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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 sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Dataset_for_Conserved_macromolecular_architecture_of_Poplar_secondary_cell_walls_revealed_by_ssNMR_and_atomistic_modeling

This dataset contains solid-state 13C NMR data and atomistic molecular dynamics simulation files supporting the study of nanoscale secondary cell wall architecture across 13 genetically diverse Populus trichocarpa genotypes grown under uniform greenhouse conditions in 13C-enriched CO2 atmospheres (~89% 13C enrichment).The dataset contains two collections of solid-state 13C NMR data. (1) 200 MHz data (Bruker Avance III HD, 4 mm HX probe, 10 kHz MAS): raw Bruker TopSpin experiment folders and DMFIT-exported ascii spectra for selective and non-selective 1D 13C-13C spin diffusion experiments (3000 ms mixing) used to quantify inter-polymer spatial proximities, and short-mixing (1 ms) reference spectra used for polymeric abundance quantification by spectral deconvolution. (2) 600 MHz data (Bruker Avance III, 1.6 mm PhoenixNMR HXY probe, 30 kHz MAS): raw Bruker TopSpin experiment folders containing 2D CORD, 2D CP-INADEQUATE, and 13C/1H relaxation (T1, T1rho) experiments for all 13 genotypes, with processed Excel workbooks per experiment type. Molecular dynamics simulation code, coordinate files, and analysis scripts (NAMD/CHARMM/Python) for six atomistic cell wall models are included. Summarized ssNMR data are compiled into a single excel file and subjected to statistical analysis. Multivariate analysis code (PCA, Pearson correlation) and summary data are provided as excel worksheets and Jupyter notebooks (Python 3).

09 BIOMASS FUELS↗
NASA NTRS1993

Lithologic discrimination and alteration mapping from AVIRIS Data, Socorro, New Mexico

Geologic maps are, by their very nature, interpretive documents. In contrasts, images prepared from AVIRIS data can be used as uninterpreted, and thus unbiased, geologic maps. We are having significant success applying AVIRIS data in this non-quantitative manner to geologic problems. Much of our success has come from the power of the Linked Windows Interactive Data System. LinkWinds is a visual data analysis and exploration system under development at JPL which is designed to rapidly and interactively investigate large multivariate data sets. In this paper, we present information on the analysis technique, and preliminary results from research on potassium metasomatism, a distinctive and structurally significant type of alteration associated with crustal extension.

Beratan, K. K.↗
NASA NTRS1993

Lithologic Discrimination and Alteration Mapping from AVIRIS Data, Socorro, New Mexico

Geologic maps are, by their very nature, interpretive documents. In contrast, images prepared from AVIRIS data can be used as uninterpreted, and thus unbiased, geologic maps. We are having significant success applying AVIRIS data in this non-quantitative manner to geologic problems. Much of our success has come from the power of the Linked Windows Interactive Data System. LinkWinds is a visual data analysis and exploration system under development at JPL which is designed to rapidly and interactively investigate large multivariate data sets. In this paper, we present information on the analysis technique, and preliminary results from research on potassium metasomatism, a distinctive and structurally significant type of alteration associated with crustal extension.

Chapin, C. E.↗
NASA NTRS1997

Analysis of Forest Foliage Using a Multivariate Mixture Model

Data with wet chemical measurements and near infrared spectra of ground leaf samples were analyzed to test a multivariate regression technique for estimating component spectra which is based on a linear mixture model for absorbance. The resulting unmixed spectra for carbohydrates, lignin, and protein resemble the spectra of extracted plant starches, cellulose, lignin, and protein. The unmixed protein spectrum has prominent absorption spectra at wavelengths which have been associated with nitrogen bonds.

