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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Statistical Evaluation of Combining Human Productivity Metrics in the Indoor Environment

The potential of improving human productivity by providing healthy indoor environments has been a consistent interest in the building field for decades. This research field's long-standing challenge is to measure human productivity given the complex nature of office work. Previous studies have diversified productivity metrics, allowing greater flexibility in collecting human data; however, this diversity complicates the ability to combine productivity metrics from disparate studies within a meta-analysis. This study aims to categorize existing productivity metrics and statistically assess which categories show similar behavior when used to measure the impacts of indoor environmental quality. The 106 productivity metrics compiled were grouped into six productivity metric categories: neurobehavioral speed, accuracy, neurobehavioral response time, call handling time, self-reported productivity, and performance score. Then, this study set neurobehavioral speed as the baseline category given its fitness to the efficiency-based definition of productivity (i.e., output versus input) and conducted three statistical analyses with the other categories to evaluate their similarity. As results, the categories of neurobehavioral response time, self-reported productivity, and call handling time were found to have statistical similarity with neurobehavioral speed. This study contributes to creating a constructive research environment for future meta-analyses to understand which human productivity metrics can be combined with each other.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Automated, high-accuracy classification of textured microstructures using a convolutional neural network

Crystallographic texture is an important descriptor of material properties but requires time-intensive electron backscatter diffraction (EBSD) for identifying grain orientations. While some metrics such as grain size or grain aspect ratio can distinguish textured microstructures from untextured microstructures after significant grain growth, such morphological differences are not always visually observable. This paper explores the use of deep learning to classify experimentally measured textured microstructures without knowledge of crystallographic orientation. A deep convolutional neural network is used to extract high-order morphological features from binary images to distinguish textured microstructures from untextured microstructures. The convolutional neural network results are compared with a statistical Kolmogorov–Smirnov tests with traditional morphological metrics for describing microstructures. Results show that the convolutional neural network achieves a significantly improved classification accuracy, particularly at early stages of grain growth, highlighting the capability of deep learning to identify the subtle morphological patterns resulting from texture. The results demonstrate the potential of a convolutional neural network as a tool for reliable and automated microstructure classification with minimal preprocessing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantifying Graph Uncertainty from Communication Data

Graphs are a widely used abstraction for representing a variety of important real-world problems including emulating cyber networks for situational awareness, or studying social networks to understand human interactions or pandemic spread. Communication data is often converted into graphs to help understand social and technical patterns in the underlying communication data. However, prior to this project, little work had been performed analyzing how best to develop graphs from such data. Thus, many critical, national security problems were being performed against graph representations of questionable quality. Herein, we describe our analyses that were precursors to our final statistically grounded technique for creating static graph snapshots from a stream of communication events. The first analyzes the statistical distribution properties of a variety of real-world communication datasets generally fit best by Pareto, log normal, and extreme value distributions. The second derives graph properties that can be estimated given the expected statistical distribution for communication events and the communication interval to be viewed node observability, edge observability, and expected accuracy of node degree. Unfortunately, as that final process is under review for publication, we can't publish it here at this time.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

ResStock: Annual Baseline Results with Component Loads

The ResStock Analysis Tool was developed by NREL with support from the U.S. Department of Energy to provide a new approach to large-scale residential analysis by combining large public and private data sources, statistical sampling, detailed sub hourly building simulations, and high-performance computing. This combination achieves unprecedented granularity and accuracy in modeling the diversity of the housing stock and the distributional impacts of building technologies in different communities. The annual baseline energy results from a national-scale ResStock run use typical meteorological year 3 (TMY3) files for energy simulations. Results include heating and cooling loads for individual components of each building. Component loads describe the heating/cooling load that can be attributed to specific elements of a home, such as heat transfer through walls or internal gains. Additionally, these results include the standard ResStock outputs for housing characteristics and numerous energy outputs by end-use and fuel. A snapshot of the ResStock version used to produce this data, including a configuration file for the run can be found using the Source Code resource link.

