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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Deep learning of free boundary and Stefan problems

Free boundary problems appear naturally in numerous areas of mathematics, science and engineering. These problems present a great computational challenge because they necessitate numerical methods that can yield an accurate approximation of free boundaries and complex dynamic interfaces. In this work, we propose a multi-network model based on physics-informed neural networks to tackle a general class of forward and inverse free boundary problems called Stefan problems. Specifically, we approximate the unknown solution as well as any moving boundaries by two deep neural networks. Besides, we formulate a new type of inverse Stefan problems that aim to reconstruct the solution and free boundaries directly from sparse and noisy measurements. We demonstrate the effectiveness of our approach in a series of benchmarks spanning different types of Stefan problems, and illustrate how the proposed framework can accurately recover solutions of partial differential equations with moving boundaries and dynamic interfaces. All code and data accompanying this manuscript are publicly available at https://github.com/PredictiveIntelligenceLab/DeepStefan.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

OpenUniverse2024: a shared, simulated view of the sky for the next generation of cosmological surveys

The OpenUniverse2024 simulation suite is a cross-collaboration effort to produce matched simulated imaging for multiple surveys as they would observe a common simulated sky. Both the simulated data and associated tools used to produce it are intended to uniquely enable a wide range of studies to maximize the science potential of the next generation of cosmological surveys. We have produced simulated imaging for approximately 70 deg 2 of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Wide-Fast-Deep survey and the Nancy Grace Roman Space Telescope High-Latitude Wide-Area Survey, as well as overlapping versions of the ELAIS-S1 Deep-Drilling Field for LSST and the High-Latitude Time-Domain Survey for Roman. OpenUniverse2024 includes (i) an early version of the updated extragalactic model called Diffsky, which substantially improves the realism of optical and infrared photometry of objects, compared to previous versions of these models; (ii) updated transient models that extend through the wavelength range probed by Roman and Rubin; and (iii) improved survey, telescope, and instrument realism based on up-to-date survey plans and known properties of the instruments. It is built on a new and updated suite of simulation tools that improves the ease of consistently simulating multiple observatories viewing the same sky. The approximately 400 TB of synthetic survey imaging and simulated universe catalogs are publicly available, and we preview some scientific uses of the simulations.

large-scale structure of Universe↗
DOE OSTI2024

Characterization of the Triassic Newark Basin of New York and New Jersey for Geologic Storage of Carbon Dioxide

The project Characterization of the Triassic Newark Basin of New York and New Jersey for Geologic Storage of Carbon Dioxide is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. Sandia Technologies, LLC, and co-investigator Conrad Geoscience Corporation, examined the potential for large-scale, permanent CO2 storage in sedimentary strata within the Newark Rift Basin. The Newark Rift Basin underlies an industrialized, developed region comprising parts of New York, New Jersey, and Pennsylvania. The project characterized and investigated the suitability of Triassic age sedimentary formations for potential geologic CO2 storage. The project team drilled and cored two test wells to define the sedimentary geologic formations underlying the basin and to document or reach basement rock. With this geologic characterization phase, an integration of seismic, geologic, borehole, and formation core results provided a higher resolution assessment of CO2 storage potential. The Stockton Formation is known to be a potentially favorable geologic storage formation in the basin. In 2011, the 1-NYSTA Tandem Lot stratigraphic test well was drilled to a depth of 6,855 feet in the northern portion of the Newark Basin in southern New York State. Approximately 9 miles south-southeast on the Lamont Doherty Campus, TW-4 was drilled and cored in 2013 to a depth of 1,802 feet and contacted apparent igneous basement at a depth of 1,712 feet. Both wells penetrated the Palisades Sill ranging from 800 feet thick in the eastern well to approximately 1,800 feet in thickness at the 1-NYSTA Tandem Lot deep drill site. A diabase sill can provide an excellent seal and dense confining layer for potential CO2 storage reservoirs and flow layers that are situated beneath it within the Stockton Sandstone. The Stockton Sandstone was encountered beneath the sill in the TW-4 well on the Lamont campus, and data integration suggests that it was likely observed near total depth in the deep 1-NYSTA Tandem Lot well. The test wells confirm and define reservoirs are present beneath the sill and offer CO2 storage potential. The integration of geologic and reservoir characterization of well logs, formation cores, and formation fluids indicated Triassic age lacustrine playa lake and mudbank shales of the Upper Passaic Group can provide an effective seal for the porous and permeable underlying sandstone reservoir layers. This project acquired seismic data, drilled borehole well logs, acquired core samples, and integrated these findings to provide a better understanding of the subsurface geologic formations in the Newark Rift Basin. These findings have contributed to a higher degree of accuracy in predicting potential geologic storage opportunities, while refining geologic storage capacity estimates for the indicated reservoirs and flow units.

