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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Calculation of K-shell fluorescence yields for low-Z elements

The analytical methods based on X-ray fluorescence are advantageous for practical applications in a variety of fields including atomic physics, X-ray fluorescence surface chemical analysis and medical research and so the accurate fluorescence yields (ω{sub K}) are required for these applications. In this contribution we report a new parameters for calculation of K-shell fluorescence yields (ω{sub K}) of elements in the range of 11≤Z≤30. The experimental data are interpolated by using the famous analytical function (ω{sub k}/(1−ω{sub k})){sup 1/q} (were q=3, 3.5 and 4) vs Z to deduce the empirical K-shell fluorescence yields. A comparison is made between the results of the procedures followed here and those theoretical and other semi-empirical fluorescence yield values. Reasonable agreement was typically obtained between our result and other works.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Removing Dissolved Silica from Waste Water with Catechol and Active Carbon

Fresh water scarcity is going to be a global great challenge in the near future because of the increasing population. Our water resources are limited and, hence, water treatment and recycling methods are the only alternatives for fresh water procurement in the upcoming decades. Water treatment and recycling methods serve to remove harmful or problematic constituents from ground, surface and waste waters prior to its consumption, industrial supply, or other uses. Scale formation in industrial and domestic installations is still an important problem during water treatment. In water treatment, silica scaling is a real and constant concern for plant operations. The focus of this study is on the viability of using a combination of catechol and active carbon to remove dissolved silica from concentrated cooling tower water (CCTW). Various analytical methods, such as ICP-MS and UV-vis, were used to understand the structure-property relationship between the material and the silica removal results. UV-Vis indicates that catechol can react with silica ions and form a silica-catecholate complex. The speciation calculation of catechol and silica shows that catechol and silica bind in the pH range of 8 – 10; there is no evidence of linkage between them in neutral and acidic pHs. The silica removal results indicate that using ~4g/L of catechol and 10g/L active carbon removes up to 50% of the dissolved silica from the CCTW.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Product Consistency Test Leachate Data for Nepheline Scoping Study Glasses

In this report, the Savannah River National Laboratory provides chemical analysis for a series of leachates resulting from Product Consistency Tests of nepheline study glasses performed at the Pacific Northwest National Laboratory. A review of the standard solution data identified no issues with the analytical methods. The results of this scoping study will be used as part of an effort to better understand nepheline crystallization in high-level nuclear waste glasses with high concentrations of aluminum and sodium.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients

Abstract MF-LOGP, a new method for determining a single component octanol–water partition coefficients ( $$LogP$$ LogP ) is presented which uses molecular formula as the only input. Octanol–water partition coefficients are useful in many applications, ranging from environmental fate and drug delivery. Currently, partition coefficients are either experimentally measured or predicted as a function of structural fragments, topological descriptors, or thermodynamic properties known or calculated from precise molecular structures. The MF-LOGP method presented here differs from classical methods as it does not require any structural information and uses molecular formula as the sole model input. MF-LOGP is therefore useful for situations in which the structure is unknown or where the use of a low dimensional, easily automatable, and computationally inexpensive calculations is required. MF-LOGP is a random forest algorithm that is trained and tested on 15,377 data points, using 10 features derived from the molecular formula to make $$LogP$$ LogP predictions. Using an independent validation set of 2713 data points, MF-LOGP was found to have an average $$RMSE$$ RMSE = 0.77 ± 0.007, $$MAE$$ MAE = 0.52 ± 0.003, and $${R}^{2}$$ R 2 = 0.83 ± 0.003. This performance fell within the spectrum of performances reported in the published literature for conventional higher dimensional models ( $$RMSE$$ RMSE = 0.42–1.54, $$MAE$$ MAE = 0.09–1.07, and $${R}^{2}$$ R 2 = 0.32–0.95). Compared with existing models, MF-LOGP requires a maximum of ten features and no structural information, thereby providing a practical and yet predictive tool. The development of MF-LOGP provides the groundwork for development of more physical prediction models leveraging big data analytical methods or complex multicomponent mixtures. Graphical Abstract

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Determination of impurities in cubic boron nitride (cBN) by inductively coupled plasma mass spectrometry (ICPMS)

