichiometry in Mixed Ion and Electron Conductors

Oxygen non-stoichiometry is a fundamental feature of mixed ion and electron conductors (MIECs). In this work a general electrochemical method for determining non-stoichiometry in thin film MIECs, via measurement of the chemical capacitance, is demonstrated using ceria and ceria-zirconia (Ce 0.8 Zr 0.2 O 2-δ ) as representative materials. A.C. impedance data are collected from both materials at high temperature (750-900 °C) under reducing conditions with oxygen partial pressure (pO 2 ) in the range 10-13 to 10-20 atm. Additional measurements of ceria-zirconia films are made under relatively oxidizing conditions with pO 2 in the range 0.2 to 10 -4 atm and temperatures of 800-900 °C. Under reducing conditions, the impedance spectra are described by a simple circuit in which a resistor is in series with a resistor and capacitor in parallel, and thickness dependent measurements are used to resolve the capacitance into interfacial and chemical terms. Under more oxidizing conditions, the impedance spectra (of Ce 0.8 Zr 0.2 O 2-δ ) reveal an additional diffusional feature, which enables determination of the ionic resistance of the film in addition to the capacitance, and hence the transport properties. A generalized mathematical formalism is presented for recovering the non-stoichiometry from the chemical capacitance, without recourse to defect chemical models. The ceria non-stoichiometry values are in good agreement with literature values determined by thermogravimetric measurements but display considerably less scatter and are collected on considerably shorter timescales. Here, the thermodynamic analysis of Ce 0.8 Zr 0.2 O 2-δ corroborates earlier findings that introduction of Zr into ceria enhances its reducibility.

08 HYDROGEN↗
DOE OSTI2021

Geolocated dataset of Chinese overseas development finance

China is now the world's largest source of bilateral development finance and will likely continue to play a prominent role in sovereign lending through its multi-billion-dollar Belt and Road Initiative. This paper introduces major methodological enhancements in tracking this finance: the use of an original application programming interface (API) to gathers news in multiple languages; double verification of every record to ensure every finance commitment has been formalized; and visual geo-location to trace the precise footprint of every project. The resulting dataset enables economic, environmental, and social analyses with high-precision spatial accuracy, as well as spatiotemporal monitoring by project stakeholders and enhanced planning by project managers. It covers the years 2008-2019 to enable analysis before and after the announcement of the Belt and Road Initiative. It includes 862 finance commitments, 669 of which have geographic location, to 94 countries across the world.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Conditional diffusion machine-learning framework for mapping valence electron distribution from convergent beam electron diffraction

Quantitative convergent beam electron diffraction (CBED) enables determination of aspherical valence electron distributions through refinement of low-order structure factors, which are highly sensitive to chemical bonding and charge density variations. However, conventional quantitative CBED (QCBED) requires solving a highly nonlinear inverse problem with many coupled parameters, and computationally intensive dynamical diffraction calculations, making it time-consuming and difficult to apply to complex systems. More broadly, reconstructing charge density and orbital electron distribution from diffraction data has long been a central challenge in both x-ray and electron crystallography. Here, in this study, we introduce an artificial-intelligence (AI)-based framework that replaces traditional refinement with a data-driven inverse solver. Using a large synthetic CBED dataset generated by Bloch-wave simulations, we train a conditional diffusion model to directly infer crystal structural parameters and multipole density formalism parameters, and hence valence electron distributions, from CBED patterns alone. By learning from forward simulations across realistic parameter space, the model effectively solves the inverse problem. Compared with direct regression approaches, the diffusion-based framework provides posterior parameter distributions for rigorous uncertainty quantification while preserving quantitative fidelity and reducing analysis time by orders of magnitude. By eliminating the need for external single-crystal x-ray diffraction data and complex nonlinear refinement, this approach enables practical, high-throughput, and in situ quantitative CBED, enabling real-time mapping of valence electron distributions and their correlation with functional responses in quantum and energy materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Survey of Current State of the Art Entity-Relation Extraction Tools

In the area of information extraction from text data, there exists a number of tools with the capability of extracting entities, topics, and their relationships with one another from both structured and unstructured text sources. Such information has endless uses in a number of domains, however, the solutions to getting this information are still in early stages and has room for improvement. The topic has been explored from a research perspective by academic institutions, as well as formal tool creation from corporations but has not made much advancement since the early 2000's. Overall, entity extraction, and the related topic of entity linking, is common among these tools, though with varying degrees of accuracy, while relationship extraction is more difficult to find and seems limited to same sentence analysis. In this report, we take a look at the top state of the art tools currently available and identify their capabilities, strengths, and weaknesses. We explore the common algorithms in the successful approaches to entity extraction and their ability to efficiently handle both structured and unstructured text data. Finally, we highlight some of the common issues among these tools and summarize the current ability to extract relationship information.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Blueprint: Coordinated Vulnerability Disclosure (CVD) Adoption for Information Sharing and Analysis Center (ISAC)-Like Groups

The electric vehicle supply equipment (EVSE) industry is an incredibly diverse set of participants (EVSE manufacturers, charge network operators (CNOs), original equipment manufacturers (OEMs), etc.), and with the potential for an Information Sharing and Analysis Centers (ISAC) or ISAC-like group, it requires a series of guidance for doing a multiparty coordinated vulnerability disclosure (CVD) such that a group like this could be successful. This blueprint provides a template and guidance to stakeholders in the EVSE industry for conducting a multiparty CVD. It also formalizes what multiparty CVD could look like in an ISAC-like group with multiple entities as well as vulnerability coordinators by specifically calling out who in the ISAC-like group may be involved, and which industry members it may apply to. This blueprint leverages tools such as Vultron, VINCE, etc. along with open resources such as the Software Engineering Institutes guide for coordinated vulnerability disclosure, for the stakeholder in the EVSE industry to start up a CVD program of their own.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Optimal placement of tuning masses for vibration reduction in helicopter rotor blades

Methods are presented for the reduction of helicopter rotor blade vibration through a formal mathematical optimization technique determination of optimum tuning mass sizes and locations; these are used as design variables that are systematically changed to achieve low values of shear without large mass penalty. Matrix expressions are obtained for the modal shaping parameter and modal shear amplitude that are required for FEM structural analysis of the blade as well as the optimization formulation. Sensitivity derivatives are also obtained. Three different optimization strategies are developed and tested.

Pritchard, Jocelyn I.↗
NASA NTRS1989

Probability of Failure and Risk Assessment of Propulsion Structural Components

Due to increasing need to account for the uncertainties in material properties, loading conditions, or geometries, a methodology was developed to determine structural reliability and the assess the risk associated with it. The methodology consists of a probabilistic structural analysis by a probabilistic finite element computer code Nonlinear Evaluation of Stochastic Structures Under Stress (NESSUS) and a generic probabilistic material properties model. The methodology is versatile and is equally applicable to high and cryogenic temperature structures. Results obtained demonstrate that the whole issue of structural reliability and risk can be formally evaluated using the methodology developed which is inclusive of uncertainties in material properties, structural parameters and loading conditions. The methodology is described in some detail with illustrative examples.

Shiao, Michael C.↗