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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Skopi: a simulation package for diffractive imaging of noncrystalline biomolecules

X-ray free-electron lasers (XFELs) have the ability to produce ultra-bright femtosecond X-ray pulses for coherent diffraction imaging of biomolecules. While the development of methods and algorithms for macromolecular crystallography is now mature, XFEL experiments involving aerosolized or solvated biomolecular samples offer new challenges in terms of both experimental design and data processing. Skopi is a simulation package that can generate single-hit diffraction images for reconstruction algorithms, multi-hit diffraction images of aggregated particles for training machine learning classifiers using labeled data, diffraction images of randomly distributed particles for fluctuation X-ray scattering algorithms, and diffraction images of reference and target particles for holographic reconstruction algorithms. Skopi is a resource to aid feasibility studies and advance the development of algorithms for noncrystalline experiments at XFEL facilities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

3D Printed Carbon Aerogels for Polymer-Electrolyte Fuel Cells

Carbon aerogels (CA) are known for ultra-low density, very high surface area, fine porous structure, and excellent electrical conductivity. Recent advances in high resolution 3D printing at LLNL enable the manufacturing of complex structured CA electrodes which have been demonstrated in electrolysis, flow battery, and supercapacitor applications. Polymer-electrolyte fuel cells (PEFC) may be an excellent candidate for these materials/methods as designers seek to optimize membrane-electrode assemblies to achieve higher efficiencies. A major challenge to PEFC design is two-phase flow due to water production which causes pore flooding and leads to cell instability and degradation. To mitigate these effects, groups have investigated the creation of liquid specific pathways in the porous layers to alleviate liquid buildup and enhance gas diffusion. While some progress has been made, traditionally manufactured GDLs, which consist of randomly distributed carbon fibers, are limiting. 3D printed CAs are a promising solution as complex macroporous electrode structures can be manufactured out of micro and nano porous filaments with a high level of control. Additionally, the process may allow for the consolidation of multiple layers (MPL, GDL, & flow channels) into a single printed architecture. In this work various CA lattice structures were printed using a direct ink write (DIW) method and liquid breakthrough pressures were measured to demonstrate the ability to tune the water pathways to achieve specific pressure thresholds. Furthermore, a discussion of the prospects for printed CA electrodes in PEFC will focus on material properties, synthesis techniques, and current challenges.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Mie metasurfaces for enhancing photon outcoupling from single embedded quantum emitters

Abstract Solid-state quantum emitters (QE) can produce single photons required for quantum information processing. However, their emission properties often exhibit poor directivity and polarisation definition resulting in considerable loss of generated photons. Here we propose and numerically evaluate Mie metasurface designs for outcoupling photons from an embedded and randomly-positioned QE. These Mie metasurface designs can provide over one order of magnitude enhancement in photon outcoupling with only several percent of photons being lost. Importantly, the Mie metasurfaces provide the enhancement in photon outcoupling without the need for strict QE position alignment and without affecting the intrinsic QE emission rate (Purcell enhancement). Electric dipole modes are key for achieving the enhancement and they offer a path for selective outcoupling for photons emitted with specific polarisation, including the out-of-plane polarisation. Mie metasurfaces can provide an efficient, polarisation-selective and scalable platform for QEs.

Prescott, Samuel↗
NASA NTRS1976

A stop-restart solid propellant study with salt quench

Experiments were conducted to gain insight into the unsatisfactory performance of the salt quench system of solid propellants in earlier studies. Nine open-air salt spray tests were conducted and high-speed cinematographic coverage was obtained of the events. It is shown that the salt spray by the detonator is generally a two-step process yielding two different fractions. The first fraction consists of finely powdered salt and moves practically unidirectionally at a high velocity (thousand of feet per second) while the second fraction consists of coarse particles and moves randomly at a low velocity (a few feet per second). Further investigation is required to verify the speculation that a lower quench charge ratio (weight of salt/propellant burning area) than previously employed may lead to an efficient quench

Kumar, R. N.↗
NASA NTRS1979

Performability evaluation of the SIFT computer

Performability modeling and evaluation techniques are applied to the SIFT computer as it might operate in the computational evironment of an air transport mission. User-visible performance of the total system (SIFT plus its environment) is modeled as a random variable taking values in a set of levels of accomplishment. These levels are defined in terms of four attributes of total system behavior: safety, no change in mission profile, no operational penalties, and no economic process whose states describe the internal structure of SIFT as well as relavant conditions of the environment. Base model state trajectories are related to accomplishment levels via a capability function which is formulated in terms of a 3-level model hierarchy. Performability evaluation algorithms are then applied to determine the performability of the total system for various choices of computer and environment parameter values. Numerical results of those evaluations are presented and, in conclusion, some implications of this effort are discussed.

