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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Distance preserving machine learning for uncertainty aware accelerator capacitance predictions

Abstract Accurate uncertainty estimations are essential for producing reliable machine learning models, especially in safety-critical applications such as accelerator systems. Gaussian process models are generally regarded as the gold standard for this task; however, they can struggle with large, high-dimensional datasets. Combining deep neural networks with Gaussian process approximation techniques has shown promising results, but dimensionality reduction through standard deep neural network layers is not guaranteed to maintain the distance information necessary for Gaussian process models. We build on previous work by comparing the use of the singular value decomposition against a spectral-normalized dense layer as a feature extractor for a deep neural Gaussian process approximation model and apply it to a capacitance prediction problem for the High Voltage Converter Modulators in the Oak Ridge Spallation Neutron Source. Our model shows improved distance preservation and predicts in-distribution capacitance values with less than 1% error.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Sequence Diagrams & PFMEA Table - VGI [SWR-25-107]

As part of the VGI work under the National Charging Experience (ChargeX) Consortium, reliability analysis of communication interfaces for multiple SCM/VGI use-cases was performed using a Process Failure Modes and Analysis (PFMEA) style framework. This repository hosts all the relevant files for each of these use-cases which include: *A visual representation of their communication architecture: Image file (.png) *UML sequence diagram: Plant-UML source file (.puml). Visio file (.vsdx) and image file (.png) derived from the UML sourceX` *The PFMEA table: Excel file (.xlsx) These files are meant to serve as a starting point and can be adapted to company / organization specific SCM implementation.

Gadamsetty, Pranav [National Renewable Energy Labo↗
DOE OSTI2024

The National Transmission Planning Study: Executive Summary

The National Transmission Planning Study (NTP Study) was led by the U.S. Department of Energy's Grid Deployment Office, in partnership with the National Renewable Energy Laboratory and Pacific Northwest National Laboratory. The study sought to develop new national grid-scale planning tools and methods that can be used by industry, especially when planning for interregional transmission capacity needs; identify potential transmission solutions that will provide broad-scale benefits to electric customers under a wide range of potential futures; inform planning processes for regional and interregional transmission; and identify interregional and national strategies to maintain grid reliability as the grid transitions, including to a reliance on low- and zero-carbon energy resources. The NTP Study is presented as a collection of six chapters.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2024

The National Transmission Planning Study: Chapter 1: Introduction

The National Transmission Planning Study (NTP Study) was led by the U.S. Department of Energy's Grid Deployment Office, in partnership with the National Renewable Energy Laboratory and Pacific Northwest National Laboratory. The study sought to develop new national grid-scale planning tools and methods that can be used by industry, especially when planning for interregional transmission capacity needs; identify potential transmission solutions that will provide broad-scale benefits to electric customers under a wide range of potential futures; inform planning processes for regional and interregional transmission; and identify interregional and national strategies to maintain grid reliability as the grid transitions, including to a reliance on low- and zero-carbon energy resources. The NTP Study is presented as a collection of six chapters.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2024

The National Transmission Planning Study: Chapter 2: Long-Term U.S. Transmission Planning Scenarios

The National Transmission Planning Study (NTP Study) was led by the U.S. Department of Energy's Grid Deployment Office, in partnership with the National Renewable Energy Laboratory and Pacific Northwest National Laboratory. The study sought to develop new national grid-scale planning tools and methods that can be used by industry, especially when planning for interregional transmission capacity needs; identify potential transmission solutions that will provide broad-scale benefits to electric customers under a wide range of potential futures; inform planning processes for regional and interregional transmission; and identify interregional and national strategies to maintain grid reliability as the grid transitions, including to a reliance on low- and zero-carbon energy resources. The NTP Study is presented as a collection of six chapters.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2024

The National Transmission Planning Study: Chapter 3: Transmission Portfolios and Operations for 2035 Scenarios

