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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Bayesian Regression of Thermodynamic Models of Redox Active Materials

Finding a suitable functional redox material is a critical challenge to achieving scalable, economically viable technologies for storing concentrated solar energy in the form of a defected oxide. Demonstrating e ectiveness for thermal storage or solar fuel is largely accomplished by using a thermodynamic model derived from experimental data. The purpose of this project is to test the accuracy of our regression model on representative data sets. Determining the accuracy of the model includes parameter tting the model to the data, comparing the model using di erent numbers of param- eters, and analyzing the entropy and enthalpy calculated from the model. Three data sets were considered in this project: two demonstrating materials for solar fuels by wa- ter splitting and the other of a material for thermal storage. Using Bayesian Inference and Markov Chain Monte Carlo (MCMC), parameter estimation was preformed on the three data sets. Good results were achieved, except some there was some deviations on the edges of the data input ranges. The evidence values were then calculated in a variety of ways and used to compare models with di erent number of parameters. It was believed that at least one of the parameters was unnecessary and comparing evidence values demonstrated that the parameter was need on one data set and not signi cantly helpful on another. The entropy was calculated by taking the derivative in one variable and integrating over another. and its uncertainty was also calculated by evaluating the entropy over multiple MCMC samples. Afterwards, all the parts were written up as a tutorial for the Uncertainty Quanti cation Toolkit (UQTk).

36 MATERIALS SCIENCE↗
DOE OSTI2012

DOES A ''STOCHASTIC'' BACKGROUND OF GRAVITATIONAL WAVES EXIST IN THE PULSAR TIMING BAND?

We investigate the effects of gravitational waves (GWs) from a simulated population of binary supermassive black holes (SMBHs) on pulsar timing array data sets. We construct a distribution describing the binary SMBH population from an existing semi-analytic galaxy formation model. Using realizations of the binary SMBH population generated from this distribution, we simulate pulsar timing data sets with GW-induced variations. We find that the statistics of these variations do not correspond to an isotropic, stochastic GW background. The ''Hellings and Downs'' correlations between simulated data sets for different pulsars are recovered on average, though the scatter of the correlation estimates is greater than expected for an isotropic, stochastic GW background. These results are attributable to the fact that just a few GW sources dominate the GW-induced variations in every Fourier frequency bin of a five-year data set. Current constraints on the amplitude of the GW signal from binary SMBHs will be biased. Individual binary systems are likely to be detectable in five-year pulsar timing array data sets where the noise is dominated by GW-induced variations. Searches for GWs in pulsar timing array data therefore need to account for the effects of individual sources of GWs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Predicting Dynamic-to-Static Correction Factor from Petrophysical Data and Chemostratigraphy using Unsupervised Machine Learning

Estimating static mechanical properties of stratigraphic layers is critical for optimizing subsurface engineering applications. To estimate dynamic-to-static correction factor F ds (static-to-dynamic Young’s modulus ratio) across the Caney shale interval in Oklahoma, USA, we integrated triaxial test measurements and petrophysical data, including well logs and X-ray fluorescence (XRF) using unsupervised machine learning (ML). We used a novel workflow that includes principal component analysis (PCA) to reduce data set dimensionality of well logs and XRF data sets—both separately and combined—creating three scenarios, and later applied inverse distance weighting (IDW) to derive F ds profiles for these scenarios. Furthermore, we applied K-means clustering on each scenario to predict depositional facies, and built a stiffness zonation profile through chemostratigraphic analysis of the terrigenous elements to validate the predicted F ds . The predicted F ds profile from each scenario using the PCA-IDW method was compared with the constant F ds approach from our previous study by calculating the root mean square error (RMSE). The combined data sets scenario yielded the lowest RMSE value of 0.113, while the RMSE values for the well logs and XRF scenarios were 0.131 and 0.129, respectively. In addition, the predicted F ds from the XRF scenario well-matched the stiffness zonation from the chemostratigraphic analysis that was built using the optimized K-means clustering of nine clusters for that scenario. These methods and findings offer a valuable tool for refining lithological classification and improving the F ds profile, potentially enhancing drilling and stimulation strategies for subsurface energy engineering applications.

clastic rock↗
DOE OSTI2023

Customizable adaptive regularization techniques for B-spline modeling

B-spline models are a powerful way to represent scientific data sets with a functional approximation. However, these models can suffer from spurious oscillations when the data to be approximated are not uniformly distributed. Model regularization (i.e., smoothing) has traditionally been used to minimize these oscillations; unfortunately, it is sometimes impossible to sufficiently remove unwanted artifacts without smoothing away key features of the data set. In this article, we present a method of model regularization that preserves significant features of a data set while minimizing artificial oscillations. Our method varies the strength of a smoothing parameter throughout the domain automatically, removing artifacts in poorly-constrained regions while leaving other regions unchanged. Further, the proposed method selectively incorporates regularization terms based on first and second derivatives to maintain model accuracy while minimizing numerical artifacts. The behavior of our method is validated on a collection of two- and three-dimensional data sets produced by scientific simulations. In addition, a key tuning parameter is highlighted and the effects of this parameter are presented in detail. This paper is an extension of our previous conference paper at the 2022 International Conference on Computational Science (ICCS) (Lenz et al., 2022).