.las↗
DOE OSTI2020

Deep Isolation-Development of the Safety Case for Disposal of Radioactive Wastes in Horizontal Boreholes - 20028

Deep Isolation has developed a safe, secure, and permanent geological disposal method for high-level waste, including spent nuclear fuel as well as sealed sources and other highly radioactive materials. The method leverages well established directional drilling technology to create horizontal repositories deep underground. The combination of great depth (1-3 km) and the ability to precisely position repositories in a horizontal orientation provides access to geologic strata that are inaccessible for typical mined and deep vertical borehole repositories. A number of potential direct and indirect safety benefits accrue including:1) greater depth below regional freshwater aquifers; 2) increased flexibility and more geologic options for siting; 3) access to deep formations with persistent and sustained reducing conditions. In addition there are a number of safety elements related specifically to the horizontal repository geometry including: 1) passive direction of thermally driven fluid and radionuclide movement away from the vertical access hole and toward the 'dead end' portion of the repository; 2) mitigation of seismic hazards by orienting repositories parallel to local and regional fault structures. In this paper we explore and discuss some of the key technologic, geologic and hydrologic elements that support the deep horizontal borehole safety case. The stalemate seen across the globe on the disposal of spent nuclear fuel and high-level waste can be broken. Deep Isolation offers a novel option for safe, secure, and permanent deep geological disposal of nuclear waste that can be developed as centralized repositories or adapted to smaller regional or site-specific repositories located near waste sources. (authors)

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

Limited-angle computed tomography with deep image and physics priors

Computed tomography is a well-established x-ray imaging technique to reconstruct the three-dimensional structure of objects. It has been used extensively in a variety of fields, from diagnostic imaging to materials and biological sciences. One major challenge in some applications, such as in electron or x-ray tomography systems, is that the projections cannot be gathered over all the angles due to the sample holder setup or shape of the sample. This results in an ill-posed problem called the limited angle reconstruction problem. Typical image reconstruction in this setup leads to distortion and artifacts, thereby hindering a quantitative evaluation of the results. To address this challenge, we use a generative model to effectively constrain the solution of a physics-based approach. Our approach is self-training that can iteratively learn the nonlinear mapping from partial projections to the scanned object. Because our approach combines the data likelihood and image prior terms into a single deep network, it is computationally tractable and improves performance through an end-to-end training. We also complement our approach with total-variation regularization to handle high-frequency noise in reconstructions and implement a solver based on alternating direction method of multipliers. We present numerical results for various degrees of missing angle range and noise levels, which demonstrate the effectiveness of the proposed approach.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Evaluation of Deep Learning Model Architectures for Point-of-Care Ultrasound Diagnostics

Point-of-care ultrasound imaging is a critical tool for patient triage during trauma for diagnosing injuries and prioritizing limited medical evacuation resources. Specifically, an eFAST exam evaluates if there are free fluids in the chest or abdomen but this is only possible if ultrasound scans can be accurately interpreted, a challenge in the pre-hospital setting. In this effort, we evaluated the use of artificial intelligent eFAST image interpretation models. Widely used deep learning model architectures were evaluated as well as Bayesian models optimized for six different diagnostic models: pneumothorax (i) B- or (ii) M-mode, hemothorax (iii) B- or (iv) M-mode, (v) pelvic or bladder abdominal hemorrhage and (vi) right upper quadrant abdominal hemorrhage. Models were trained using images captured in 27 swine. Using a leave-one-subject-out training approach, the MobileNetV2 and DarkNet53 models surpassed 85% accuracy for each M-mode scan site. The different B-mode models performed worse with accuracies between 68% and 74% except for the pelvic hemorrhage model, which only reached 62% accuracy for all model architectures. These results highlight which eFAST scan sites can be easily automated with image interpretation models, while other scan sites, such as the bladder hemorrhage model, will require more robust model development or data augmentation to improve performance. With these additional improvements, the skill threshold for ultrasound-based triage can be reduced, thus expanding its utility in the pre-hospital setting.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Deep-learning-enhanced assessment of wellbore barrier effectiveness in geologic storage systems with intermediate aquifers