The National Transmission Planning Study (NTP Study) was led by the U.S. Department of Energy's Grid Deployment Office, in partnership with the National Renewable Energy Laboratory and Pacific Northwest National Laboratory. The study sought to develop new national grid-scale planning tools and methods that can be used by industry, especially when planning for interregional transmission capacity needs; identify potential transmission solutions that will provide broad-scale benefits to electric customers under a wide range of potential futures; inform planning processes for regional and interregional transmission; and identify interregional and national strategies to maintain grid reliability as the grid transitions, including to a reliance on low- and zero-carbon energy resources. The NTP Study is presented as a collection of six chapters.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2024

The National Transmission Planning Study: Chapter 5: Stress Analysis for 2035 Scenarios

The National Transmission Planning Study (NTP Study) was led by the U.S. Department of Energy's Grid Deployment Office, in partnership with the National Renewable Energy Laboratory and Pacific Northwest National Laboratory. The study sought to develop new national grid-scale planning tools and methods that can be used by industry, especially when planning for interregional transmission capacity needs; identify potential transmission solutions that will provide broad-scale benefits to electric customers under a wide range of potential futures; inform planning processes for regional and interregional transmission; and identify interregional and national strategies to maintain grid reliability as the grid transitions, including to a reliance on low- and zero-carbon energy resources. The NTP Study is presented as a collection of six chapters.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2024

The National Transmission Planning Study: Chapter 6: Conclusions

The National Transmission Planning Study (NTP Study) was led by the U.S. Department of Energy's Grid Deployment Office, in partnership with the National Renewable Energy Laboratory and Pacific Northwest National Laboratory. The study sought to develop new national grid-scale planning tools and methods that can be used by industry, especially when planning for interregional transmission capacity needs; identify potential transmission solutions that will provide broad-scale benefits to electric customers under a wide range of potential futures; inform planning processes for regional and interregional transmission; and identify interregional and national strategies to maintain grid reliability as the grid transitions, including to a reliance on low- and zero-carbon energy resources. The NTP Study is presented as a collection of six chapters.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2024

The National Transmission Planning Study: Chapter 4: AC Power Flow Analysis for 2035 Scenarios

The National Transmission Planning Study (NTP Study) was led by the U.S. Department of Energy's Grid Deployment Office, in partnership with the National Renewable Energy Laboratory and Pacific Northwest National Laboratory. The study sought to develop new national grid-scale planning tools and methods that can be used by industry, especially when planning for interregional transmission capacity needs; identify potential transmission solutions that will provide broad-scale benefits to electric customers under a wide range of potential futures; inform planning processes for regional and interregional transmission; and identify interregional and national strategies to maintain grid reliability as the grid transitions, including to a reliance on low- and zero-carbon energy resources. The NTP Study is presented as a collection of six chapters.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗
DOE OSTI2025

PROCESS-STRUCTURE-PROPERTY RELATIONSHIPS IN LASER POWDER BED FUSION PRODUCED 17-4 PH STEEL

Laser powder bed fusion (LPBF) is a metal additive manufacturing method that produces non-traditional microstructures as a result of the rapid solidification and thermal cycling inherent to the process. When using LPBF-produced material in application, these unique microstructures challenge the applicability of well developed mechanical property databases achieved by conventional heat treatments. For wider adoption of this technology, a more holistic understanding is necessary on how process attributes develop material structure, which dictate mechanical properties. This dissertation explores the process– structure–property relationships in LPBF 17-4 PH steel through systematic evaluation of atmospheric processing and heat treatment effects on microstructure and mechanical performance. Specimens were fabricated under controlled build environments, subjected to a range of solutionizing, homogenizing, and aging treatments, and characterized using optical microscopy, electron back scatter diffraction (EBSD), and X-ray diffraction (XRD) to quantify phase evolution. Tensile testing was performed to directly link heat treatment pathway and nitrogen absorption to mechanical performance. This work demonstrates where conventional heat treatment standards are applicable to LPBF 17-4 PH steel and where modifications are required. By directly correlating phase stability, nitrogen effects, and tensile response, this work provides practical guidelines for tailoring post-processing strategies. These findings underscore that successful application of LPBF 17-4 PH steel requires explicit consideration of both build environment and post-processing. By linking processing conditions to microstructure and performance, this work advances understanding of critical variables that govern reliability of additively manufactured precipitation-hardened stainless steels in demanding applications.