Array↗
DOE OSTI2022

A Novel Approach for Real-Time Quality Monitoring in Machining of Aerospace Alloy through Acoustic Emission Signal Transformation for DNN

Gamma titanium aluminide (γ-TiAl) is considered a high-performance, low-density replacement for nickel-based superalloys in the aerospace industry due to its high specific strength, which is retained at temperatures above 800 °C. However, low damage tolerance, i.e., brittle material behavior with a propensity to rapid crack propagation, has limited the application of γ-TiAl. Any cracks introduced during manufacturing would dramatically lower the useful (fatigue) life of γ-TiAl components, making the workpiece surface’s quality from finish machining a critical component to product quality and performance. To address this issue and enable more widespread use of γ-TiAl, this research aims to develop a real-time non-destructive evaluation (NDE) quality monitoring technique based on acoustic emission (AE) signals, wavelet transform, and deep neural networks (DNN). Previous efforts have opted for traditional approaches to AE signal analysis, using statistical feature extraction and classification, which face challenges such as the extraction of good/relevant features and low classification accuracy. Hence, this work proposes a novel AI-enabled method that uses a convolutional neural network (CNN) to extract rich and relevant features from a two-dimensional image representation of 1D time-domain AE signals (known as scalograms), subsequently classifying the AE signature based on pedigreed experimental data and finally predicting the process-induced surface quality. The results of the present work show good classification accuracy of 80.83% using scalogram images, in-situ experimental data, and a VGG-19 pre-trained neural network, establishing the significant potential for real-time quality monitoring in manufacturing processes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Passive method to measure strength of turbulence

Disclosed is a method to passively measure and calculate the strength of turbulence via the index of refraction structure constant Cn2 from video imagery gathered by an imaging device, such as a video camera. Processing may occur with any type computing device utilizing a processor executing machine executable code stored on memory. This method significantly simplifies instrumentation requirements, reduces cost, and provides rapid data output. This method combines an angle of arrival methodology, which provides scale factors, with a new spatial/temporal frequency domain method. As part of the development process, video imagery from high speed cameras was collected and analyzed. The data was decimated to video rates such that statistics could be computed and used to confirm that this passive method accurately characterizes the atmospheric turbulence. Cn2 accuracy from this method compared well with scintillometer data through two full orders of magnitude and more capability is expected beyond this verification.

O'Neill, Mary Morabito↗
DOE OSTI2021

Detection Limits of Low-mass, Long-period Exoplanets Using Gaussian Processes Applied to HARPS-N Solar Radial Velocities

Radial velocity (RV) searches for Earth-mass exoplanets in the habitable zone around Sun-like stars are limited by the effects of stellar variability on the host star. In particular, suppression of convective blueshift and brightness inhomogeneities due to photospheric faculae/plage and starspots are the dominant contribution to the variability of such stellar RVs. Gaussian process (GP) regression is a powerful tool for statistically modeling these quasi-periodic variations. We investigate the limits of this technique using 800 days of RVs from the solar telescope on the High Accuracy Radial velocity Planet Searcher for the Northern hemisphere (HARPS-N) spectrograph. These data provide a well-sampled time series of stellar RV variations. Into this data set, we inject Keplerian signals with periods between 100 and 500 days and amplitudes between 0.6 and 2.4 m s{sup −1}. We use GP regression to fit the resulting RVs and determine the statistical significance of recovered periods and amplitudes. We then generate synthetic RVs with the same covariance properties as the solar data to determine a lower bound on the observational baseline necessary to detect low-mass planets in Venus-like orbits around a Sun-like star. Our simulations show that discovering planets with a larger mass (∼0.5 m s{sup −1}) using current-generation spectrographs and GP regression will require more than 12 yr of densely sampled RV observations. Furthermore, even with a perfect model of stellar variability, discovering a true exo-Venus (∼0.1 m s{sup −1}) with current instruments would take over 15 yr. Therefore, next-generation spectrographs and better models of stellar variability are required for detection of such planets.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Statistical Modeling and Analysis of k -Layer Coverage of Two-Dimensional Materials in Inkjet Printing Processes

