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DOE OSTI2020

Azimuthal correlations of prompt D mesons with charged particles in pp and p–Pb collisions at ${\sqrt{s_\mathrm{NN}}} = 5.02\ \hbox {TeV}$

The measurement of the azimuthal-correlation function of prompt D mesons with charged particles in pp collisions at $\sqrt{s} =5.02\ \hbox {TeV}$ and p–Pb collisions at $\sqrt{s_{\mathrm{NN}}} = 5.02\ \hbox {TeV}$ with the ALICE detector at the LHC is reported. The $\mathrm{D}^{0}$ , $\mathrm{D}^{+} $ , and $\mathrm{D}^{*+} $ mesons, together with their charge conjugates, were reconstructed at midrapidity in the transverse momentum interval $3< p_\mathrm{T} < 24\ \hbox {GeV}/c$ and correlated with charged particles having $p_\mathrm{T} > 0.3\ \hbox {GeV}/c$ and pseudorapidity $|\eta | < 0.8$ . The properties of the correlation peaks appearing in the near- and away-side regions (for $\Delta \varphi \approx 0$ and $\Delta \varphi \approx \pi $ , respectively) were extracted via a fit to the azimuthal correlation functions. The shape of the correlation functions and the near- and away-side peak features are found to be consistent in pp and p–Pb collisions, showing no modifications due to nuclear effects within uncertainties. The results are compared with predictions from Monte Carlo simulations performed with the PYTHIA, POWHEG+PYTHIA, HERWIG, and EPOS 3 event generators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

A High-Throughput Computing Infrastructure to Generate Custom, Open Community Geothermal Datasets

The most significant challenge facing geothermal research, development, and deployment is a lack of comprehensive datasets describing the geological and economical properties of North America. Automated knowledge base construction, the process of designing algorithms to analyze text and images to programmatically build new datasets, is one possible solution to this problem. The xDD library of full-text scientific articles (https://xdd.wisc.edu) is one of the largest collections of open and controlled-access scientific documents available for knowledge base construction in the world, but it has been underutilized by experts in geothermal research. The xDD development team attributed the lack of engagement by software developers and geothermal researchers to two perceived shortcomings of the system. First, the workflow for obtaining data from xDD for local development and testing of data mining applications was unnecessarily abstruse and required significant manual intervention by xDD systems administrators. Second, although xDD already held articles from a broad cross-section of scientific literature with an emphasis on the geosciences, it did not have an explicit set of geothermal research documents that could serve as the nucleus of a geothermal data mining application. To address these issues, the Automated Data Extraction PlaTform (ADEPT) was proposed to extend the data distribution capabilities of the xDD system. The ADEPT extension added the following four key features to xDD: 1) integration of National Geothermal Data System (NGDS) documents into the xDD library to provide an explicitly geothermally-themed collection; 2) improved RESTful (i.e., https-protocol driven) web services for external partners to access xDD data for machine learning application development; 3) a web platform for end-users and xDD administrators to coordinate the development of data mining applications from the initial step of browsing available documents to the final stage of deploying a production-quality machine learning application on high-throughput computing infrastructure; and 4) the development of demonstration data mining applications to illustrate the new workflow to potential collaborators. A total of 21,674 geothermal documents from NGDS were fully ingested into the xDD library and the associated metadata is publicly available through the xDD web services; furthermore, the ADEPT web platform is now publicly accessible and fully live at https://xdd.wisc.edu/adept/.

15 GEOTHERMAL ENERGY↗

DOE OSTI2020

Automatic Échelle Spectrograph Wavelength Calibration

Time-domain astronomy and the increasing number of exoplanet candidates call for reliable, robust, and automatic wavelength calibration. We present an algorithm for wavelength-calibrating échelle spectrographs that uses order-by-order extracted spectra and a list of laboratory wavelengths. Our approach is fully automatic and does not need the pixel locations of certain spectral features with which to anchor the wavelength solution, nor the true order number of each diffraction order. We use spectral features that are duplicated in adjacent orders to establish the scale-invariant component of the wavelength solution. We then match the central wavelengths of spectral features to laboratory wavelengths to establish the scale and higher-order components of the wavelength solution. We demonstrate our method on the four spectrographs of Las Cumbres Observatory’s Network of Robotic Échelle Spectrographs (NRES), on the High Accuracy Radial Velocity Planet Searcher (HARPS) spectrograph, and on synthetic data. We obtain a velocity-equivalent precision of ∼10 m s{sup −1} on NRES. We achieve ∼1 m s{sup −1} on HARPS, which agrees with the precision reported by the HARPS team. On synthetic data, we achieve the velocity precision set by Gaussian centroiding errors. Our algorithm likely holds for a wide range of spectrographs beyond the five presented here. We provide an open-source Python package, xwavecal, which outputs wavelength-calibrated spectra as well as the wavelengths of spectral features.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1982

Effects of spatial resolution

Studies of the effects of spatial resolution on extraction of geologic information are woefully lacking but spatial resolution effects can be examined as they influence two general categories: detection of spatial features per se; and the effects of IFOV on the definition of spectral signatures and on general mapping abilities.