Brown, Benjamin [Kansas City National Security Cam↗
DOE OSTI2025

Hybrid HEFA-HDCJ Process for the Production of Jet Fuel Blendstocks

The hydrotreatment of bio-oil derived from the pyrolysis and biocrude from hydrothermal liquefaction of lignocellulosic materials to produce hydrocarbons faces significant technological challenges, mainly due to the high reactivity and poor thermal stability of bio-oil, resulting in the formation of large quantities of coke. This problem has been addressed by existing PNNL patents with a two-step hydrotreatment technology in which the bio-oil is first stabilized with a noble hydrogenation metal (often Pt or Ru). Then, in the second step, the bio-oil is deoxygenated with a Ni-Mo or Co-Mo sulfide catalyst. The main problem with this approach is that the Pt/Ru catalysts deactivate easily in the presence of S or other impurities, which are commonly present in pyrolysis oils. In this project, we explored technological solutions to mitigate coke formation, avoiding the use of Pt/Ru catalysts. Our strategy is based on three actions: (1) Bio-oil stabilization in the presence of alcohols. In this project, we studied the stabilization with butanol. (2) the use of a cosolvent to solubilize the bio-oil. Because coke formation reactions are second-order reactions a reduction in the concentration of reactive bio-oil molecules. In this case, we used yellow greases as a co-solvent. (3) Separation of bio-oil reactive fractions. In this project, we studied the removal of water-soluble fractions. Our batch co-hydrotreatment studies confirmed that the addition of butanol and methanol and the blend with lipids effectively contributed to mitigating coke formation (reducing coke yield to about 1 wt.% %). The removal of sugars did not have a noticeable effect on the overall coke yield, suggesting that coke precursors are present in all bio-oil fractions. Our analytical work suggests that they may be concentrated in the water-insoluble/CH 2 Cl 2 insoluble fractions of pyrolysis oils. Although the technological strategies tested resulted in significant coke reductions, the levels achieved were not sufficiently low to ensure a reliable operation in continuous, fixed-bed trickle-bed reactors. Long runs of more than 100 hours (maximum: 255 h) of co-processing time on stream were achieved in a continuous 40 mL reactor. When the same test was conducted in a larger 400 mL reactor, pressure drop increases associated with coke formation were observed. This increase in coke formation could be due to larger temperature gradients in the bed. Hydrodeoxygenation tests in moving bed reactors and using more active hydrogenation catalysts (for example Ni) could lead to more reliable operations. Unfortunately, our team did not have access to such experimental setups. The technoeconomic analysis suggests that although alcohol use is an effective means to reduce coke formation, the use of alcohol increases production cost. Thus, its use needs to be minimized. A delicate balance needs to be found between the use of technological solutions that allow the reliable operation of the system (stabilization with Ni catalysts, use of small quantities of solvents, processing in moving bed reactors) with a tolerable level of coke formation for the hydrodeoxygenation reactor used and that result in minimum production costs.