Meyer, J. F.↗
NASA NTRS1988

International Conference on Advances in Communication and Control Systems, 1st, Washington, DC, June 18-20, 1987, Proceedings

Theoretical models of communication and control systems are discussed in reviews and reports. Topics addressed include smoothing and identification for random fields, the information and coding capacities of mismatched Gaussian channels, recursive least-squares estimation and Kalman filtering by systolic arrays, Kemp echo digital filters, a periodic test-scheduling scheme for communication and queuing processes, and receivers for direct-sequence systems. Consideration is given to a distributed-parameter model for detecting cracks in rotors, active control of aeroelastic systems governed by functional differential equations, robust multivariable control of large space structures, finite-rank relatively bounded perturbations of semigroup generators, and sensitivity analysis of convex optimal-control problems.

Declaris, Nicholas↗
NASA NTRS1996

Chain Dynamics in a Dilute Magnetorheological Fluid

The structure, formation, and dynamics of dilute, mono-dispersive ferrofluid emulsions in an external magnetic field have been investigated using dynamic light scattering techniques. In the absence of the magnetic field, the emulsion particles are randomly distributed and behave like hard spheres in Brownian motion. An applied magnetic field induces a magnetic dipole moment in each particle. Dipolar interactions between particles align them into chains where correlation functions show two decay processes. The short-time decay shows the motion of straight chains as a whole where the apparent chain length increases with the applied magnetic field and the particle volume fraction. Good scaling results are obtained showing that the apparent chain length grows with time following a power law with exponent of 0.6 and depends on the applied field, particle volume fraction, and diffusion constant of the particles. The long-time decay in the correlation function shows oscillation when the chains reach a certain length with time and stiffness with threshold field This result shows that chains not only fluctuate, but move in a periodic motion with a frequency of 364 Hz at lambda = 15. It may suggest the existence of phonons. This work is the first step in the understanding of the structure formation, especially chain coarsening mechanism, of magnetorheological (MR) fluids at higher volume fractions.

Liu, Jing↗
NASA NTRS2019

Evaluating Combinations of Sentinel-2 Data and Machine-Learning Algorithms for Mangrove Mapping in West Africa

Creating a national baseline for natural resources, such as mangrove forests, and monitoring them regularly often requires a consistent and robust methodology. With freely available satellite data archives and cloud computing resources, it is now more accessible to conduct such large-scale monitoring and assessment. Yet, few studies examine the reproducibility of such mangrove monitoring frameworks, especially in terms of generating consistent spatial extent. Our objective was to evaluate a combination of image processing approaches to classify mangrove forests along the coast of Senegal and The Gambia. We used freely available global satellite data (Sentinel-2), and cloud computing platform (Google Earth Engine) to run two machine learning algorithms, random forest (RF), and classification and regression trees (CART). We calibrated and validated the algorithms using 800 reference points collected using high-resolution images. We further re-ran 10 iterations for each algorithm, utilizing unique subsets of the initial training data. While all iterations resulted in thematic mangrove maps with over 90% accuracy, the mangrove extent ranges between 827-2807 km2 for Senegal and 245-1271 km2 for The Gambia with one outlier for each country. We further report "Places of Agreement" (PoA) to identify areas where all iterations for both methods agree (506.6 km2 and 129.6 km2 for Senegal and The Gambia, respectively), thus have a high confidence in predicting mangrove extent. While we acknowledge the time- and cost-effectiveness of such methods for the landscape managers, we recommend utilizing them with utmost caution, as well as post-classification on-the-ground checks, especially for decision making.