Abrams, M.↗

NASA NTRSDate not supplied

Low SWaP Onboard Satellite Navigation, Guidance, and Control Technology

Onboard autonomy is a necessity for responsive space operations. Autonomous navigation, guidance, and control (NGC) enables space missions to reduce their dependence on high demand ground assets and costly ground personnel. It also allows for in-situ decision making and higher return on mission data. A flight software and hardware system providing this capability, called “autoNGC,” is currently being developed at NASA Goddard Space Flight Center for infusion into multiple future missions. The first build of autoNGC, providing autonomous navigation for lunar orbiting spacecraft, is targeted for completion by Fall 2024. It provides sensor fusion of multiple measurement types including pseudo-range from a weak signal Global Navigation Satellite Service (GNSS) receiver, 1-way and 2-way direct to Earth (DTE) range and Doppler, bearing and range from optical camera sensed images, and an accelerometer. AutoNGC is also being targeted for future missions that involve small body proximity operations, Sun Earth Libration point orbits, and distributed systems missions (DSMs) including those at outer planets. AutoNGC flight software is being built upon the plug-and-play architecture of the core Flight System (cFS) [Ref. 1]. Figure (Slide 7) shows the message-based software bus layout of various software applications (“apps”) consisting of the standard cFS apps and autoNGC interface apps and libraries. Accurate onboard navigation and timing is obtained through the Goddard Enhanced Onboard Navigation System (GEONS) software library [Ref. 2], which fuses different measurement types through an extended Kalman filter (EKF) framework. Optical measurements that are ingested in GEONS are provided by the cFS Goddard Image Analysis and Navigation Tool (cGIANT) app [Ref. 3]. This app processes optical images to extract the bearing angles of the centroid of the imaged body (near or far), the range to the imaged body, and/or of the features on the surface of a body to perform terrain relative navigation (TRN). Measurement of range to the body’s center of mass can also be derived from the detection of the limb. The first build of autoNGC for a lunar orbiting spacecraft is a minimal size, weight, and power (SWaP) hardware design allowing for inclusion into CubeSats and SmallSat-size class buses. Advancements in miniaturized space processors, such as the SpaceCube 3.0 Mini and the SpaceCube Mini-Z [Ref. 4] are utilized for low SWaP while maintaining a high level of performance. Figure (Slide 11) shows the composition of the first autoNGC build. The current enclosure design has dimensions 12 cm x 17 cm x 13.5 cm. The box mass is expected to be less than 2 kg, and the nominal power is 21 W. The hardware interfaces are designed for flexibility with a variety of sensor inputs. The achievable navigation performance depends on the sensors utilized, including the onboard clock for 1-way pseudo-range measurements. Analysis using a configuration that consists of weak signal GPS, TRN, and 1-way DTE has shown position and velocity accuracies of 10 meters and 2 cm/s (3-σ ) RSS, respectively, with onboard time knowledge estimated to better than 13 ns (3-σ ), for a spacecraft in a representative 12-hour eccentric lunar orbit. Other measurement types such as x-rays from known pulsars (called XNAV) and cross-links can also be processed in GEONS. With the plug-and-play architecture of autoNGC, cFS apps can easily be added and replaced, even after launch. Goddard is actively seeking partners to collaborate in the development of additional capabilities for autoNGC, including industry, academia, and others across the US Government. Plans are being formulated to make the autoNGC software platform available for use by any US government organization to leverage the non-recurring engineering associated with the development of onboard autonomous NGC 3 capabilities. As advancements in space qualified sensors, microprocessors, and algorithms are made, the autoNGC platform provides a ready starting point for inclusion of these technologies.