Two-dimensional layered materials/flakes, also known as crystalline atom-thick layer nanosheets, have recently been receiving great attention in electronics fabrication due to their unique and intriguing properties. The k-layer coverage area (i.e., the area covered by k number of overlapping layers) of the printed flake pattern significantly impacts on the properties of the printed electronics. In this work, we constructed a statistical model to describe the k-layer coverage of randomly distributed two-dimensional materials. A series of results are obtained to provide not only the expectation but also the variance of the coverage area. The boundary effects on the random flakes coverage are also studied. In addition, an approximated statistical testing approach is also developed in this work to detect abnormal coverage patterns. Furthermore, the case studies based on simulated data and real flakes images obtained from the inkjet printing process demonstrate the accuracy and effectiveness of the proposed model and analysis methods.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Enhancing ZFP: A Statistical Approach to Understanding and Reducing Error Bias in a Lossy Floating-Point Compression Algorithm

The amount of data generated and gathered in scientific simulations and data collection applications is continuously growing, putting mounting pressure on storage and bandwidth concerns. A means of reducing such issues is data compression; but, lossless data compression is typically ineffective when applied to floating-point data. Thus, users tend to apply a lossy data compressor, which allows for small deviations from the original data. It is essential to understand how the error from lossy compression impacts the accuracy of the data analytics. Thus, we must analyze not only the compression properties but the error as well. In this paper, we provide a statistical analysis of the error caused by ZFP compression, a state-of-the-art, lossy compression algorithm explicitly designed for floating-point data. We show that the error is indeed biased and propose simple modifications to the algorithm to neutralize the bias and further reduce the resulting error.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Validation Metrics for Fixed Effects and Mixed-Effects Calibration

The modern scientific process often involves the development of a predictive computational model. To improve its accuracy, a computational model can be calibrated to a set of experimental data. A variety of validation metrics can be used to quantify this process. Some of these metrics have direct physical interpretations and a history of use, while others, especially those for probabilistic data, are more difficult to interpret. In this work, a variety of validation metrics are used to quantify the accuracy of different calibration methods. Frequentist and Bayesian perspectives are used with both fixed effects and mixed-effects statistical models. Through a quantitative comparison of the resulting distributions, the most accurate calibration method can be selected. Two examples are included which compare the results of various validation metrics for different calibration methods. It is quantitatively shown that, in the presence of significant laboratory biases, a fixed effects calibration is significantly less accurate than a mixed-effects calibration. This is because the mixed-effects statistical model better characterizes the underlying parameter distributions than the fixed effects model. The results suggest that validation metrics can be used to select the most accurate calibration model for a particular empirical model with corresponding experimental data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Machine Learned Force Field Modeling of Metal Organic Frameworks for CO2 Direct Air Capture

Metal organic frameworks (MOFs) are a large class of porous materials and have garnered significant interest due to their large surface areas and their tunable physical and chemical properties. Numerous prior studies have been performed to screen large databases of this material class for promising DAC sorbent materials. These studies have often relied on classical model potentials. While density functional theory (DFT) calculations have been shown to be very accurate for modeling the interaction of CO2 with MOFs, such calculations are too computationally demanding for statistically significant adsorption predictions. To overcome this barrier, we developed methods for training models to achieve DFT-level accuracy for the forces and energies associated with MOF flexibility and CO2 adsorption using machine learned force fields (MLFFs). These methods were parametrized based on DFT calculations of CO2 in a flexible MOF and used to predict MOF structural properties as well as CO2 adsorption in several MOFs.

Findley, John↗
DOE OSTI2021

Physics guided machine learning using simplified theories

Recent applications of machine learning, in particular deep learning, motivate the need to address the generalizability of the statistical inference approaches in physical sciences. In this Letter, we introduce a modular physics guided machine learning framework to improve the accuracy of such data-driven predictive engines. The chief idea in our approach is to augment the knowledge of the simplified theories with the underlying learning process. To emphasize their physical importance, our architecture consists of adding certain features at intermediate layers rather than in the input layer. To demonstrate our approach, we select a canonical airfoil aerodynamic problem with the enhancement of the potential flow theory. We include the features obtained by a panel method that can be computed efficiently for an unseen configuration in our training procedure. By addressing the generalizability concerns, our results suggest that the proposed feature enhancement approach can be effectively used in many scientific machine learning applications, especially for the systems where we can use a theoretical, empirical, or simplified model to guide the learning module.