09 BIOMASS FUELS↗
DOE OSTI2024

Analyzing Potential Failures and Effects in a Pilot-Scale Biomass Preprocessing Facility for Improved Reliability

This study demonstrates a failure identification methodology applied to a preprocessing facility generating conversion-ready feedstocks from biomass meeting conversion process critical quality attribute (CQA) specifications. Failure Modes and Effects Analysis (FMEA) was used as an industrially relevant risk analysis approach to evaluate a logging residue preprocessing system to prepare feedstock for pyrolysis conversion. Risk evaluations considered both system-level and operation unit-level assessments considering process efficiency, product quality, cost, sustainability, and safety. Key outputs included estimations of semi-quantitative risk scores for each failure, identification of the failure impacts, identification of failure causes associated with material attributes and process parameters, ranking success rates of failure detection methods, and speculation of potential mitigation strategies for decreasing failure risk scores. Results showed that deviations from moisture specifications had cascading consequences for other CQAs along with process safety implications. Failures linked to fixed carbon specifications carried the highest risk scores for product quality and process efficiency impacts. As increased throughput can be inversely related to meeting product quality specifications; achieving throughput and other material-based CQAs simultaneously will likely require system optimization or prioritization based on system economics. Ultimately, this work successfully demonstrates FMEA as a risk analysis approach for other bioenergy process systems.

09 BIOMASS FUELS↗
DOE OSTI2025

Constraining nuclear mass models using 𝑟-process observables with multiobjective optimization

Modeling nuclear masses, particularly for nuclei far from stability, remains a key objective in nuclear physics. One contemporary approach is machine learning (ML), which trains on experimental data, but can suffer large errors when extrapolating toward neutron-rich species. In nature, such masses shape observables for the rapid neutron capture process (𝑟 process), which in principle could inform ML models. Here, we introduce a multiobjective optimization approach using the Pareto front algorithm. We show that this technique, capable of identifying models that generate 𝑟-process abundances aligning with both solar and stellar data, is a promising method to select ML models with reliable extrapolation power.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

A high-throughput approach for statistical process optimization in Laser Powder Bed Fusion

Process variability is inherent in metal additive manufacturing (AM). However, it is often overlooked in process optimization frameworks, constraining the understanding of process uncertainties and their influence on parameter selection. To address this, we present an integrated framework that combines high-throughput single-track experiments, GAN-based melt pool geometry extraction, robust statistical and machine learning modeling, and uncertainty-quantified process mapping. Process variability is characterized through single-track melt pool behaviors, and its influence on defect formation is systematically quantified to enable statistically guided process parameter optimization. This approach is demonstrated on Laser Powder Bed Fusion (L-PBF) of stainless steel 316L, effectively capturing the interplay between process parameters, melt pool variability, and defect probability. By integrating uncertainty quantification into process optimization, this study provides a structured methodology for addressing variability challenges in AM quality control, ultimately contributing to enhanced manufacturing reliability.

Laser Powder Bed Fusion↗
DOE OSTI2025

Multiscale Characterization of Additive Manufacturing Components with Computed Tomography, 3D X-ray Microscopy, and Deep Learning

Additive manufacturing (AM) facilitates the creation of complex-geometry parts, driving advancements in lightweight aerospace components, high-efficiency engine cooling channels, and customized medical implants. However, ensuring the quality and reliability of AM parts remains challenging due to internal defects, surface irregularities, porosity, and residual trapped powder, which are often inaccessible to traditional inspection methods. Recent developments in X-ray computed tomography (XCT) and 3D X-ray microscopy (XRM), particularly systems equipped with resolution-at-a-distance (RaaD™) capabilities, enable high-resolution, non-destructive evaluation of AM components across multiple scales, from sub-micrometer to macroscopic levels. This paper explores modern XCT and XRM techniques for multiscale characterization of AM parts, focusing on their ability to detect and analyze defects such as porosity, cracks, inclusions, and surface roughness, while offering insights into defect formation mechanisms, material properties, and process-induced variations. The integration of deep learning (DL) frameworks, including Simurgh, DeepRecon, and DeepScout, enhances XCT/XRM workflows by reducing scan times, improving resolution recovery, and enabling accurate defect detection even with limited projection data. These DL-based methods overcome limitations of traditional reconstruction techniques, enabling faster, more reliable characterization of dense materials like Inconel 718 and novel alloys such as AlCe. Applications include process parameter optimization, high-throughput quality control, and multistage AM process evaluation, with DL-enhanced workflows accelerating analysis times from weeks to days. Correlative imaging approaches further validate XCT and XRM data against scanning electron microscopy (SEM) images of physically sectioned samples, confirming the accuracy of DL-based reconstructions and enabling comprehensive defect analysis. While challenges remain in generalizing DL models to diverse materials and imaging conditions, improvements in resolution, noise reduction, and defect detection highlight the transformative potential of these methods. This multiscale and correlative approach enables precise identification and correlation of microstructural features with the overall performance of AM components. By integrating advanced XCT, XRM, and DL techniques, this paper demonstrates a significant leap forward in AM characterization, offering valuable insights into the relationships between processing parameters, microstructure, and part performance, and driving innovations that enhance the quality and reliability of AM products for demanding industrial applications.