C. J. Gramling↗

DOE OSTI2025

BatteryPro: A Python Toolkit for Battery Data Analysis and Machine Learning Predictions

Analyzing battery test data for research & development can be time-consuming since battery tests often run on the order of months to years, generating large volumes of data. BatteryPro is a comprehensive Python package and software designed to facilitate advanced analysis and performance predictions for battery test data. Developed for battery researchers, it supports data types from widely used battery testing instruments, including MACCOR and Biologic cycling systems. The software provides a variety of tools for extracting and plotting key battery parameters such as time, voltage, capacity, current, and pressure. In addition to its extensive data analysis capabilities, BatteryPro features a dedicated machine learning module that employs a Bayesian Gaussian Mixture Model (GMM) to predict battery performance and degradation. Users can generate synthetic capacity fade data, calculate fade metrics, and leverage predictive models to forecast long-term battery behavior. The software's graphical user interface (GUI) enhances usability, allowing researchers to upload, merge, and analyze multiple data files with full customizability. The GUI also supports machine learning predictions, enabling users to fit models and make predictions based on selected data and parameters. BatteryPro is built using QtDesigner, scikit-learn, matplotlib, and pandas, ensuring a high level of customization, flexibility, and accuracy in battery data analysis. This tool aims to empower researchers with the ability to perform detailed battery analysis and make informed predictions, ultimately advancing the field of battery research.

25 - ENERGY STORAGE↗

NASA NTRS1991

Automated extraction of metadata from remotely sensed satellite imagery

The paper discusses research in the Intelligent Data Management project at the NASA/Goddard Space Flight Center, with emphasis on recent improvements in low-level feature detection algorithms for performing real-time characterization of images. Images, including MSS and TM data, are characterized using neural networks and the interpretation of the neural network output by an expert system for subsequent archiving in an object-oriented data base. The data show the applicability of this approach to different arrangements of low-level remote sensing channels. The technique works well when the neural network is trained on data similar to the data used for testing.

Cromp, Robert F.↗

DOE OSTI2018

Evaluating Support for OpenMP Offload Features

The OpenMP language features have been evolving to meet the rapid development in hardware platforms. DOE applications tend to push the bleeding edge of features ratified in the OpenMP specification and tend to expose the rough edges of the features' implementations. The software harness on DOE supercomputers such as Titan and (upcoming) Summit include Cray, Clang, Flang, XL and GCC compilers. It is critical, especially for Summit, that the compilers support OpenMP offloading features. This paper focuses on evaluating support for OpenMP 4.5 target offload directives across compiler implementations on Titan and Summitdev, an early access system, which is one generation removed from Summit's architecture enabling application teams to test the systems' architecture. Our tests not only evaluate the OpenMP implementations but also expose ambiguities in the OpenMP 4.5 specification. We also evaluate compiler implementations using kernels extracted from production DOE applications. This helps in assessing the interaction of different OpenMP directives independent of other application artifacts. We are aware that the implementations are constantly evolving and are advertised as having only partial OpenMP 4.x support. We see this as a synergistic effort to help identify and correct features that are required by DOE applications and prevent deployment delays later on. Going forward, we also plan to interact with standard benchmarking bodies like SPEC/HPG to donate our tests and mini-apps/kernels for potential inclusion in the next release versions of SPEC OMP and SPEC ACCEL benchmark suites.

Monsalve Diaz, Jose↗

DOE OSTI2025

Deep Factorization Machine Learning for Disaggregation of Transmission Load Profiles with High Penetration of Behind-The-Meter Solar

The ever-growing integration of distributed energy resources (DERs), especially behind-the-meter (BTM) solar generations, poses imperative operational challenges to system operators such as regional transmission organizations (RTOs). It is important for RTOs to effectively and accurately extract actual load profiles at the transmission level for a single node with significant BTM solar injection. This paper first illustrates the necessity of disaggregating the daily actual load profile of a single node. Furthermore, by segmenting nodes with selected timeseries features, nodes with significant BTM solar generation are identified. Lastly, a bi-level framework is proposed, comprising reference node disaggregation and DeepFM nodal disaggregation, aimed at disaggregating the nodal load profiles from which system operators require more information. By adopting a hybrid Deep Factorization Machine (DeepFM) model, the model achieve accurate results by extracting both linear and nonlinear relations between nodes in the same region and the zonal load and nodal load profile. To overcome the lack of ground truth, this paper segments the load profile into daytime, nighttime, and zero-crossing points and utilizes the latter two for evaluation purposes. The proposed disaggregation procedure is validated using real world, minute-level, normalized, and anonymized nodal data in the PJM service territory.