42 ENGINEERING↗
DOE OSTI2026

Data‐Efficient Generation of Synthetic Microstructures of Polymer‐Bonded Energetic Material With Fine‐Tuned Stable Diffusion

Among current deep learning approaches for synthetic image generation, diffusion-based models stand out in terms of algorithmic stability and ability to retain high-fidelity image features with detailed resolution. Here, in this work, we employ Dreambooth, a method for fine-tuning Stable Diffusion, on X-ray CT images of microstructure of the polymer-bonded form (PBX) of a commonly used high explosive, Pentaerythritol tetranitrate (PETN), which yields generative models for creating synthetic PBX images. The models developed here represent five classes (or ‘lots’) of microstructures and demonstrate successful generation of images of each class with high fidelity, as verified by computed classification accuracy of ∼ 94% or higher. Data augmentation afforded by such image synthesis can be used to more reliably decipher underlying statistics, build processing-structure correlations, recognize off-normal structural anomalies, and identify age-related changes. Ideas related to converting image data into appropriate density mapping and performing mesoscale simulation or surrogate modeling of detonation are also discussed.

Dreambooth↗
DOE OSTI2022

Systematic quark/gluon identification with ratios of likelihoods

Discriminating between quark- and gluon-initiated jets has long been a central focus of jet substructure, leading to the introduction of numerous observables and calculations to high perturbative accuracy. At the same time, there have been many attempts to fully exploit the jet radiation pattern using tools from statistics and machine learning. We propose a new approach that combines a deep analytic understanding of jet substructure with the optimality promised by machine learning and statistics. After specifying an approximation to the full emission phase space, we show how to construct the optimal observable for a given classification task. This procedure is demonstrated for the case of quark and gluons jets, where we show how to systematically capture sub-eikonal corrections in the splitting functions, and prove that linear combinations of weighted multiplicity is the optimal observable. In addition to providing a new and powerful framework for systematically improving jet substructure observables, we demonstrate the performance of several quark versus gluon jet tagging observables in parton-level Monte Carlo simulations, and find that they perform at or near the level of a deep neural network classifier. Combined with the rapid recent progress in the development of higher order parton showers, we believe that our approach provides a basis for systematically exploiting subleading effects in jet substructure analyses at the Large Hadron Collider (LHC) and beyond.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Resolving Mesoscale Convective Systems: Grid Spacing Sensitivity in the Tropics and Midlatitudes

Abstract Mesoscale convective systems (MCSs) are a critical global water cycle component and drive extreme precipitation events in tropical and midlatitude regions. However, simulating deep convection remains challenging for modern numerical weather and climate models due to the complex interactions of processes from microscales to synoptic scales. Recent models with kilometer‐scale horizontal grid spacings offer notable improvements in simulating deep convection compared to coarser‐resolution models. Still, deficiencies in representing key physical processes, such as entrainment, lead to systematic biases. Additionally, evaluating model outputs using process‐oriented observational data remain difficult. This study presents an ensemble of MCS simulations with spanning the deep convective gray zone ( from 12 km to 125 m) in the Southern Great Plains of the U.S. and the Amazon Basin. Comparing these simulations with Atmospheric Radiation Measurement (ARM) wind profiler observations, we find greater sensitivity in the Amazon Basin compared to the Great Plains. Convective drafts converge structurally at sub‐kilometer scales, but some deficiencies remain. In both regions, simulated up and downdrafts are too deep and extreme downdrafts are not strong enough. Furthermore, Amazonian updrafts are too strong. Overall, we observe higher sensitivity in the tropics, including an artificial buildup in vertical kinetic energy at scales of , suggesting a need for 250 m in this region. Nevertheless, bulk convergence—agreement of storm‐average statistics—is achievable with kilometer‐scale simulations within a 10% error margin with 1 km providing a good balance between accuracy and computational cost.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Tilted lidar profiling: Development and testing of a novel scanning strategy for inhomogeneous flows