The phase stability of cBN is critically dependent on the content and amount of impurities present. While studies have shown qualitatively that the addition of certain impurities can either increase or decrease the cBN-hBN phase transition temperature, studies have yet to show this effect quantitatively. This is because analytical methods to characterize minor and trace impurities in cBN are currently lacking. To this end, we present flux fusion methods capable of fully digesting cBN samples for ICPMS analyses. The materials used in this study are commercially available cBN powders in three different sizes. Two types of fluxes (LiOH and NaOH·H 2 O) are utilized so that both Li and Na impurities can be determined. To ensure the accuracy of Si measurements, a column chromatography method has been developed to purify Si from flux materials in order to increase the amount of dissolved sample sent to the ICP. Detection limits have been determined using procedural blanks and are found to be below 20 μg/g for all 58 elements analyzed except for Si, for which the detection limit is 312 μg/g. Nonetheless, all cBN powders studied are found to have high Si impurity levels that are above detection limit. This study provides a much-needed analytical protocol to enable comprehensive screening of impurities in cBN.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Water narratives in local newspapers within the United States

Sustainable use of water resources continues to be a challenge across the globe. This is in part due to the complex set of physical and social behaviors that interact to influence water management from local to global scales. Analyses of water resources have been conducted using a variety of techniques, including qualitative evaluations of media narratives. This study aims to augment these methods by leveraging computational and quantitative techniques from the social sciences focused on text analyses. Specifically, we use natural language processing methods to investigate a large corpus (approx. 1.8M) of newspaper articles spanning approximately 35 years (1982–2017) for insights into human-nature interactions with water. Focusing on local and regional United States publications, our analysis demonstrates important dynamics in water-related dialogue about drinking water and pollution to other critical infrastructures, such as energy, across different parts of the country. Our assessment, which looks at water as a system, also highlights key actors and sentiments surrounding water. Extending these analytical methods could help us further improve our understanding of the complex roles of water in current society that should be considered in emerging activities to mitigate and respond to resource conflicts and climate change.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1983

Computation of internal flows: Methods and applications; Proceedings of the Energy Sources Technology Conference, New Orleans, LA, February 12-16, 1984

The present conference covers computational method applications, viscous-inviscid interaction techniques, viscous flow computational methods, and design-related methods. Attention is given to viscous flows in turbomachinery cascades, forbidden signals and apparent Mach numbers in supersonic cascades, the flow field in an engine particle separator, two-dimensional separated channel flows, turbulent separating flows over a rearward-facing step, the semielliptic analysis of two-dimensional internal and compressible viscous flows, spline solutions of the incompressible Navier-Stokes equations in a mildly nonorthogonal coordinate system, the design of highly loaded blades with blockage in cascade, and a finite analytic method for unsteady, three-dimensional Navier-Stokes equations.

Sockol, P. M.↗
DOE OSTI2021

Beryllium characterization in soils by selective extraction

In the present work, an analytical method has been developed for the determination of the amount of man-made beryllium metal and/or beryllium compounds in soil in addition to the amount of native beryllium that is present. The method is based on the premise that if high-fired beryllium oxide can be extracted efficiently, then beryllium metal and acid-soluble beryllium salts would also be extracted efficiently.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Non-uniform Stress-free Strains in a Spherically Symmetrical Nano-sized Particle and Its Applications to Lithium-ion Batteries

The stress-free strain originated from local chemical composition and phase transformation can significantly alter the microstructures of materials; and then affect their properties. In this paper, we developed an analytical method to calculate stress-strain field due to the non-uniform stress-free strain in a spherically symmetrical particle. Applying the method to a lithium ion (Li-ion) battery electrode, the evolution of Li-ion concentration and strain field during the lithiation process is studied. Our studies reveal that the maximum strain in the electrode generally occurs on surface of sample, and is mainly dependent on the difference of Li-ion concentration of surface and of center in sample. Decreasing the difference of Li-ion concentration can efficiently decrease the maximum strain so that cracks of electrodes can been prevented. Our analytical results provide a useful guidance for practical applications of energy storage materials.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Theory of the electronic structure of substitutional semiconductor alloys: Analytical approaches

Methods of predicting the electronic structure of disordered semiconductor alloys involving mainly isoelectronic substitution are reviewed. Special emphasis is placed on analytical methods of studying currently available models of alloys. An approximate equation for the localization threshold of electronic states in the Lifshitz model is considered, and the inaccuracy of this equation is estimated. The contributions of the perturbation potential of an individual impurity and of crystal-lattice distortions in the vicinity of the impurity center are analyzed on the basis of the Faddeev equations. The contributions of intrinsic impurity potentials and volume effects to the formation of the electronic structure of semiconductor alloys are esti- mated. Methods of calculating matrix elements of the perturbation potentials of isoelectronic impurities in alloys with consideration for deformation effects are considered. The procedure of calculating the compositional dependence of the band gap of multicomponent alloys is described. A comparative analysis of various methods for predicting the formation of electronic states bound at individual isoelectronic impurities in semiconductors is conducted. The theory of the energy spectrum of charged impurities in isoelectronic alloys is presented.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Current distribution in a three-dimensional IC analyzed by a perturbation method. Part 1: A simple steady state theory