Hlavka, C. A.↗
NASA NTRS2005

Self-Organizing-Map Program for Analyzing Multivariate Data

SOM_VIS is a computer program for analysis and display of multidimensional sets of Earth-image data typified by the data acquired by the Multi-angle Imaging Spectro-Radiometer [MISR (a spaceborne instrument)]. In SOM_VIS, an enhanced self-organizing-map (SOM) algorithm is first used to project a multidimensional set of data into a nonuniform three-dimensional lattice structure. The lattice structure is mapped to a color space to obtain a color map for an image. The Voronoi cell-refinement algorithm is used to map the SOM lattice structure to various levels of color resolution. The final result is a false-color image in which similar colors represent similar characteristics across all its data dimensions. SOM_VIS provides a control panel for selection of a subset of suitably preprocessed MISR radiance data, and a control panel for choosing parameters to run SOM training. SOM_VIS also includes a component for displaying the false-color SOM image, a color map for the trained SOM lattice, a plot showing an original input vector in 36 dimensions of a selected pixel from the SOM image, the SOM vector that represents the input vector, and the Euclidean distance between the two vectors.

Li, P. Peggy↗
DOE OSTI2021

Survey on stochastic distribution systems: A full probability density function control theory with potential applications

Complex systems seen either in general engineering practice or economics are subjected to ever increased uncertainties that are mostly represented as random variables or parameters, and the characteristics of random variables are represented by their probability density functions (PDFs). Controlling their PDFs means to shape their stochastic distributions and in general it would provide a full treatment for system analysis and operational control and optimization. This leads to the development of stochastic distribution control (SDC) systems theory in the past decades, where the original aim of the controller design is to realize a shape control of the distributions of certain random variables in their PDFs sense for some engineering processes. Indeed, once the PDFs of these random variables or parameters are used to describe their distribution characters, the control task is to obtain control signals so that the output PDFs of stochastic systems are made to follow their target PDFs. The subject of SDC was initially originated for non-Gaussian stochastic control systems design but has found a wide spectrum of applications in general systems in terms of data-driven modeling, analysis, signal processing (filtering), data mining via multivariable statistics, decision-making (optimization) for systems subjected to uncertainties and even in economics. In this context, SDC constitutes an effective primer tool for complex system analysis, control and operational optimizations. In this review paper, a detailed survey of the developments on the research of SDC systems will be made together with their wide spectrum applications and future perspectives.

42 ENGINEERING↗
DOE OSTI2024

Development of an Attenuated Total Reflectance–Ultraviolet–Visible Probe for the Online Monitoring of Dark Solutions

Optical spectroscopy is a valuable tool for on-line monitoring of a variety of processes. Ultraviolet-visible (UV-vis) spectroscopy in particular, can monitor the concentration of analytes as well as identify speciation and oxidation state. However, it can be difficult to impossible to employ UV-vis based sensors on chemical systems that are very dark (i.e., high optical density) as exceedingly short pathlengths are required (for transmission approaches) or effective means of backscattering are needed (for reflectance approaches). Examples of processes that would benefit significantly from the use of optical sensors and encounter these challenges include used nuclear fuel recycling and molten salts with high concentrations of dissolved uranium. Utilizing an attenuated total reflectance (ATR) UV-vis approach can overcome these challenges and allow for the measurement of solutions orders of magnitude more concentrated than transmission UV-vis. However, determining ideal sensor specifications for varied processes can be time consuming and expensive. Here, in this study, we evaluate the ability for a novel ATR-UV-vis probe to measure very concentrated solutions of Co(II) and Ni(II) nitrate as well as organic dyes (methylene blue, acid red 1, and crystal violet). This sensor design provides a modular method for exploring possible “pathlengths” by altering the exposed ATR fiber length. Also studied were approaches to loading and measuring the sensor cell. These results are compared to a traditional 1 cm cuvette measured by transmission UV-vis. It was found that the ATR-UV-vis probe was capable of measuring solutions 600 times more concentrated than the 1 cm cuvette. Advanced data analysis in the form of multivariate curve resolution (MCR) was used to analyze the speciation of methylene blue over a large concentration range. The application of this novel ATR-UV-vis probe to the interrogation of dark solutions is a promising avenue for use in on-line monitoring of nuclear processes.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Reducing the matrix effect in mass spectral imaging of biofilms using flow-cell culture