For geologic systems where carbon dioxide (CO 2 ) is injected underground, existing wells represent potential pathways for fluid migration. Here, this study introduces a novel deep learning model to quantify the likelihood and potential magnitude of fluid migration through wellbores at sites with intermediate aquifers or thief zones between the injection units and underground drinking water sources. Synthetic datasets, generated using reservoir simulations, captured a wide range of subsurface conditions, well attributes, operational parameters, and fluid migration scenarios. Among the regression models developed to predict brine and CO 2 leakage rates and CO 2 saturations along leaky wellbores, convolutional neural network (CNN) outperformed both Light Gradient Boosting Machine and deep neural network. Additionally, a CNN-based classification model was created to predict whether brine and CO 2 would leak along a wellbore, further improving performance over regression alone. The best models were integrated into the National Risk Assessment Partnership Open-source Integrated Assessment Model for rapid, stochastic assessment of storage system containment and leakage risks. A case study demonstrated the model’s ability to simulate fluid migration through existing wells with multiple intermediate aquifers. This computationally efficient wellbore model offers value in support of site performance evaluation and risk-informed decision making by stakeholders.

CO2 leakage↗
DOE OSTI2025

An adaptive and stability-promoting layerwise training approach for sparse deep neural network architecture

This work presents a two-stage adaptive framework for progressively developing deep neural network (DNN) architectures that generalize well for a given training data set. In the first stage, a layerwise training approach is adopted where a new layer is added each time and trained independently by freezing parameters in the previous layers. We impose desirable structures on the DNN by employing manifold regularization, sparsity regularization, and physics-informed terms. We introduce a ε – δ – stability-promoting concept as a desirable property for a learning algorithm and show that employing manifold regularization yields a ε – δ stability-promoting algorithm. Further, we also derive the necessary conditions for the trainability of a newly added layer and investigate the training saturation problem. In the second stage of the algorithm (post-processing), a sequence of shallow networks is employed to extract information from the residual produced in the first stage, thereby improving the prediction accuracy. Numerical investigations on prototype regression and classification problems demonstrate that the proposed approach can outperform fully connected DNNs of the same size. Moreover, by equipping the physics-informed neural network (PINN) with the proposed adaptive architecture strategy to solve partial differential equations, we numerically show that adaptive PINNs not only are superior to standard PINNs but also produce interpretable hidden layers with provable stability. As a result, we also apply our architecture design strategy to solve inverse problems governed by elliptic partial differential equations.

42 ENGINEERING↗
DOE OSTI2025

Exposing Process‐Level Biases in a Global Cloud Permitting Model With ARM Observations

The emergence of global convective‐permitting models (GCPMs) represents a significant advancement in climate modeling, offering improved representation of deep convection and complex precipitation patterns. In this study, we evaluate the performance of the Simple Cloud‐Resolving E3SM Atmosphere Model (SCREAM) using its doubly periodic configuration (DP‐SCREAM) against large eddy simulations and modern observational data sets from the Atmospheric Radiation Measurement program. We introduce several new transitional cloud regime cases, such as the transition from shallow to deep convection and from stratocumulus to cumulus, as well as cold‐air outbreak scenarios. The results reveal both strengths and limitations of SCREAM, particularly in the accurate simulation of cloud transitions and midlevel convection, with varying degrees of sensitivity to horizontal and vertical resolution. Despite improvements at higher resolutions, key biases remain, including the abrupt transition from shallow to deep convection and the lack of congestus clouds. These findings underscore the need for further refinement in turbulence parameterizations and vertical grid resolution in GCPMs.