The steady state current distribution in a three dimensional integrated circuit is presented. A device physics approach, based on a perturbation method rather than an equivalent lumped circuit approach, is used. The perturbation method allows the various currents to be expressed in terms of elementary solutions which are solutions to very simple boundary value problems. A Simple Steady State Theory is the subtitle because the most obvious limitation of the present version of the analysis is that all depletion region boundary surfaces are treated as equipotential surfaces. This may be an adequate approximation in some applications but it is an obvious weakness in the theory when applied to latched states. Examples that illustrate the use of these analytical methods are not given because they will be presented in detail in the future.

Edmonds, Larry D.↗
NASA NTRS1991

Photometric geodesy of main-belt asteroids. IV - An updated analysis of lightcurves for poles, periods, and shapes

The Drummond et al. (1988) analysis of main-belt asteroids is presently extended, using three independent methods to derive poles, periods, phase functions, and triaxial ellipsoid shapes from lightcurve maxima and minima. This group of 26 asteroids is also reinvestigated with a view to the distributions of triaxial shapes and obliquity distributions. Poles weakly tend to avoid asteroid orbital planes; a rough-smooth dichotomization appears to be justified by the persistence of two solar phase angle-amplitude relations. Seven of the objects may be Jacobi ellipsoids if axial ratios are slightly exaggerated by a systematic effect of the analytical method employed.

Drummond, J. D.↗
NASA NTRS2001

Response of the Alliance 1 Proof-of-Concept Airplane Under Gust Loads

This report presents the work performed by Lockheed Martin's Langley Program Office in support of NASA's Environmental Research Aircraft and Sensor Technology (ERAST) program. The primary purpose of this work was to develop and demonstrate a gust analysis method which accounts for the span-wise variation of gust velocity. This is important because these unmanned aircraft having high aspect ratios and low wing loading are very flexible, and fly at low speeds. The main focus of the work was therefore to perform a two-dimensional Power Spectrum Density (PSD) analysis of the Alliance 1 Proof-of-Concept Unmanned Aircraft, As of this writing, none of the aircraft described in this report have been constructed. They are concepts represented by analytical models. The process first involved the development of suitable structural and aeroelastic Finite Element Models (FEM). This was followed by development of a one-dimensional PSD gust analysis, and then the two-dimensional (PSD) analysis of the Alliance 1. For further validation and comparison, two additional analyses were performed. A two-dimensional PSD gust analysis was performed on a simplet MSC/NASTRAN example problem. Finally a one-dimensional discrete gust analysis was performed on Alliance 1. This report describes this process, shows the relevant comparisons between analytical methods, and discusses the physical meanings of the results.

Naser, A. S.↗
NASA NTRS1991

Comptonization of gamma rays by cold electrons

An analytic method is developed for calculating the emergent spectrum of gamma-rays and X-rays scattered in a homogeneous medium with low-temperature electrons. The Klein-Nishina corrections of the scattering cross section and absorption processes are taken in account. The wavelength relaxation and the spatial diffusion problems are solved separately, and the emergent spectrum is calculated by convolving the evolution function of the spectrum in an infinite medium with the photon luminosity resulting from the spatial diffusion in a finite sphere. The analytic results are compared with that of Monte Carlo calculations and it is concluded that the analytic result is quite accurate.

Xu, Yueming↗
NASA NTRS2010

Ultra-High Resolution Spectroscopic Remote Sensing: A Microscope on Planetary Atmospheres

