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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 559 records · Page 31
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NASA NTRSDate not supplied

Envisioning the Future of International Earth Observations Collaboration: Area and Map Accuracy Estimation by Sampling

- Maps have errors, sometimes a lot of errors ⇒ obtaining information directly from map problematic; any use of the map will benefit from information about errors/uncertainty - IPCC: unbiasedness and uncertainty - By randomly drawing a sample from the study area, observing reference conditions at drawn locations, and constructing estimators – easily estimate areas and map accuracy ± uncertainty - Sampling design and analysis, relatively easy – collecting reference observations is not. Cloud-based solutions, e.g. AREA2, Collect Earth Online, facilitate the collection of reference observations - More research and guidance needed!

Pontus Olofsson↗
NASA NTRS1987

The correspondence of surface climate parameters with satellite and terrain data

One of the goals of the research was to develop a ground sampling stragegy for calibrating remotely sensed measurements of surface climate parameters. The initial sampling strategy involved the stratification of the terrain based on important ancillary surface variables such as slope, exposure, insolation, geology, drainage, fire history, etc. For a spatially heterogeneous population, sampling error is reduced and efficiency increased by stratification of the landscape into more homogeneous sub-areas and by employing periodic random spacing of samples. These concepts were applied in the initial stratification of the study site for the purpose of locating and allocating instrumentation.

Dozier, Jeff↗
DOE OSTI2022

Coarse-Grained Density Functional Theory Predictions via Deep Kernel Learning

Scalable electronic predictions are critical for soft materials design. Recently, the Electronic Coarse-Graining (ECG) method was introduced to renormalize all-atom quantum chemical (QC) predictions to coarse-grained (CG) resolutions using deep neural networks (DNNs). While DNNs can learn complex representations that prove challenging for kernel-based methods, they are susceptible to overfitting and the overconfidence of uncertainty estimations. Here, we develop ECG within a GPU-accelerated Deep Kernel Learning (DKL) framework to enable CG QC predictions using range-separated hybrid density functional theory (DFT), obtaining a 107 speedup relative to naive all-atom QC. By treating the predicted electronic properties as random Gaussian Processes, DKL incorporates CG mapping degeneracy by learning the distribution of electronic energies as a function of CG configuration. DKL-ECG accurately reproduces molecular orbital energies from range-separated DFT while facilitating efficient training via active learning using the uncertainties provided by DKL. Further, we show that while active learning algorithms enable efficient sampling of a more diverse configurational space relative to random sampling, all explored query methods exhibit comparable performance for the examined system. We attribute this result to the significant overlap of the feature space and output property distributions across multiple temperatures.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Compositional inhomogeneities in a single Icelandic tholeiite flow

New trace element analyses of 25 basalt samples from a vertical traverse in an 11 m thick flow of Icelandic tholeiite show compositional differences which exceed analytical uncertainties and are random with respect to height. These variations suggest a short-range segregation model in which the amounts of phenocrysts, groundmass materials, and residual liquid vary randomly in different samples of the flow; a least-squares method is applied to determine if these variations reflect different proportions of crystallizing phases and residual liquid. Monte Carlo computations indicate that short-range segregation results in inhomogeneity of a magnitude of interflow compositional differences; this causes incoherence in elements with different geochemical behaviors while preserving coherence in elements of similar behavior.

Lindstrom, M. M.↗
NASA NTRS2003

Changes in the Optical Properties of Simulated Shuttle Waste Water Deposits: Urine Darkening

Manned spacecraft have historically dumped the crew generated waste water overboard, into the environment in which the spacecraft operates, sometimes depositing the waste water on the external spacecraft surfaces. The change in optical properties of wastewater deposited on spacecraft external surfaces, from exposure to space environmental effects, is not well understood. This study used nonvolatile residue (NVR) from Human Urine to simulate wastewater deposits and documents the changes in the optical properties of the NVR deposits after exposure to ultra violet(UV)radiation. Twenty four NVR samples of, 0-angstromes/sq cm to 1000-angstromes/sq cm, and one sample contaminated with 1 to 2-mg/sq cm were exposed to UV radiation over the course of approximately 6151 equivalent sun hours (ESH). Random changes in sample mass, NVR, solar absorbance, and infrared emission were observed during the study. Significant changes in the UV transmittance were observed for one sample contaminated at the mg/sq cm level.