Mondal, Pinki↗
DOE OSTI2024

Ensemble variational Fokker-Planck methods for data assimilation

Particle flow filters solve Bayesian inference problems by smoothly transforming a set of particles into samples from the posterior distribution. Particles move in state space under the flow of an McKean-Vlasov-Itˆo process. This work introduces the Variational Fokker-Planck (VFP) framework for data assimilation, a general approach that includes previously known particle flow filters as special cases. The McKean-Vlasov-Itˆo process that transforms particles is defined via an optimal drift that depends on the selected diffusion term. It is established that the underlying probability density - sampled by the ensemble of particles - converges to the Bayesian posterior probability density. For a finite number of particles the optimal drift contains a regularization term that nudges particles toward becoming independent random variables. Based on this analysis, we derive computationally-feasible approximate regularization approaches that penalize the mutual information between pairs of particles, and avoid particle collapse. Moreover, the diffusion plays a role akin to a particle rejuvenation approach that aims to alleviate particle collapse. The VFP framework is very flexible. Different assumptions on prior and intermediate probability distributions can be used to implement the optimal drift, and localization and covariance shrinkage can be applied to alleviate the curse of dimensionality. A robust implicit-explicit method is discussed for the efficient integration of stiff McKean- Vlasov-Itˆo processes. Here, the effectiveness of the VFP framework is demonstrated on three progressively more challenging test problems, namely the Lorenz ’63, Lorenz ’96 and the quasi-geostrophic equations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Model based estimation of image depth and displacement

Passive depth and displacement map determinations have become an important part of computer vision processing. Applications that make use of this type of information include autonomous navigation, robotic assembly, image sequence compression, structure identification, and 3-D motion estimation. With the reliance of such systems on visual image characteristics, a need to overcome image degradations, such as random image-capture noise, motion, and quantization effects, is clearly necessary. Many depth and displacement estimation algorithms also introduce additional distortions due to the gradient operations performed on the noisy intensity images. These degradations can limit the accuracy and reliability of the displacement or depth information extracted from such sequences. Recognizing the previously stated conditions, a new method to model and estimate a restored depth or displacement field is presented. Once a model has been established, the field can be filtered using currently established multidimensional algorithms. In particular, the reduced order model Kalman filter (ROMKF), which has been shown to be an effective tool in the reduction of image intensity distortions, was applied to the computed displacement fields. Results of the application of this model show significant improvements on the restored field. Previous attempts at restoring the depth or displacement fields assumed homogeneous characteristics which resulted in the smoothing of discontinuities. In these situations, edges were lost. An adaptive model parameter selection method is provided that maintains sharp edge boundaries in the restored field. This has been successfully applied to images representative of robotic scenarios. In order to accommodate image sequences, the standard 2-D ROMKF model is extended into 3-D by the incorporation of a deterministic component based on previously restored fields. The inclusion of past depth and displacement fields allows a means of incorporating the temporal information into the restoration process. A summary on the conditions that indicate which type of filtering should be applied to a field is provided.

Damour, Kevin T.↗
DOE OSTI2024

Transitioning from Simulation to Reality: Applying Chatter Detection Models to Real-World Machining Data

Chatter, a self-excited vibration phenomenon, is a critical challenge in high-speed machining operations, affecting tool life, product surface quality, and overall process efficiency. While machine learning models trained on simulated data have shown promise in detecting chatter, their real-world applicability remains uncertain due to discrepancies between simulated and actual machining environments. The primary goal of this study is to bridge the gap between simulation-based machine learning models and real-world applications by developing and validating a Random Forest-based chatter detection system. This research focuses on improving manufacturing efficiency through reliable chatter detection by integrating Operational Modal Analysis (OMA), Receptance Coupling Substructure Analysis (RCSA), and Transfer Learning (TL). The study applies a Random Forest classification model trained on over 140,000 simulated machining datasets, incorporating techniques like Operational Modal Analysis (OMA), Receptance Coupling Substructure Analysis (RCSA), and Transfer Learning (TL) to adapt the model for real-world operational data. The model is validated against 1600 real-world machining datasets, achieving an accuracy of 86.1%, with strong precision and recall scores. The results demonstrate the model’s robustness and potential for practical implementation in industrial settings, highlighting challenges such as sensor noise and variability in machining conditions. This work advances the use of predictive analytics in machining processes, offering a data-driven solution to improve manufacturing efficiency through more reliable chatter detection.