42 ENGINEERING↗

NASA NTRS1993

A parallel implementation of a multisensor feature-based range-estimation method

There are many proposed vision based methods to perform obstacle detection and avoidance for autonomous or semi-autonomous vehicles. All methods, however, will require very high processing rates to achieve real time performance. A system capable of supporting autonomous helicopter navigation will need to extract obstacle information from imagery at rates varying from ten frames per second to thirty or more frames per second depending on the vehicle speed. Such a system will need to sustain billions of operations per second. To reach such high processing rates using current technology, a parallel implementation of the obstacle detection/ranging method is required. This paper describes an efficient and flexible parallel implementation of a multisensor feature-based range-estimation algorithm, targeted for helicopter flight, realized on both a distributed-memory and shared-memory parallel computer.

Suorsa, Raymond E.↗

NASA NTRS1993

A parallel implementation of a multisensor feature-based range-estimation method

Suorsa, Raymond E.↗

DOE OSTI2023

Combining variational autoencoders and physical bias for improved microscopy data analysis *

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as electron energy loss spectroscopy or 4D scanning transmission electron microscope, that contain information on a wide range of structural, physical, and chemical properties of materials. To extract valuable insights from these data, it is crucial to identify physically separate regions in the data, such as phases, ferroic variants, and boundaries between them. In order to derive an easily interpretable feature analysis, combining with well-defined boundaries in a principled and unsupervised manner, here we present a physics augmented machine learning method which combines the capability of variational autoencoders to disentangle factors of variability within the data and the physics driven loss function that seeks to minimize the total length of the discontinuities in images corresponding to latent representations. Our method is applied to various materials, including NiO-LSMO, BiFeO 3 , and graphene. The results demonstrate the effectiveness of our approach in extracting meaningful information from large volumes of imaging data. The customized codes of the required functions and classes to develop phyVAE is available at https://github.com/arpanbiswas52/phy-VAE.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A User-Friendly GUI Tool for Automated Microstructural Analysis of Fiber-Reinforced Composites and Porous Structures

Understanding and quantifying microstructural features such as fiber orientation and porosity is critical for predicting the mechanical behavior and performance of fiber-reinforced polymer composites. Traditional manual analysis is time-consuming, subjective, and unsuitable for high-throughput datasets. We present a graphical user interface (GUI) application that automates the analysis of microscopy images to extract key microstructural metrics, including fiber orientation tensors, fiber orientation distribution, porosity and pore size distribution. The app integrates multiple image segmentation techniques including global and local thresholding, clustering, and region-based approaches, offering flexibility for different types of image qualities and features. Users can load microstructural images, select regions of interest and segmentation techniques tailored to their image dataset. It also addresses a critical challenge in fiber orientation analysis: the ambiguities caused by touching, overlapping, or partially cut fibers. It supports autorun examples for standardized workflows, enabling reproducible analysis and facilitating training and benchmarking. This tool significantly reduces manual intervention, enhances consistency, and accelerates data generation for structure–property modeling, process optimization, and digital materials research. The tool is intended for use by materials scientists, engineers, and researchers engaged in composite characterization, quality control, and machine learning-based microstructural studies.

Chawla, Komal [ORNL] (ORCID:0000000190327565)↗

NASA NTRS1996

Development of Collaborative Research Initiatives to Advance the Aerospace Sciences-via the Communications, Electronics, Information Systems Focus Group

The primary goal of the Adaptive Vision Laboratory Research project was to develop advanced computer vision systems for automatic target recognition. The approach used in this effort combined several machine learning paradigms including evolutionary learning algorithms, neural networks, and adaptive clustering techniques to develop the E-MOR.PH system. This system is capable of generating pattern recognition systems to solve a wide variety of complex recognition tasks. A series of simulation experiments were conducted using E-MORPH to solve problems in OCR, military target recognition, industrial inspection, and medical image analysis. The bulk of the funds provided through this grant were used to purchase computer hardware and software to support these computationally intensive simulations. The payoff from this effort is the reduced need for human involvement in the design and implementation of recognition systems. We have shown that the techniques used in E-MORPH are generic and readily transition to other problem domains. Specifically, E-MORPH is multi-phase evolutionary leaming system that evolves cooperative sets of features detectors and combines their response using an adaptive classifier to form a complete pattern recognition system. The system can operate on binary or grayscale images. In our most recent experiments, we used multi-resolution images that are formed by applying a Gabor wavelet transform to a set of grayscale input images. To begin the leaming process, candidate chips are extracted from the multi-resolution images to form a training set and a test set. A population of detector sets is randomly initialized to start the evolutionary process. Using a combination of evolutionary programming and genetic algorithms, the feature detectors are enhanced to solve a recognition problem. The design of E-MORPH and recognition results for a complex problem in medical image analysis are described at the end of this report. The specific task involves the identification of vertebrae in x-ray images of human spinal columns. This problem is extremely challenging because the individual vertebra exhibit variation in shape, scale, orientation, and contrast. E-MORPH generated several accurate recognition systems to solve this task. This dual use of this ATR technology clearly demonstrates the flexibility and power of our approach.