Albyn, Keith↗
NASA NTRS2004

Changes in the Optical Properties of Simulated Shuttle Waste Water Deposits- Urine Darkening

Manned spacecraft have historically dumped the crew generated waste waster overboard, into the environment in which the spacecraft operates, sometimes depositing the waste water on the external spacecraft surfaces. The change in optical properties of wastewater deposited on spacecraft external surfaces, from exposure to space environmental effects, is not well understood. This study used nonvolatile residue (NVR) from Human Urine to simulate wastewater deposits and documents the changes in the optical properties of the NVR deposits after exposure to ultra violet (UV) radiation. Twenty NVR samples of, 0-angstromes/sq cm to 1000-angstromes/sq cm, and one sample contaminated with 1 to 2-mg/sq cm were exposed to UV radiation over the course of approximately 6151 equivalent sun hours (ESH). Random changes in sample mass, NVR, solar absorbance, and infrared emission were observed during the study. Significant changes in the UV transmittance were observed for one sample contaminated at the mg/sq cm level.

Albyn, Keith↗
DOE OSTI2020

Rapid Identification of X-ray Diffraction Patterns Based on Very Limited Data by Interpretable Convolutional Neural Networks

Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a convolutional neural network (CNN) that was trained based on theoretical data and very limited experimental data for fast identification of experimental X-ray diffraction (XRD) patterns of metal–organic frameworks (MOFs). To augment the data for training the model, noise was extracted from experimental data and shuffled; then it was merged with the main peaks that were extracted from theoretical spectra to synthesize new spectra. For the first time, one-to-one material identification was achieved. Theoretical MOFs patterns (1012) were augmented to a whole data set of 72 864 samples. It was then randomly shuffled and split into training (58 292 samples) and validation (14 572 samples) data sets at a ratio of 4:1. For the task of discriminating, the optimized model showed the highest identification accuracy of 96.7% for the top 5 ranking on a test data set of 30 hold-out samples. Neighborhood component analysis (NCA) on the experimental XRD samples shows that the samples from the same material are clustered in groups in the NCA map. Analysis on the class activation maps of the last CNN layer further discloses the mechanism by which the CNN model successfully identifies individual MOFs from the XRD patterns. Furthermore, this CNN model trained by the data augmentation technique would not only open numerous potential applications for identifying XRD patterns for different materials, but also pave avenues to autonomously analyze data by other characterization tools such as FTIR, Raman, and NMR spectroscopies.

36 MATERIALS SCIENCE↗
NASA NTRS1976

A methodology for small scale rural land use mapping in semi-arid developing countries using orbital imagery. Part 5: Experimental and operational techniques of mapping land use

The author has identified the following significant results. Scope of the preprocessing techniques was restricted to standard material from the EROS Data Center accompanied by some enlarging procedures and the use of the diazo process. Investigation has shown that the most appropriate sampling strategy for this study is the stratified random technique. A viable sampling procedure, together with a method for determining minimum number of sample points in order to test results of any interpretation are presented.