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Using Generalized Equivalent Uniform Dose Atlases to Combine and Analyze Prospective Dosimetric and Radiation Pneumonitis Data From 2 Non-Small Cell Lung Cancer Dose Escalation Protocols

Purpose: To demonstrate the use of generalized equivalent uniform dose (gEUD) atlas for data pooling in radiation pneumonitis (RP) modeling, to determine the dependence of RP on gEUD, to study the consistency between data sets, and to verify the increased statistical power of the combination. Methods and Materials: Patients enrolled in prospective phase I/II dose escalation studies of radiation therapy of non-small cell lung cancer at Memorial Sloan-Kettering Cancer Center (MSKCC) (78 pts) and the Netherlands Cancer Institute (NKI) (86 pts) were included; 10 (13%) and 14 (17%) experienced RP requiring steroids (RPS) within 6 months after treatment. gEUD was calculated from dose-volume histograms. Atlases for each data set were created using 1-Gy steps from exact gEUDs and RPS data. The Lyman-Kutcher-Burman model was fit to the atlas and exact gEUD data. Heterogeneity and inconsistency statistics for the fitted parameters were computed. gEUD maps of the probability of RPS rate {>=}20% were plotted. Results: The 2 data sets were homogeneous and consistent. The best fit values of the volume effect parameter a were small, with upper 95% confidence limit around 1.0 in the joint data. The likelihood profiles around the best fit a values were flat in all cases, making determination of the best fit a weak. All confidence intervals (CIs) were narrower in the joint than in the individual data sets. The minimum P value for correlations of gEUD with RPS in the joint data was .002, compared with P=.01 and .05 for MSKCC and NKI data sets, respectively. gEUD maps showed that at small a, RPS risk increases with gEUD. Conclusions: The atlas can be used to combine gEUD and RPS information from different institutions and model gEUD dependence of RPS. RPS has a large volume effect with the mean dose model barely included in the 95% CI. Data pooling increased statistical power.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

ZEM: Integrated Framework for Real-Time Data and Model Analyses for Robust Environmental Management Decision Making - 16438

Typically environmental management (EM) problems require analysis of large and complex data sets originating from concurrent data streams with different data collection frequencies and pedigree. These big data sets require on-the-fly analysis, assimilation and integration into a series of models with different complexity for various types of model-based analyses. This is needed to provide fast iterative model analyses based on the latest available data to guide decision-making. Furthermore, the data and model are associated with uncertainties. The uncertainties are probabilistic (e.g. measurement errors) and non-probabilistic (unknowns, e.g. alternative conceptual models characterizing site conditions). To address all of these issues, we have developed an integrated framework for real-time data and model analyses for environmental decision-making called ZEM. The framework allows for seamless and on-the-fly integration of data and modeling results for robust and scientifically-defensible decision-making applying advanced decision analyses tools such as Bayesian-Information-Gap Decision Theory (BIG-DT). The framework also includes advanced methods for optimization that are capable of dealing with a large number of unknown model parameters, and surrogate (reduced order) modeling capabilities based on support vector regression techniques. The framework is predominantly coded in Julia, a state-of-the-art high-performance programing language (http://julialang.org) and incorporates the MADS computational tools (Model Analysis and Decision Support; http://mads.lanl.gov). We demonstrate the application of ZEM for data and model analyses at the LANL Chromium site. The ZEM framework will be released as open-source code and can be applied to any environmental management site. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Load Deflection Data (LDDATA)

The current data set is load deflection data (Stress vs strain for compression stress and stress vs elongation for tension stress) from a material test. The goal of the test was to characterize this rubber-like material by looking at different variables: sample creation process, anisotropy, temperature, etc. The data will be used with the Texas A&M Online Research Experience for Undergraduates (O-REU) program. This program is joint with LANL. The student is not an official LANL student so they will not be able to access data and documents on the yellow. The load deflection data set is unclassified and will be sent to the student for analysis. Analysis will include curve fitting, scalar value analysis (stiffness, toughness, etc.) and analysis of variance to determine what variables statistically affect the response while correcting for covariates (temperature soak time and humidity). Data will be stored as Matlab structs and as HDF5 files. Same data, different formats.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Emulation Modeling for Development of Cyber-Defense Capabilities for Satellite Systems