Remote sensing of planetary atmospheres is not complete without studies of all levels of the atmosphere, including the dense cloudy- and haze filled troposphere, relatively clear and important stratosphere and the upper atmosphere, which are the first levels to experience the effects of solar radiation. High-resolution spectroscopy can provide valuable information on these regions of the atmosphere. Ultra-high spectral resolution studies can directly measure atmospheric winds, composition, temperature and non-thermal phenomena, which describe the physics and chemistry of the atmosphere. Spectroscopy in the middle to long infrared wavelengths can also probe levels where dust of haze limit measurements at shorter wavelength or can provide ambiguous results on atmospheric species abundances or winds. A spectroscopic technique in the middle infrared wavelengths analogous to a radio receiver. infrared heterodyne spectroscopy [1], will be describe and used to illustrate the detailed study of atmospheric phenomena not readily possible with other methods. The heterodyne spectral resolution with resolving power greater than 1,000.000 measures the true line shapes of emission and absorption lines in planetary atmospheres. The information on the region of line formation is contained in the line shapes. The absolute frequency of the lines can be measured to I part in 100 ,000,000 and can be used to accurately measure the Doppler frequency shift of the lines, directly measuring the line-of-sight velocity of the gas to --Im/s precision (winds). The technical and analytical methods developed and used to measure and analyze infrared heterodyne measurements will be described. Examples of studies on Titan, Venus, Mars, Earth, and Jupiter will be presented. 'These include atmospheric dynamics on slowly rotating bodies (Titan [2] and Venus [3] and temperature, composition and chemistry on Mars 141, Venus and Earth. The discovery and studies of unique atmospheric phenomena will also be described, such as non-thermal and lasing phenomena on Mars and Venus, mid-infrared aurora on Jupiter [5], and results of small body impacts on Jupiter [6]. The heterodyne technique can also be applied for detailed study of the Earth's stratosphere and mesosphere by measuring trace constituent abundances and temporal and spatial variability as well as winds, which provide information of transport. All ground-based measurements will be described as complementary and supporting studies for on-going and future space missions [7] (Mars Express, Venus Express, Cassini Huygens, JUNO, ExoMars Trace Gas Orbiter, and the Europa Jupiter System Mission, an Earth Science Venture Class missions), Proposed instrument and technology development for a space flight infrared heterodyne spectrometer will be described.

Kostiuk, Theodor↗
NASA NTRS2004

Modeling and Analysis of Large Amplitude Flight Maneuvers

Analytical methods for stability analysis of large amplitude aircraft motion have been slow to develop because many nonlinear system stability assessment methods are restricted to a state-space dimension of less than three. The proffered approach is to create regional cell-to-cell maps for strategically located two-dimensional subspaces within the higher-dimensional model statespace. These regional solutions capture nonlinear behavior better than linearized point solutions. They also avoid the computational difficulties that emerge when attempting to create a cell map for the entire state-space. Example stability results are presented for a general aviation aircraft and a micro-aerial vehicle configuration. The analytical results are consistent with characteristics that were discovered during previous flight-testing.

Anderson, Mark R.↗
NASA NTRS1992

Structural optimization of thin shells using finite element method

The objective of the present work was the structural optimization of thin shell structures that are subjected to stress and displacement constraints. In order to accomplish this, the structural optimization computer program DESAP1 was modified and improved. In the static analysis part of the DESAP1 computer program the torsional spring elements, which are used to analyze thin, shallow shell structures, were eliminated by modifying the membrane stiffness matrix of the triangular elements in the local coordinate system and adding a fictitious rotational stiffness matrix. This simplified the DESAP1 program input, improved the accuracy of the analysis, and saved computation time. In the optimization part of the DESAP1 program the stress ratio formula, which redesigns the thickness of each finite element of the structure, was solved by an analytical method. This scheme replaced the iterative solution that was previously used in the DESAP1 program, thus increasing the accuracy and speed of the design. The modified program was used to design a thin, cylindrical shell structure with optimum weight, and the results are reported in this paper.

Gotsis, Pascal K.↗
DOE OSTI2016

A Statistical Testing Approach for Quantifying Software Reliability; Application to an Example System

The U.S. Nuclear Regulatory Commission (NRC) encourages the use of probabilistic risk assessment (PRA) technology in all regulatory matters, to the extent supported by the state-of-the-art in PRA methods and data. Although much has been accomplished in the area of risk-informed regulation, risk assessment for digital systems has not been fully developed. The NRC established a plan for research on digital systems to identify and develop methods, analytical tools, and regulatory guidance for (1) including models of digital systems in the PRAs of nuclear power plants (NPPs), and (2) incorporating digital systems in the NRC's risk-informed licensing and oversight activities. Under NRC's sponsorship, Brookhaven National Laboratory (BNL) explored approaches for addressing the failures of digital instrumentation and control (I and C) systems in the current NPP PRA framework. Specific areas investigated included PRA modeling digital hardware, development of a philosophical basis for defining software failure, and identification of desirable attributes of quantitative software reliability methods. Based on the earlier research, statistical testing is considered a promising method for quantifying software reliability. This paper describes a statistical software testing approach for quantifying software reliability and applies it to the loop-operating control system (LOCS) of an experimental loop of the Advanced Test Reactor (ATR) at Idaho National Laboratory (INL).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