42 ENGINEERING↗
DOE OSTI2025

Using mid-infrared spectroscopy to estimate soil microbial properties at the continental scale

Understanding microbial community properties is critical to improving the predictions of biogeochemical processes for enhancing soil carbon sequestration. Here, in this observational study, mid-infrared (MIR) spectroscopy and partial least squares regression was used to predict soil microbial and chemical properties from diverse ecosystems across the continental USA. Random calibration and validation demonstrated the prediction potential for soil properties using MIR spectra, with the strongest predictions for microbial respiration, followed by microbial biomass carbon and nitrogen, ß-glucosidase activity, as well as soil chemical properties including organic carbon and total nitrogen. Microbial properties were mainly positively correlated to spectral regions associated with aliphatic C-H groups and C=O stretches of polysaccharides and negatively correlated to quartz and silicate-associated regions. We conclude that MIR spectroscopy can characterize soil microbial functions and be useful for the improvement of continental-scale soil carbon modeling and prediction programs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Evaluating 239 Pu(n,f) cross sections via machine learning using experimental data, covariances, and measurement features

In this paper, the neutron-induced 239 Pu fission cross section, 239 Pu(n,f), is evaluated from 1–20 MeV using experimental data and associated covariances while also considering information on the measurement, termed features here. For instance, methods to determine the background, sample backing material, or impurities in the sample, are explicitly taken into account in the evaluation process. To this end, outliers in the experimental data are identified with a modified version of the Hybrid Robust Support Vector Machine. In a second step, two machine learning methods (logistic regression with elastic net regularization and random forest regression with SHAP feature importance metric) are used to highlight measurement features that are common among many of the outlying data points. Based on this analysis, penalty uncertainties are added to the experimental covariances of outlying data points that have outlier measurement features and are put through the generalized-least-squares evaluation. The resulting evaluated mean values and covariances differ distinctly from those data evaluated without the penalty uncertainties. These results highlight that certain measurement features should be more closely examined.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2019

Accelerating and Parallelizing Lagrangian Simulations of Mixing-Limited Reactive Transport

Recent advances in random walk particle tracking have enabled direct simulation of mixing and reactions by allowing the particles to interact with each other using a multipoint mass transfer scheme. The mass transfer scheme allows separation of mixing and spreading processes, among other advantages, but it is computationally expensive because its speed depends on the number of interacting particle pairs. This note explores methods for relieving the computational bottleneck caused by the mass transfer step, and we use these algorithms to develop a new parallel, interacting particle model. The new model is a combination of a sparse search algorithm and a novel domain decomposition scheme, both of which offer significant speedup relative to the reference case—even when they are executed serially. We combine the strengths of these methods to create a parallel particle scheme that is highly accurate and efficient with run times that scale as 1/P for a fixed number of particles, where P is the number of computational cores (equivalently, subdomains, in this work) being used. Here, the new parallel model is a significant advance because it enables efficient simulation of large particle ensembles that are needed for environmental simulations and also because it can naturally pair with parallel geochemical solvers to create a practical Lagrangian tool for simulating mixing and reactions in complex chemical systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Using Machine Learning to Predict Cloud Turbulent Entrainment–Mixing Processes