The objective of this project was to develop a novel capability to generate synthetic data sets for the purpose of training Machine Learning (ML) algorithms for the detection of malicious activities on satellite systems. The approach experimented with was to a) generate sparse data sets using emulation modeling and b) enlarge the sparse data using Generative Adversarial Networks (GANs). We based our emulation modeling on the Open Source NASA Operational Simulator for Small Satellites (NOS3) developed by the Katherine Johnson Independent Verification and Validation (IV&V) program in West Virginia. Significant new capabilities on NOS3 had to be developed for our data set generation needs. To expand these data sets for the purpose of training ML, we experimented with a) Extreme Learning Machines (ELMs) and b) Wasserstein-GANs (WGAN-GP).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Projected Urban Morphology of the Los Angeles Area by the Year 2100

This dataset provides projections of urban building morphologies for the Los Angeles urban area at 30-meter spatial resolution. It contains 192 raster files that detail two primary building attributes: building footprint fractions (ranging from 0 to 1) and average building heights (ranging from 0 to 75 meters). The projections account for a wide range of future pathways, covering two Shared Socioeconomic Pathway (SSP) scenarios (SSP3 and SSP5), two population scenarios, two developed land intensification scenarios, and four distinct levels of intensification. The dataset was created using dual Generative Adversarial Networks (GANs) trained on 2015 land cover and building properties from the National Land Cover Database (NLCD) and Model America datasets. Supporting information on the dataset has been described in the LAUrbanAreaMorphologyProjections2100_README.txt file.

Pandey, Bhartendu↗
DOE OSTI2015

Using support vector machines to improve elemental ion identification in macromolecular crystal structures

A method to automatically identify possible elemental ions in X-ray crystal structures has been extended to use support vector machine (SVM) classifiers trained on selected structures in the PDB, with significantly improved sensitivity over manually encoded heuristics. In the process of macromolecular model building, crystallographers must examine electron density for isolated atoms and differentiate sites containing structured solvent molecules from those containing elemental ions. This task requires specific knowledge of metal-binding chemistry and scattering properties and is prone to error. A method has previously been described to identify ions based on manually chosen criteria for a number of elements. Here, the use of support vector machines (SVMs) to automatically classify isolated atoms as either solvent or one of various ions is described. Two data sets of protein crystal structures, one containing manually curated structures deposited with anomalous diffraction data and another with automatically filtered, high-resolution structures, were constructed. On the manually curated data set, an SVM classifier was able to distinguish calcium from manganese, zinc, iron and nickel, as well as all five of these ions from water molecules, with a high degree of accuracy. Additionally, SVMs trained on the automatically curated set of high-resolution structures were able to successfully classify most common elemental ions in an independent validation test set. This method is readily extensible to other elemental ions and can also be used in conjunction with previous methods based on a priori expectations of the chemical environment and X-ray scattering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Simplified Processing Method for Meter Data Analysis

Simple/Quick metered data processing method that can be used for Army Metered Data Management System (MDMS) and Logistics Innovation Agency data, but may also be useful for other large data sets. Intended for large data sets when analyst has little information about the buildings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

0.94-2.42 μm ground-based transmission spectra of the hot Jupiter HD-189733b

We present here new transmission spectra of the hot Jupiter HD-189733b using the SpeX instrument on the NASA Infrared Telescope Facility. We obtained two nights of observations where we recorded the primary transit of the planet in the J, H, and K bands simultaneously, covering a spectral range from 0.94 to 2.42 μm. We used Fourier analysis and other detrending techniques validated previously on other data sets to clean the data. We tested the statistical significance of our results by calculating the autocorrelation function, and we found that, after the detrending, autocorrelative noise is diminished at most frequencies. Additionally, we repeated our analysis on the out-of-transit data only, showing that the residual telluric contamination is well within the error bars. While these techniques are very efficient when multiple nights of observations are combined together, our results prove that even one good night of observations is enough to provide statistically meaningful data. Our observed spectra are consistent with space-based data recorded in the same wavelength interval by multiple instruments, indicating that ground-based facilities are becoming a viable and complementary option to spaceborne observatories. The best fit to the features in our data was obtained with water vapor. Our error bars are not small enough to address the presence of additional molecules; however, by combining the information contained in other data sets with our results, it is possible to explain all the available observations with a modeled atmospheric spectrum containing water vapor, methane, carbon monoxide, and hazes/clouds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Image-driven discriminative and generative machine learning algorithms for establishing microstructure–processing relationships

We investigate methods of microstructure representation for the purpose of predicting processing condition from microstructure image data. A binary alloy that is currently under development as a nuclear fuel was studied for the purpose of developing an improved machine learning approach to image recognition, characterization, and building predictive capabilities linking microstructure to processing conditions. Here, we test different microstructure representations and evaluate model performance based on classification accuracy. A classification accuracy of 95.8% was achieved fordistinguishing between micrographs corresponding to ten different thermo-mechanical material processing conditions.We find that our newly developed microstructure representation describes image data well, and the traditional approachof utilizing area fractions of different phases is insufficient for distinguishing between multiple classes using a relativelysmall, imbalanced original data set of 272 images. To explore the applicability of generative methods for supplementing such limited data sets, generative adversarial networks were trained to generate artificial microstructure images. Two different generative networks were trained and tested to assess performance. Challenges and best practices associated with applying machine learning to limited microstructure image data sets is also discussed. Our work has implications for quantitative microstructure analysis, and development of microstructure-processing relationships in limited data sets typical of metallurgical process design studies.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Better models by discarding data?