The interactions between soil microorganisms and soil minerals play a crucial role in the formation and evolution of minerals and the stability of soil aggregates. Due to the heterogeneity and diversity of the soil environment, the under-standing of the functions of bacterial biofilms in soil minerals at the microscale is limited. A soil mineral-bacterial biofilm system was used as a model in this study, and it was analyzed by time-of-flight secondary ion mass spectrometry (ToF-SIMS) to acquire molecular level information. Static culture in multi-wells and dynamic flow-cell culture in microfluidics of biofilms were investigated. Our results show that more characteristic molecules of biofilms can be observed in SIMS spectra of the flow-cell culture. In contrast, biofilm signature peaks are buried under the mineral components in SIMS spectra in the static culture case. Spectral overlay was used in peak selection prior to performing Principal component analysis (PCA). Comparisons of the PCA results between the static and flow-cell culture show more pronounced molecular features and higher loadings of organic peaks of the dynamic cultured specimens. For example, fatty acids secreted from bacterial biofilm extracellular polymeric substance are likely to be responsible for biofilm dispersal due to mineral treatment up to 48 h. Such findings suggest that the use of microfluidic cells to dynamically culture biofilms be a more suitable method for reducing the matrix effect arisen from the growth medium and minerals as a perturbation fac-tor for improved spectral and multivariate analysis of complex mass spectral data in ToF-SIMS. These results show that the interaction mechanism between biofilms and soil minerals at the molecular level can be better studied using the flow-cell culture and advanced mass spectral imaging techniques like ToF-SIMS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1979

A comparison of limited-area energetic processes between observations and primitive equation model predictions

Energetic analyses of the NMC initial conditions and NMC six-layer primitive equation operational prediction model 12-hr forecast for a developing cyclone are presented. Consideration is given to the total kinetic energy, the energetics of the divergent and nondivergent flows and the baroclinic (vertical shear flow) and barotropic (vertical mean flow) components of the kinetic energy. It is found that the model initial conditions lose 10-15% of the kinetic energy at various levels compared to a limited-area multivariate statistical analysis of the observational data, leading to a decrease in the horizontal kinetic energy flux, a misrepresentation of the synoptic scale wave system in the 12-hr forecast. Similar results are obtained for the nondivergent flow, while the divergent flow energetics are not reproduced accurately by the model. The horizontal flux terms of the vertical mean and vertical shear energetics are also not found to be reproduced in the upper levels, although horizontal flux contributions to the baroclinic component are improved at middle and lower levels. Finally, vertical shear kinetic energy generation is found to be well represented in the model prediction, however kinetic energy conversion between vertical shear and mean flow is not reproduced in the lower layer.

Alpert, J. C.↗
NASA NTRS1991

The manifold of globular clusters

A multivariate statistical analysis of a large data set on the Galactic globular clusters indicates that at least 4 (possibly 5 or 6) parameters are needed in order to describe fully the global properties of these objects. Some nontrivial correlations are present in the data, and are described in the text. One of them is the scaling relation between the luminosity and the central velocity dispersion, whose possible physical origin is briefly discussed. Many of the systematic trends found in the data suggest that dynamical effects played an important or even a dominant role in determining the present-day global properties of globular clusters.