Vangenderen, J. L.↗
DOE OSTI2018

Random Forests and Networks Analysis

Wilson (Proceedings of the twenty-eight annual acm symposium on the theory of computing, pp. 296–303, 1996) in the 1990s described a simple and efficient algorithm based on loop-erased random walks to sample uniform spanning trees and more generally weighted trees or forests spanning a given graph. This algorithm provides a powerful tool in analyzing structures on networks and along this line of thinking, in recent works (Avena and Gaudillière in A proof of the transfer-current theorem in absence of reversibility, in Stat. Probab. Lett. 142, 17–22 (2018); Avena and Gaudillière in J Theor Probab, 2017. https://doi.org/10.1007/s10959-017-0771-3 ; Avena et al. in Approximate and exact solutions of intertwining equations though random spanning forests, 2017. arXiv:1702.05992v1 ; Avena et al. in Intertwining wavelets or multiresolution analysis on graphs through random forests, 2017. arXiv:1707.04616 , to appear in ACHA (2018)) we focused on applications of spanning rooted forests on finite graphs. The resulting main conclusions are reviewed in this paper by collecting related theorems, algorithms, heuristics and numerical experiments. A first foundational part on determinantal structures and efficient sampling procedures is followed by four main applications: (1) a random-walk-based notion of well-distributed points in a graph, (2) a framework to describe metastable-like dynamics in finite settings by means of Markov intertwining dualities, (3) coarse graining schemes for networks and associated processes, (4) wavelets-like pyramidal algorithms for graph signals.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

A data based random number generator for a multivariate distribution (using stochastic interpolation)

Let X be a K-dimensional random variable serving as input for a system with output Y (not necessarily of dimension k). given X, an outcome Y or a distribution of outcomes G(Y/X) may be obtained either explicitly or implicity. The situation is considered in which there is a real world data set X sub j sub = 1 (n) and a means of simulating an outcome Y. A method for empirical random number generation based on the sample of observations of the random variable X without estimating the underlying density is discussed.

Thompson, J. R.↗
DOE OSTI2021

The Effect of Homogenization Heat Treatment on the Texture Evolution in U-10Mo Alloy

Uranium alloyed with 10 wt% Mo (U-10Mo) undergoes discontinuous precipitation (DP) when subjected to sub-eutectoid heat-treatment. It is hypothesized that the crystallographic texture of the U-10Mo can be modified to minimize the degree of DP, however the evolution of texture throughout the manufacturing process is not well understood. Crystallographic textures of two U-10Mo samples homogenized at 900°C and 1000°C were studied after uniaxial rolling and annealing. A total of 6 samples were analyzed upon rolling using a combination of hot and cold rolling conditions to strains of 83%, 90% and 97% and subsequently annealed at 700°C for one hour. Microstructures and textures were analyzed via electron backscatter diffraction (EBSD) for each homogenization, strain and post-annealed states. Results show that the U-10Mo exhibits typical rolling textures seen in body-centered cubic materials with increasing intensities of both a- and ?-fibers with increasing strain. After recrystallization, the texture appeared to be effectively randomized in all samples. Homogenization temperature showed no effect on the rolling and recrystallization behavior. Potential factors leading to the randomization of texture are discussed along with the implications of textures on the minimization of DP.

nuclear fuel, texture, rolling↗
DOE OSTI2016

SU-G-JeP1-15: Sliding Window Prior Data Assisted Compressed Sensing for MRI Lung Tumor Tracking

Purpose: Prior Data Assisted Compressed Sensing (PDACS) is a partial k-space acquisition and reconstruction method for mobile tumour (i.e. lung) tracking using on-line MRI in radiotherapy. PDACS partially relies on prior data acquired at the beginning of dynamic scans, and is therefore susceptible to artifacts in longer duration scan due to slow drifts in MR signal. A novel sliding window strategy is presented to mitigate this effect. Methods: MRI acceleration is simulated by retrospective removal of data from the fully sampled sets. Six lung cancer patients were scanned (clinical 3T MRI) using a balanced steady state free precession (bSSFP) sequence for 3 minutes at approximately 4 frames per second, for a total of 650 dynamics. PDACS acceleration is achieved by undersampling of k-space in a single pseudo-random pattern. Reconstruction iteratively minimizes the total variations while constraining the images to satisfy both the currently acquired data and the prior data in missing k-space. Our novel sliding window technique (SW-PDACS), uses a series of distinct pseudo-random under-sampling patterns of partial k-space – with the prior data drawn from a sliding window of the most recent data available. Under-sampled data, simulating 2 – 5x acceleration are reconstructed using PDACS and SW-PDACS. Three quantitative metrics: artifact power, centroid error and Dice’s coefficient are computed for comparison. Results: Quantitively metric values from all 6 patients are averaged in 3 bins, each containing approximately one minute of dynamic data. For the first minute bin, PDACS and SW-PDACS give comparable results. Progressive decline in image quality metrics in bins 2 and 3 are observed for PDACS. No decline in image quality is observed for SW-PDACS. Conclusion: The novel approach presented (SW-PDACS) is a more robust for accelerating longer duration (>1 minute) dynamic MRI scans for tracking lung tumour motion using on-line MRI in radiotherapy. B.G. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization).