The most common profiling techniques for the atmospheric boundary layer based on a monostatic Doppler wind lidar rely on the assumption of horizontal homogeneity of the flow. This assumption breaks down in the presence of either natural or human-made obstructions that can generate significant flow distortions. The need to deploy ground-based lidars near operating wind turbines for the American WAKE experimeNt (AWAKEN) spurred a search for novel profiling techniques that could avoid the influence of the flow modifications caused by the wind farms. With this goal in mind, two well-established profiling scanning strategies have been retrofitted to scan in a tilted fashion and steer the beams away from the more severely inhomogeneous region of the flow. Results from a field test at the National Renewable Energy Laboratory's 135-m meteorological tower show that the accuracy of the horizontal mean flow reconstruction is insensitive to the tilt of the scan, although higher-order wind statistics are severely deteriorated at extreme tilts mainly due to geometrical error amplification. A numerical study of the AWAKEN domain based on the Weather Research and Forecasting Model and large-eddy simulation are also conducted to test the effectiveness of tilted profiling. It is shown that a threefold reduction of the error on inflow mean wind speed can be achieved for a lidar placed at the base of the turbine using tilted profiling.

17 WIND ENERGY↗
DOE OSTI2026

Correlated purification for restoring 𝑁-representability in quantum simulation

Experimentally measured reduced density matrices (RDMs) often violate constraints that ensure they represent N-electron states—known as N-representability conditions—because of statistical and hardware noise. In this work, we present a correlated purification framework based on semidefinite programming to restore the accuracy of a noisy, unphysical two-electron RDM (2-RDM). The method performs a bi-objective optimization that minimizes both the many-electron energy and the nuclear norm of the correction to the measured 2-RDM. The nuclear norm, often employed in matrix completion, promotes low-rank corrections, while the energy term acts as a regularization term that can improve the purity of the ground state. While the method is particularly effective for ground states, it can also be applied to excited and nonstationary states by decreasing the weight of the energy relative to the error norm. In an application to fermionic shadow tomography of large hydrogen chains, correlated purification yields substantial reductions in both energy and 2-RDM error, achieving chemical accuracy across dissociation curves. This framework provides a robust strategy for tomography in many-body quantum simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Investigating the clinico-anatomical dissociation in the behavioral variant of Alzheimer disease

We previously found temporoparietal-predominant atrophy patterns in the behavioral variant of Alzheimer’s disease (bvAD), with relative sparing of frontal regions. Here, we aimed to understand the clinico-anatomical dissociation in bvAD based on alternative neuroimaging markers. We retrospectively included 150 participants, including 29 bvAD, 28 “typical” amnestic-predominant AD (tAD), 28 behavioral variant of frontotemporal dementia (bvFTD), and 65 cognitively normal participants. Patients with bvAD were compared with other diagnostic groups on glucose metabolism and metabolic connectivity measured by [ 18 F]FDG-PET, and on subcortical gray matter and white matter hyperintensity (WMH) volumes measured by MRI. A receiver-operating-characteristic-analysis was performed to determine the neuroimaging measures with highest diagnostic accuracy. bvAD and tAD showed predominant temporoparietal hypometabolism compared to controls, and did not differ in direct contrasts. However, overlaying statistical maps from contrasts between patients and controls revealed broader frontoinsular hypometabolism in bvAD than tAD, partially overlapping with bvFTD. bvAD showed greater anterior default mode network (DMN) involvement than tAD, mimicking bvFTD, and reduced connectivity of the posterior cingulate cortex with prefrontal regions. Analyses of WMH and subcortical volume showed closer resemblance of bvAD to tAD than to bvFTD, and larger amygdalar volumes in bvAD than tAD respectively. The top-3 discriminators for bvAD vs. bvFTD were FDG posterior-DMN-ratios (bvAD bvFTD, area under the curve [AUC] range 0.85–0.91, all p < 0.001). The top-3 for bvAD vs. tAD were amygdalar volume (bvAD>tAD), MRI anterior-DMN-ratios (bvAD<tAD), FDG anterior-DMN-ratios (bvAD<tAD, AUC range 0.71–0.84, all p < 0.05). Subtle frontoinsular hypometabolism and anterior DMN involvement may underlie the prominent behavioral phenotype in bvAD.

59 BASIC BIOLOGICAL SCIENCES↗