Bogenschutz, Peter A. [Lawrence Livermore National↗
DOE OSTI2024

Gluon double-spin asymmetry in the longitudinally polarized p + p collisions

We derive the first-ever small-x expression for the inclusive gluon production cross section in the central rapidity region of the longitudinally polarized proton-proton collisions. The cross section depends on the polarizations of both protons, therefore comprising the numerator of the longitudinal double-spin asymmetry ALL for the produced gluons. The cross section is calculated in the shock wave formalism and is expressed in terms of the polarized dipole scattering amplitudes on the projectile and target protons. We show that the small-x evolution corrections are included into our cross section expression if one evolves these polarized dipole amplitudes using the double-logarithmic helicity evolution derived in [1–4]. Our calculation is performed for the gluon sector only, with the quark contribution left for future work. When that work is complete, the resulting formula will be applicable to longitudinally polarized proton-proton and proton-nucleus collisions, as well as to polarized semi-inclusive deep inelastic scattering (SIDIS) on a proton or a nucleus. Our results should allow one to extend the small-x helicity phenomenology analysis of [5] to the jet/hadron production data reported for the longitudinally polarized proton-proton collisions at RHIC and to polarized SIDIS measurements at central rapidities to be performed at the EIC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Search for vector-like leptons coupling to first- and second-generation Standard Model leptons in pp collisions at s = 13 TeV with the ATLAS detector

A search for pair production of vector-like leptons coupling to first- and second-generation Standard Model leptons is presented. The search is based on a dataset of proton-proton collisions at s$$ \sqrt{s} $$ = 13 TeV recorded with the ATLAS detector during Run 2 of the Large Hadron Collider, corresponding to an integrated luminosity of 140 fb−1. Events are categorised depending on the flavour and multiplicity of leptons (electrons or muons), as well as on the scores of a deep neural network targeting particular signal topologies according to the decay modes of the vector-like leptons. In each of the signal regions, the scalar sum of the transverse momentum of the leptons and the missing transverse momentum is analysed. The main background processes are estimated using dedicated control regions in a simultaneous fit with the signal regions to data. No significant excess above the Standard Model background expectation is observed and limits are set at 95% confidence level on the production cross-sections of vector-like electrons and muons as a function of the vector-like lepton mass, separately for SU(2) doublet and singlet scenarios. The resulting mass lower limits are 1220 GeV (1270 GeV) and 320 GeV (400 GeV) for vector-like electrons (muons) in the doublet and singlet scenarios, respectively.

Aad, G↗
DOE OSTI2023

Automated segmentation of porous thermal spray material CT scans with predictive uncertainty estimation

Abstract Thermal sprayed metal coatings are used in many industrial applications, and characterizing the structure and performance of these materials is vital to understanding their behavior in the field. X-ray computed tomography (CT) enables volumetric, nondestructive imaging of these materials, but precise segmentation of this grayscale image data into discrete material phases is necessary to calculate quantities of interest related to material structure. In this work, we present a methodology to automate the CT segmentation process as well as quantify uncertainty in segmentations via deep learning. Neural networks (NNs) have been shown to excel at segmentation tasks; however, memory constraints, class imbalance, and lack of sufficient training data often prohibit their deployment in high resolution volumetric domains. Our 3D convolutional NN implementation mitigates these challenges and accurately segments full resolution CT scans of thermal sprayed materials with maps of uncertainty that conservatively bound the predicted geometry. These bounds are propagated through calculations of material properties such as porosity that may provide an understanding of anticipated behavior in the field.

Martinez, Carianne↗
DOE OSTI2025

Quantum Simulation of Molecular Dynamics Processes─A Benchmark Study Using a Classical Simulator and Present-Day Quantum Hardware

Here, we explore how the fundamental problems in quantum molecular dynamics can be modeled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes propagation of a free wave packet, vibration of a harmonic oscillator, and tunneling through a barrier. Each of these problems starts with the initial wave packet setup. Although Qiskit provides a general method for initializing wave functions, in most cases it generates deep quantum circuits. While these circuits perform well on noiseless simulators, they suffer from excessive noise on quantum hardware. To overcome this issue, we designed a shallower quantum circuit for preparing a Gaussian-like initial wave packet, which improves the performance of real hardware. Next, quantum circuits are implemented to apply the kinetic and potential energy operators for the evolution of a wave function over time. The results of our modeling on classical emulators of quantum hardware agree perfectly with the results obtained using the traditional (classical) methods. This serves as a benchmark and demonstrates that the quantum algorithms and Qiskit codes we developed are accurate. However, the results obtained on the actual quantum hardware available today, such as IBM’s superconducting qubits and IonQ’s trapped ions, indicate large discrepancies due to hardware limitations. This work highlights both the potential and challenges of using quantum computers to solve fundamental quantum molecular dynamics problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Potential Link Between 2020 Mentone, West Texas M5 Earthquake and Nearby Wastewater Injection: Implications for Aquifer Mechanical Properties