60 APPLIED LIFE SCIENCES↗
NASA NTRS1973

Monte-Carlo analysis of rarefied-gas diffusion including variance reduction using the theory of Markov random walks

Molecular diffusion through a rarefied gas is analyzed by using the theory of Markov random walks. The Markov walk is simulated on the computer by using random numbers to find the new states from the appropriate transition probabilities. As the sample molecule during its random walk passes a scoring position, which is a location at which the macroscopic diffusing flow variables such as molecular flux and molecular density are desired, an appropriate payoff is scored. The payoff is a function of the sample molecule velocity. For example, in obtaining the molecular flux across a scoring position, the random walk payoff is the net number of times the scoring position has been crossed in the positive direction. Similarly, when the molecular density is required, the payoff is the sum of the inverse velocity of the sample molecule passing the scoring position. The macroscopic diffusing flow variables are then found from the expected payoff of the random walks.

Perlmutter, M.↗
NASA NTRS2017

Lunar Meteorites: A Global Geochemical Dataset

To date, the world's meteorite collections contain over 260 lunar meteorite stones representing at least 120 different lunar meteorites. Additionally, there are 20-30 as yet unnamed stones currently in the process of being classified. Collectively these lunar meteorites likely represent 40-50 distinct sampling locations from random locations on the Moon. Although the exact provenance of each individual lunar meteorite is unknown, collectively the lunar meteorites represent the best global average of the lunar crust. The Apollo sites are all within or near the Procellarum KREEP Terrane (PKT), thus lithologies from the PKT are overrepresented in the Apollo sample suite. Nearly all of the lithologies present in the Apollo sample suite are found within the lunar meteorites (high-Ti basalts are a notable exception), and the lunar meteorites contain several lithologies not present in the Apollo sample suite (e.g., magnesian anorthosite). This chapter will not be a sample-by-sample summary of each individual lunar meteorite. Rather, the chapter will summarize the different types of lunar meteorites and their relative abundances, comparing and contrasting the lunar meteorite sample suite with the Apollo sample suite. This chapter will act as one of the introductory chapters to the volume, introducing lunar samples in general and setting the stage for more detailed discussions in later more specialized chapters. The chapter will begin with a description of how lunar meteorites are ejected from the Moon, how deep samples are being excavated from, what the likely pairing relationships are among the lunar meteorite samples, and how the lunar meteorites can help to constrain the impactor flux in the inner solar system. There will be a discussion of the biases inherent to the lunar meteorite sample suite in terms of underrepresented lithologies or regions of the Moon, and an examination of the contamination and limitations of lunar meteorites due to terrestrial weathering. The bulk of the chapter will use examples from the lunar meteorite suite to examine important recent advances in lunar science, including (but not limited to the following: (1) Understanding the global compositional diversity of the lunar surface; (2) Understanding the formation of the ancient lunar primary crust; (3) Understanding the diversity and timing of mantle melting, and secondary crust formation; (4) Comparing KREEPy lunar meteorites to KREEPy Apollo samples as evidence of variability within the PKT; and (5) A better understanding of the South Pole Aitken Basin through lunar meteorites whose provenance are within that Terrane.