Making the most of hard-won data in protein crystallography: to keep or not to keep, that is the question. In macromolecular X-ray crystallography, typical data sets have substantial multiplicity. This can be used to calculate the consistency of repeated measurements and thereby assess data quality. Recently, the properties of a correlation coefficient, CC{sub 1/2}, that can be used for this purpose were characterized and it was shown that CC{sub 1/2} has superior properties compared with ‘merging’ R values. A derived quantity, CC*, links data and model quality. Using experimental data sets, the behaviour of CC{sub 1/2} and the more conventional indicators were compared in two situations of practical importance: merging data sets from different crystals and selectively rejecting weak observations or (merged) unique reflections from a data set. In these situations controlled ‘paired-refinement’ tests show that even though discarding the weaker data leads to improvements in the merging R values, the refined models based on these data are of lower quality. These results show the folly of such data-filtering practices aimed at improving the merging R values. Interestingly, in all of these tests CC{sub 1/2} is the one data-quality indicator for which the behaviour accurately reflects which of the alternative data-handling strategies results in the best-quality refined model. Its properties in the presence of systematic error are documented and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Prior-based artifact correction (PBAC) in computed tomography

Purpose: Image quality in computed tomography (CT) often suffers from artifacts which may reduce the diagnostic value of the image. In many cases, these artifacts result from missing or corrupt regions in the projection data, e.g., in the case of metal, truncation, and limited angle artifacts. The authors propose a generalized correction method for different kinds of artifacts resulting from missing or corrupt data by making use of available prior knowledge to perform data completion. Methods: The proposed prior-based artifact correction (PBAC) method requires prior knowledge in form of a planning CT of the same patient or in form of a CT scan of a different patient showing the same body region. In both cases, the prior image is registered to the patient image using a deformable transformation. The registered prior is forward projected and data completion of the patient projections is performed using smooth sinogram inpainting. The obtained projection data are used to reconstruct the corrected image. Results: The authors investigate metal and truncation artifacts in patient data sets acquired with a clinical CT and limited angle artifacts in an anthropomorphic head phantom data set acquired with a gantry-based flat detector CT device. In all cases, the corrected images obtained by PBAC are nearly artifact-free. Compared to conventional correction methods, PBAC achieves better artifact suppression while preserving the patient-specific anatomy at the same time. Further, the authors show that prominent anatomical details in the prior image seem to have only minor impact on the correction result. Conclusions: The results show that PBAC has the potential to effectively correct for metal, truncation, and limited angle artifacts if adequate prior data are available. Since the proposed method makes use of a generalized algorithm, PBAC may also be applicable to other artifacts resulting from missing or corrupt data.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2011

iGlobe: An Interactive Visualization and Analysis Framework for Geospatial Data

The iGlobe system is a desktop-based visualization and analysis environment which allows seamless integration of multiple geospatial data sets from varied sources and provides an interface to interactively analyze the different data sets and apply sophisticated data analysis and mining algorithms in a near real time fashion. The framework is highly desirable in domains such as earth and climate sciences where great emphasis is placed on simultaneous analysis of different data sets such as remote sensing images, climate model simulation outputs, and other environmental and demographic databases, to understand weather and climate systems and the impact of climate change in nature and people.

Chandola, Varun↗
DOE OSTI2013

Earth System Grid Federation: Federated and Integrated Climate Data from Multiple Sources. IN: Earth System Modeling, Volume 6

In climate science, the quantity of data in use by 2020 is expected to be in the hundreds of exabytes (EB, where 1 exabyte = 1018 bytes). Current and future heterogeneous climate data will be distributed around the globe and must be harnessed to find solutions to mission-critical problems. Additionally, more requirements and more constraints are needed to expand and integrate new modeling capabilities and tasks, such as climate prediction, uncertainty quantification (UQ) of model performance, test-bed development, and assimilation of more diverse data sets. These data exploration tasks can be complex and time-consuming, and frequently involve numerous resources spread throughout the modeling and observational climate communities. Staff expertise and core competencies must therefore be flexibly applied to multiple projects and programs to accommodate more complex applications and state-of-the-art science analysis, while allowing resources to be adapted to address future areas of interest in climate research.

Climate Project↗