Abstract The M5 Mentone earthquake that occurred on March 26, 2020, was the largest event recorded over the last 2 decades in West Texas within the Delaware Basin, a U.S. major petroleum‐producing area. Also, numerous hydrofracturing and wastewater disposal wells are spread across this region. Within a 30 km distance to mainshock, eight class‐II injection wells for industrial wastewater disposal target the deep porous Ellenburger aquifer at an average rate of 1.36 × 10 6 barrel (BBL) per month during 2012–2020. Poroelastic models of fluid diffusion show these nearby injectors collectively imparted up to 80.5 kPa of Coulomb stress at the mainshock location, capable of triggering this M5 event. Assuming the Mentone event occurs when pore‐pressure increase is maximum, the time delay between peak injection and the M5 occurrence corresponds with an optimal permeability of 6.76 × 10 ‐14 m 2 for the Ellenburger aquifer layer, in agreement with independent estimates.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Kilopower Project: The KRUSTY Fission Power Experiment and Potential Missions

The Kilopower Project was initiated by NASA’s Space Technology Mission Directorate/Game Changing Development Program in fiscal year 2015 to demonstrate subsystem-level technology readiness of small space fission power in a relevant environment (Technology Readiness Level 5) for space science and human exploration power needs. The Kilopower Project centerpiece is the Kilowatt Reactor Using Stirling TechnologY (KRUSTY) test, which consists of the development and testing of a ground technology demonstrator of a 1-kW(electric)–class fission power system (FPS). The technologies to be developed and validated by KRUSTY are extensible to space FPSs from 1 to 10 kW(electric), which can enable modular surface FPSs for human exploration as well as higher-power future potential deep space science missions. The KRUSTY demonstration is cofunded by NASA and the U.S. Department of Energy National Nuclear Security Administration. The KRUSTY demonstration in the National Critical Experiment Research Center’s Device Assembly Facility was completed in the first quarter of 2018.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Tree-based algorithms for weakly supervised anomaly detection

Weakly supervised methods have emerged as a powerful tool for model-agnostic anomaly detection at the Large Hadron Collider (LHC). While these methods have shown remarkable performance on specific signatures such as dijet resonances, their application in a more model-agnostic manner requires dealing with a larger number of potentially noisy input features. In this paper, we show that using boosted decision trees as classifiers in weakly supervised anomaly detection gives superior performance compared to deep neural networks. Boosted decision trees are well known for their effectiveness in tabular data analysis. Our results show that they not only offer significantly faster training and evaluation times, but they are also robust to a large number of noisy input features. By using advanced gradient boosted decision trees in combination with ensembling techniques and an extended set of features, we significantly improve the performance of weakly supervised methods for anomaly detection at the LHC. This advance is a crucial step toward a more model-agnostic search for new physics. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2022

Nuclear matter effects on jet production at electron-ion colliders

In these proceedings we report recent progress on understanding hadron and jet production in electron-nucleus collisions at the future Electron-Ion Collider [1,2]. These processes will play an essential role in the exploration of the partonic structure of nuclei and the study of parton shower evolution in strongly-interacting matter. We employ the framework of soft-collinear effective theory, generalized to include in-medium interactions, to present the first theoretical results for inclusive hadron and jet cross sections, as well as the jet charge modification in deep inelastic scattering on nuclei. We further demonstrate how to separate initial-state and final-state effects.

Li, Hai Tao↗
DOE OSTI2020

Automated Segmentation of Porous Thermal Spray Material CT Scans with Geometric Uncertainty Estimation

Thermal sprayed metal coatings are used in many industrial applications, and characterizing the structure and performance of these materials is vital to understanding their behavior in the field. X-ray Computed Tomography (CT) machines enable volumetric, nondestructive imaging of these materials, but precise segmentation of this grayscale image data into discrete material phases is necessary to calculate quantities of interest related to material structure. In this work, we present a methodology to automate the CT segmentation process as well as quantify uncertainty in segmentations via deep learning. Neural networks (NNs) are shown to accurately segment full resolution CT scans of thermal sprayed materials and provide maps of uncertainty that conservatively bound the predicted geometry. These bounds are propagated through calculations of material properties such as porosity that may provide an understanding of anticipated behavior in the field.

36 MATERIALS SCIENCE↗