Zeigler, R. A.↗
DOE OSTI2023

Stochastic Framework for Optimal Control of Planetary Reentry Trajectories Under Multilevel Uncertainties

We present a novel stochastic optimal control framework that accounts for various types of uncertainties, with application to reentry trajectory planning. The formulation of the optimal trajectory control problem is presented in the context of an indirect method where a functional objective associated with the terminal vehicle speed is to be minimized. Uncertain input parameters in the optimal trajectory control model, including aerodynamic parameters and initial and terminal conditions, are modeled as aleatory random variables, while the statistical parameters of these aleatory distributions are themselves random variables. The parametric and model uncertainties are simultaneously propagated through an extended polynomial chaos expansion (EPCE) formalism. Several metrics are described to evaluate response statistics and presented as insightful tools for robust decision making. Specifically, the response probability density function (PDF) reflecting influence of both epistemic and aleatory uncertainties is obtained. By sampling over the random variables representing model error, an ensemble of response PDFs is generated and the associated failure probability is estimated as a random variable with its own polynomial chaos expansion. Besides, the sensitivity index functions of response PDF with respect to the statistical parameters are evaluated. Coupling parametric and model uncertainties within the EPCE framework leads to a robust and efficient paradigm for multilevel uncertainty propagation and PDF characterization in general optimal control problems.

Engineering↗
DOE OSTI2019

Scalable Matrix-Free Adaptive Product-Convolution Approximation for Locally Translation-Invariant Operators

We present an adaptive grid matrix-free operator approximation scheme based on a "product-convolution" interpolation of convolution operators. This scheme is appropriate for operators that are locally translation-invariant, even if these operators are high rank or full rank. Such operators arise in Schur complement methods for solving partial differential equations (PDEs), as Hessians in PDE-constrained optimization and inverse problems, as integral operators, as covariance operators, and as Dirichlet-to-Neumann maps. Constructing the approximation requires computing the impulse responses of the operator to point sources centered on nodes in an adaptively refined grid of sample points. A randomized a posteriori error estimator drives the adaptivity. Once constructed, the approximation can be efficiently applied to vectors using the fast Fourier transform. The approximation can be efficiently converted to hierarchical matrix (H-matrix) format, then inverted or factorized using scalable H-matrix arithmetic. The quality of the approximation degrades gracefully as fewer sample points are used, allowing cheap lower quality approximations to be used as preconditioners. Furthermore, this yields an automated method to construct preconditioners for locally translation-invariant Schur complements. We directly address issues related to boundaries and prove that our scheme eliminates boundary artifacts. We test the scheme on a spatially varying blurring kernel, on the nonlocal component of an interface Schur complement for the Poisson operator, and on the data misfit Hessian for an advection dominated advection-diffusion inverse problem. Numerical results show that the scheme outperforms existing methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Optical studies of the uniaxial stress-induced orbital alignment of the Cr{sup 2+} centers in KZnF{sub 3} single crystal

Observation of an intense optical linear dichroism arising in cubic KZnF{sub 3}:Cr crystal at low temperatures under uniaxial stress applied along the four-fold axis is reported. Dichroism occurs in the range of the wide vibronic absorption band corresponding to {sup 5}E{sub g} → {sup 5}T{sub 2g} transition of the Cr{sup 2+} ions. Strain dependences of the dichroism value were studied at the temperatures of 2.0 K, 4.2 K, and 77 K. We associate our observations with the Jahn-Teller effect in the {sup 5}E{sub g} ground state of the Cr{sup 2+} ion. The model is proposed based on a redistribution of the centers between the minima of the E⨂e problem adiabatic potential that become inequivalent under uniaxial stress applied along the four-fold axis of the crystal. It is shown that random strains in the sample have to be taken into account to achieve the quantitative agreement of the model predictions with experimental data. It is found that random strains in the studied sample originate predominantly from point defects. Obtained parameter values are inversion splitting δ = 9.2 ± 1.6 cm{sup −1}, electron-strain coupling constant qV{sub ES} = 16 500 ± 600 cm{sup −1}, width of the random strain distribution w = (6.9 ± 0.5) ⋅ 10{sup −5}. It is shown also that the minima of the [CrF{sub 6}]{sup 4−} cluster adiabatic potential correspond to the elongated along the four-fold axes configurations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