Djorgovski, S.↗
DOE OSTI2024

Novel principal component analysis tool based on python for analysis of complex spectra of time-of-flight secondary ion mass spectrometry

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) is a powerful surface analysis tool, which can simultaneously provide elemental, isotopic, and molecular information with part per million (ppm) sensitivity. However, each spectrum may be composed of hundreds of ion signals, which makes the spectra data complex. Principal component analysis (PCA) is a multivariate analysis technique that has been widely used to figure out the variances among samples in ToF-SIMS spectra data analysis and is showing great success in the explanation of complex ToF-SIMS spectra. So far, several software tools have been developed for PCA of ToF-SIMS spectra; however, none of them are freely available. Such a situation leads to some difficulties in extending applications of PCA to various research fields. More importantly, it has long been challenging for common researchers to understand PCA plots and extract chemical differences among samples. In this work, we developed a new and flexible software tool (named “advanced spectra pca toolbox”) based on python for PCA of complex ToF-SIMS spectra along with an easy-to-read manual. It can generate data analysis reports automatically to explain chemical differences among samples, allowing less experienced researchers to easily understand tricky PCA results. Moreover, it is expandable and compatible with artificial intelligence/machine learning functions. Pure goethite and different lignin adsorbed goethite samples were used as a model system to demonstrate our new software tool, proving that our software tool can be readily used in complex spectra data processing. Our new software tool is open-source, convenient, flexible, and expandable. We expect this open-source tool will benefit the ToF-SIMS community.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Decoding the Mechanisms of Phase Transitions from In Situ Microscopy Observations

Abstract Analysis of the temperature‐ and stimulus‐dependent imaging data toward elucidation of the physical transformations is an ubiquitous problem in multiple fields. Here, temperature‐induced phase transition in BaTiO 3 is explored using the machine learning analysis of domain morphologies visualized via variable‐temperature scanning transmission electron microscopy (STEM) imaging data. This approach is based on the multivariate statistical analysis of the time or temperature dependence of the statistical descriptors of the system, derived in turn from the categorical classification of observed domain structures or projection on the continuous parameter space of the feature extraction‐dimensionality reduction transform. The proposed workflow offers a powerful tool for the exploration of the dynamic data based on the statistics of image representation as a function of the external control variable to visualize the transformation pathways during phase transitions and chemical reactions. This can include the mesoscopic STEM data as demonstrated here, but also optical, chemical imaging, etc., data. It can further be extended to the higher dimensional spaces, for example, analysis of the combinatorial libraries of materials compositions.

Valleti, Sai Mani Prudhvi↗
DOE OSTI2022

Modeling of Supercritical CO2 Shell-and-Tube Heat Exchangers Under Extreme Conditions. Part I: Correlation Development

Abstract High-temperature supercritical CO2 Brayton cycles are promising possibilities for future stationary power generation and hybrid electric propulsion applications. Heat exchangers are critical components in supercritical CO2 thermal cycles and require accurate correlations and comprehensive performance modeling under extreme temperatures and pressures. In this paper (Part I), new Colburn and friction factor correlations are developed to quantify shell-side heat transfer and friction characteristics of flow within heat exchangers in the shell-and-tube configuration. Using experimental and computational fluid dynamics (CFD) data sets from existing literature, multivariate regression analysis is conducted to achieve correlations that capture the effect of multiple critical geometric parameters. These correlations offer superior accuracy and versatility as compared to previous studies and predict the thermohydraulic performance of about 90% of the existing experimental and CFD data within ±15%. Supplementary thermohydraulic performance data are acquired from CFD simulations with supercritical CO2 as working fluid to validate the developed correlations and demonstrate its capability to be applied to supercrtical CO2 heat exchangers.

Engineering↗
DOE OSTI2020

Non-Gaussianity in the weak lensing correlation function likelihood – implications for cosmological parameter biases