Knasel, T. Michael↗

DOE OSTI2025

Low Greenhouse Gas (GHG) Vehicle Technologies Research, Development, Demonstration and Deployment Topic 5 Natural Gas Engine Enabling Technologies

A 10 liter natural gas engine has been developed with significant improvements in efficiency while maintaining ultra low NOx emissions and meeting all other EPA criteria emissions limits. This was accomplished through design and analysis of performance components specifically for operation with natural gas in contrast to current production engines which are a minimally modified diesel engine that retain most diesel design features including a flat deck swirl head. The architecture developed here includes a pent roof cylinder head with tumble charge motion and cooling passages specifically optimized for effective cooling around the spark plug and valve bridges. Also in contrast to current production natural gas engines, EGR was not used, in part to avoid the initial cost and warranty expense associated with EGR systems, but also for performance benefits of faster combustion, reduced risk of misfire and high open cycle efficiency due to the turbocharger’s ability to extract energy from the high temperature exhaust. The exhaust manifold uses high temperature material and thermal mechanical fatigue analysis was completed to ensure the ability to withstand high exhaust temperatures without EGR. Other features include dual overhead cam with late intake valve closing Miller cycle and 14:1 compression ratio steel pistons. Low NOx emissions are achieved with stoichiometric combustion and application of a close coupled plus underfloor three way catalysts. The program target of peak brake thermal efficiency of 42% has been demonstrated along with bsNOx of 0.02 g/hp-hr over HD-FTP and RMCSET emissions cycles.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2019

Multiscale hysteresis threshold detection algorithm for a small infrared target in a complex background

In the infrared small target detection, the clutter formed by buildings, trees and protruding clouds is densely distributed and difficult to filter out. The hysteresis threshold detection algorithm utilizes the geometric features of small target to reduce false alarms. Images are filtered in multiple scales, the location and scale of the points of interest are extracted by non-maximum suppression. To determine the connection state of the focus and clutter, local gradient second-order origin moment is proposed to eliminate strong edges. The hysteresis threshold segmentation is performed to exclude stubborn false alarms and detect small targets. Experiments show that the proposed algorithm has a significant effect in removing false alarms, and achieves both the high detection probability and low false alarm probability.

42 ENGINEERING↗

DOE OSTI2023

Determination of the relative orientation between 15 N- 1 H dipolar coupling and 1 H chemical shift anisotropy tensors under fast MAS solid-state NMR

Here, in this work, we have proposed a proton-detected three-dimensional (3D) 15 N- 1 H dipolar coupling (DIP)/ 1 H chemical shift anisotropy (CSA)/ 1 H chemical shift (CS) correlation experiment to measure the relative orientation between the 15 N- 1 H dipolar coupling and the 1 H CSA tensors under fast magic angle spinning (MAS) solid-state NMR. In the 3D correlation experiment, the 15 N- 1 H dipolar coupling and 1 H CSA tensors are recoupled using our recently developed windowless C-symmetry-based $C3^{1}_{3}$-ROCSA (recoupling of chemical shift anisotropy) DIPSHIFT and $C3^{1}_{3}$-ROCSA pulse-based methods, respectively. The 2D 15 N- 1 H DIP/ 1 H CSA powder lineshapes extracted using the proposed 3D correlation method are shown to be sensitive to the sign and asymmetry of the 1 H CSA tensor, a feature that allows the determination of the relative orientation between the two correlating tensors with improved accuracy. The experimental method developed in this study is demonstrated on a powdered U- 15 N L-Histidine.HCl·H 2 O sample.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Accelerated Nano-Optical Imaging through Sparse Sampling

The integration time and signal-to-noise ratio are inextricably linked when performing scanning probe microscopy based on raster scanning. This often yields a large lower bound on the measurement time, for example, in nano-optical imaging experiments performed using a scanning near-field optical microscope (SNOM). Here, in this study, we utilize sparse scanning augmented with Gaussian process regression to bypass the time constraint. We apply this approach to image charge-transfer polaritons in graphene residing on ruthenium trichloride (α-RuCl 3 ) and obtain key features such as polariton damping and dispersion. Critically, nano-optical SNOM imaging data obtained via sparse sampling are in good agreement with those extracted from traditional raster scans but require 11 times fewer sampled points. As a result, Gaussian process-aided sparse spiral scans offer a major decrease in scanning time.

36 MATERIALS SCIENCE↗