Different turbulent entrainment–mixing mechanisms between clouds and environment are essential to cloud–related processes; however, accurate representation of entrainment–mixing in weather/climate models still poses a challenge. This study exploits the use of machine learning (ML) to address this challenge. Four ML (Light Gradient Boosting Machine [LGB], eXtreme Gradient Boosting, Random Forest, and Support Vector Regression) are examined and compared. It is found that LGB performs best, and thus is selected to understand the impact of entrainment–mixing on microphysics using simulation data from Explicit Mixing Parcel Model. Compared with traditional parameterizations, the trained LGB provides more accurate microphysical properties (number concentration and cloud droplet spectral dispersion). The partial dependences of predicted microphysics on features exhibit a strong alignment with physical mechanisms and expectations, as determined by the interpreting method, thus overcoming the limitations of the “black box” scheme. The underlying mechanisms are that the smaller number concentration and larger spectral dispersion correspond to more inhomogeneous entrainment–mixing. Specifically, number concentration after entrainment–mixing is positively correlated with adiabatic number concentration and liquid water content affected by entrainment–mixing, and inversely correlated with adiabatic volume mean radius. Spectral dispersion after entrainment–mixing is negatively correlated with liquid water content affected by entrainment–mixing, turbulent dissipation rate and relative humidity of entrained air. Sensitivity analysis further suggests that number concentration is mainly determined by cloud microphysical properties whereas spectral dispersion is influenced by both cloud microphysical properties and environmental variables. The results indicate that the LGB scheme has the potential to enhance the representation of entrainment–mixing in weather/climate models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Studying language evolution in the age of big data

The increasing availability of large digital corpora of cross-linguistic data is revolutionizing many branches of linguistics. Overall, it has triggered a shift of attention from detailed questions about individual features to more global patterns amenable to rigorous, but statistical, analyses. This engenders an approach based on successive approximations where models with simplified assumptions result in frameworks that can then be systematically refined, always keeping explicit the methodological commitments and the assumed prior knowledge. Therefore, they can resolve disputes between competing frameworks quantitatively by separating the support provided by the data from the underlying assumptions. These methods, though, often appear as a ‘black box’ to traditional practitioners. In fact, the switch to a statistical view complicates comparison of the results from these newer methods with traditional understanding, sometimes leading to misinterpretation and overly broad claims. We describe here this evolving methodological shift, attributed to the advent of big, but often incomplete and poorly curated, data, emphasizing the underlying similarity of the newer quantitative to the traditional comparative methods and discussing when and to what extent the former have advantages over the latter. In this review, we cover briefly both randomization tests for detecting patterns in a largely model-independent fashion and phylolinguistic methods for a more model-based analysis of these patterns. We foresee a fruitful division of labor between the ability to computationally process large volumes of data and the trained linguistic insight declaring worthy prior commitments and interesting hypotheses in need of comparison.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2024

DLSIA: Deep Learning for Scientific Image Analysis

DLSIA (Deep Learning for Scientific Image Analysis) is a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network (CNN) architectures for a wide variety of tasks in image analysis to be used in downstream data processing. DLSIA features easy-to-use architectures, such as autoencoders, tunable U-Nets and parameter-lean mixed-scale dense networks (MSDNets). Additionally, this article introduces sparse mixed-scale networks (SMSNets), generated using random graphs, sparse connections and dilated convolutions connecting different length scales. For verification, several DLSIA-instantiated networks and training scripts are employed in multiple applications, including inpainting for X-ray scattering data using U-Nets and MSDNets, segmenting 3D fibers in X-ray tomographic reconstructions of concrete using an ensemble of SMSNets, and leveraging autoencoder latent spaces for data compression and clustering. As experimental data continue to grow in scale and complexity, DLSIA provides accessible CNN construction and abstracts CNN complexities, allowing scientists to tailor their machine learning approaches, accelerate discoveries, foster interdisciplinary collaboration and advance research in scientific image analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Dual transposon sequencing profiles the genetic interaction landscape in bacteria

Gene redundancy complicates systematic characterization of gene function as single-gene deletions may not produce discernible phenotypes. We report dual transposon sequencing (dual Tn-seq), a platform for assaying the fitness of a comprehensive double mutant pool in parallel. Dual Tn-seq couples random barcode transposon site sequencing with the Cre-lox system, enabling deep sampling of 73% of the 1.3 million possible double gene deletions in Streptococcus pneumoniae. The genetic interactions identified span a wide range of biochemical processes, revealing new factors in presumably well-studied pathways, exemplified by a cytidine triphosphate synthase PyrJ. Moreover, this approach should permit further investigation of growth condition–specific genetic interactions. Because dual Tn-seq does not require the construction of a large array of single mutants, it should be readily adaptable to various microorganisms.

CTP synthesis↗