ABSTRACT We study the significance of non-Gaussianity in the likelihood of weak lensing shear two-point correlation functions, detecting significantly non-zero skewness and kurtosis in 1D marginal distributions of shear two-point correlation functions in simulated weak lensing data. We examine the implications in the context of future surveys, in particular LSST, with derivations of how the non-Gaussianity scales with survey area. We show that there is no significant bias in 1D posteriors of Ωm and σ8 due to the non-Gaussian likelihood distributions of shear correlations functions using the mock data (100 deg2). We also present a systematic approach to constructing approximate multivariate likelihoods with 1D parametric functions by assuming independence or more flexible non-parametric multivariate methods after decorrelating the data points using principal component analysis (PCA). While the use of PCA does not modify the non-Gaussianity of the multivariate likelihood, we find empirically that the 1D marginal sampling distributions of the PCA components exhibit less skewness and kurtosis than the original shear correlation functions. Modelling the likelihood with marginal parametric functions based on the assumption of independence between PCA components thus gives a lower limit for the biases. We further demonstrate that the difference in cosmological parameter constraints between the multivariate Gaussian likelihood model and more complex non-Gaussian likelihood models would be even smaller for an LSST-like survey. In addition, the PCA approach automatically serves as a data compression method, enabling the retention of the majority of the cosmological information while reducing the dimensionality of the data vector by a factor of ∼5.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Symposium on Machine Processing of Remotely Sensed Data, Purdue University, West Lafayette, Ind., June 29-July 1, 1976, Proceedings

Papers are presented on the applicability of Landsat data to water management and control needs, IBIS, a geographic information system based on digital image processing and image raster datatype, and the Image Data Access Method (IDAM) for the Earth Resources Interactive Processing System. Attention is also given to the Prototype Classification and Mensuration System (PROCAMS) applied to agricultural data, the use of Landsat for water quality monitoring in North Carolina, and the analysis of geophysical remote sensing data using multivariate pattern recognition. The Illinois crop-acreage estimation experiment, the Pacific Northwest Resources Inventory Demonstration, and the effects of spatial misregistration on multispectral recognition are also considered. Individual items are announced in this issue.

Source record↗
NASA NTRS1982

The role of multispectral scanners as data sources for EPA hydrologic models

An estimated cost savings of 30% to 50% was realized from using LANDSAT-derived data as input into a program which simulates hydrologic and water quality processes in natural and man-made water systems. Data from the satellite were used in conjunction with EPA's 11-channel multispectral scanner to obtain maps for characterizing the distribution of turbidity plumes in Flathead Lake and to predict the effect of increasing urbanization in Montana's Flathead River Basin on the lake's trophic state. Multispectral data are also being studied as a possible source of the parameters needed to model the buffering capability of lakes in an effort to evaluate the effect of acid rain in the Adirondacks. Water quality in Lake Champlain, Vermont is being classified using data from the LANDSAT and the EPA MSS. Both contact-sensed and MSS data are being used with multivariate statistical analysis to classify the trophic status of 145 lakes in Illinois and to identify water sampling sites in Appalachicola Bay where contaminants threaten Florida's shellfish.

Slack, R.↗
NASA NTRS1991

Using Gaussian windows to explore a multivariate data set

In an earlier paper, I recounted an exploratory analysis, using Gaussian windows, of a data set derived from the Infrared Astronomical Satellite. Here, my goals are to develop strategies for finding structural features in a data set in a many-dimensional space, and to find ways to describe the shape of such a data set. After a brief review of Gaussian windows, I describe the current implementation of the method. I give some ways of describing features that we might find in the data, such as clusters and saddle points, and also extended structures such as a 'bar', which is an essentially one-dimensional concentration of data points. I then define a distance function, which I use to determine which data points are 'associated' with a feature. Data points not associated with any feature are called 'outliers'. I then explore the data set, giving the strategies that I used and quantitative descriptions of the features that I found, including clusters, bars, and a saddle point. I tried to use strategies and procedures that could, in principle, be used in any number of dimensions.

Jaeckel, Louis A.↗
NASA NTRS1990

Data analysis techniques

A large and diverse number of computational techniques are routinely used to process and analyze remotely sensed data. These techniques include: univariate statistics; multivariate statistics; principal component analysis; pattern recognition and classification; other multivariate techniques; geometric correction; registration and resampling; radiometric correction; enhancement; restoration; Fourier analysis; and filtering. Each of these techniques will be considered, in order.

Park, Steve↗