Additive manufacturing↗
DOE OSTI2024

Spectroscopic Signatures of Phonon Character in Molecular Electron Spin Relaxation

Spin–lattice relaxation constitutes a key challenge for the development of quantum technologies, as it destroys superpositions in molecular quantum bits (qubits) and magnetic memory in single molecule magnets (SMMs). Gaining mechanistic insight into the spin relaxation process has proven challenging owing to a lack of spectroscopic observables and contradictions among theoretical models. Here, we use pulse electron paramagnetic resonance (EPR) to profile changes in spin relaxation rates (T 1 ) as a function of both temperature and magnetic field orientation, forming a two-dimensional data matrix. For randomly oriented powder samples, spin relaxation anisotropy changes dramatically with temperature, delineating multiple regimes of relaxation processes for each Cu(II) molecule studied. We show that traditional T 1 fitting approaches cannot reliably extract this information. Single-crystal T 1 anisotropy experiments reveal a surprising change in spin relaxation symmetry between these two regimes. We interpret this switch through the concept of a spin relaxation tensor, enabling discrimination between delocalized lattice phonons and localized molecular vibrations in the two relaxation regimes. Variable-temperature T 1 anisotropy thus provides a unique spectroscopic method to interrogate the character of nuclear motions causing spin relaxation and the loss of quantum information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Increasing the Reproducibility and Replicability of Supervised AI/ML in the Earth Systems Science by Leveraging Social Science Methods

Artificial intelligence (AI) and machine learning (ML) pose a challenge for achieving science that is both reproducible and replicable. The challenge is compounded in supervised models that depend on manually labeled training data, as they introduce additional decision-making and processes that require thorough documentation and reporting. We address these limitations by providing an approach to hand labeling training data for supervised ML that integrates quantitative content analysis (QCA)—a method from social science research. The QCA approach provides a rigorous and well-documented hand labeling procedure to improve the replicability and reproducibility of supervised ML applications in Earth systems science (ESS), as well as the ability to evaluate them. Specifically, the approach requires (a) the articulation and documentation of the exact decision-making process used for assigning hand labels in a “codebook” and (b) an empirical evaluation of the reliability” of the hand labelers. In this paper, we outline the contributions of QCA to the field, along with an overview of the general approach. We then provide a case study to further demonstrate how this framework has and can be applied when developing supervised ML models for applications in ESS. With this approach, we provide an actionable path forward for addressing ethical considerations and goals outlined by recent AGU work on ML ethics in ESS.

58 GEOSCIENCES↗
DOE OSTI2025

PyTUQ: Python Toolkit for Uncertainty Quantification

SAND2025-03661O PyTUQ is a user-friendly software toolkit designed to help researchers and professionals understand and manage uncertainty in several scientific fields. By providing tools for analyzing how uncertainties affect outcomes, PyTUQ can be applied in areas such as energy production, and biology. Its unique approach allows users to make more informed decisions by assessing risks and improving predictions. Whether you're studying combustion processes or exploring complex biological systems, PyTUQ empowers you to gain deeper insights and enhance the reliability of your results. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