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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Opportunities for Industry to Provide Flexibility While Increasing Profitability

Supply and demand flexibility will both be needed to ensure the electricity system functions properly as the share from variable renewable generation continues to grow. Industrial manufacturing currently consumes about a third of primary energy worldwide, and electricity is projected to supply an increasing share of this demand as the global economy decarbonizes. Therefore, the ability for industry to flex demand poses an enticing opportunity to enable grid flexibility. However, large capital outlays prevent industry from voluntarily altering demand. Here we show that as battery costs continue to fall, industry will soon be able to profitably alter demand in accordance with electricity price variations. Focusing on two established industries– chlor-alkali and electric arc furnaces – and two industries with large future potential – methane pyrolysis and atmospheric CO 2 capture, we use a linear program (LP) optimization to assess the technoeconomic feasibility of flexible industrial demand across both historical and future-looking wholesale day-ahead marginal prices for the Electricity Reliability Council of Texas (ERCOT). We find positive net present values (NPV) from $\$$400K to $\$$50M using projected 2050 battery prices for industrial purchase of behind-the-meter batteries, using only arbitrage as a source of value. These results indicate that, with projected battery prices, profit-seeking industrial players could voluntarily play a future role in stabilizing a high-renewables grid where electricity prices act as accurate signals of grid needs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Regulatory Considerations for Nuclear Energy Applications of Digital Twin Technologies

Digital twins (DTs) in complex industrial and engineering applications have potential benefits that include increased operational efficiencies, enhanced safety and reliability, improved security engineering, reduced errors, faster information sharing, and better predictions. The interest in DT technologies continues to grow, and many of these advanced technologies are expected to experience rapid and wide industry adoption in the near future. Some of the potential application areas for DTs in the nuclear industry are design, licensing, plant construction, training simulators, predictive operations and maintenance, autonomous operation and control, failure and degradation prediction, physical protection modeling and simulation, and safety and reliability analyses. The Office of Nuclear Regulatory Research at the U.S. Nuclear Regulatory Commission (NRC) has initiated a future-focused research project to assess the regulatory viability of DTs for nuclear power plants and other NRC-regulated activities, such as fuel cycle facilities and operations. This report explores the potential impact of DT technologies in nuclear applications on NRC-regulated activities of interest. This report describes a nuclear DT system and its capabilities for nuclear power plant applications, followed by identification and discussion of some regulated activities that merit special consideration and present opportunities in implementing DT-enabling technologies and capabilities.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Efficient Learning of Accurate Surrogates for Simulations of Complex Systems

Machine learning methods are increasingly deployed to construct surrogate models for complex physical systems at a reduced computational cost. However, the predictive capability of these surrogates degrades in the presence of noisy, sparse, or dynamic data. We introduce an online learning method empowered by optimizer-driven sampling that has two advantages over current approaches: it ensures that all local extrema (including endpoints) of the model response surface are included in the training data and it employs a continuous validation and update process in which surrogates undergo retraining when their performance falls below a validity threshold. We find, using benchmark functions, that optimizer-directed sampling generally outperforms traditional sampling methods in terms of accuracy around local extrema even when the scoring metric is biased towards assessing overall accuracy. Finally, the application to dense nuclear matter demonstrates that highly accurate surrogates for a nuclear equation of state model can be reliably auto-generated from expensive calculations using few model evaluations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Data Efficiency Assessment of Generative Adversarial Networks for Critical Heat Flux Synthetic Data Generation

This study investigates the application of generative artificial intelligence techniques, particularly conditional generative adversarial networks (cGAN), in real-world engineering contexts, with a specific focus on synthetic data generation for critical heat flux (CHF). Utilizing a dataset comprising more than 20,000 real experimental CHF measurements, we conduct a series of experiments to examine cGAN’s behavior. These experiments encompass varying sizes of the training dataset, training cGAN on data from diverse experimental sources to generate new data on unseen experimental setups, and assessing the impact of excluding various input features on cGAN’s data generation accuracy. Our findings underscore the pronounced data dependency of cGAN for reliable performance, with decreased efficacy observed with smaller training dataset sizes. Notably, cGAN exhibits varying performance when trained on data from different experiments, with superior predictive capabilities observed for certain experiment sources compared to others. For instance, when cGAN was trained on data from Smolin et al.’s experiments or Zenkevich et al., it exhibited relatively good performance in generating the data from Becker et al., Kirillov et al., and Alekseev et al. experiments. In contrast, when trained with Alekseev et al.’s data and tasked with generating other experimental setups, cGAN showed notably poor performance. In both scenarios, cGAN’s performance was inferior compared to training on samples from all experiments concurrently. A feature importance analysis highlights the significant influence of parameters such as mass flux and heated length on accurate CHF generation, while other parameters like diameter and pressure have less impact. Inlet temperature is identified as a moderating factor by cGAN.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Assessing the impact of Byzantine attacks on coupled phase oscillators

Abstract For many coupled dynamical systems, the interaction is the outcome of the measurement that each unit has of the others as e.g. in modern inverter-based power grids, autonomous vehicular platoons or swarms of drones, or it is the result of physical flows. Synchronization among all the components of these systems is of primal importance to avoid failures. The overall operational state of these systems therefore crucially depends on the correct and reliable functioning of the individual elements as well as the information they transmit through the network. Here, we investigate the effect of Byzantine attacks where one unit does not behave as expected, but is controlled by an external attacker. For such attacks, we assess the impact on the global collective behavior of nonlinearly coupled phase oscillators. We relate the synchronization error induced by the input signal to the properties of the attacked node. This allows to anticipate the potential of an attacker and identify which network components to secure.

Tyloo, Melvyn (ORCID:0000000317614095)↗
DOE OSTI2024

Efficient learning of accurate surrogates for simulations of complex systems

Machine learning methods are increasingly deployed to construct surrogate models for complex physical systems at a reduced computational cost. However, the predictive capability of these surrogates degrades in the presence of noisy, sparse or dynamic data. Here, we introduce an online learning method empowered by optimizer-driven sampling that has two advantages over current approaches: it ensures that all local extrema (including endpoints) of the model response surface are included in the training data, and it employs a continuous validation and update process in which surrogates undergo retraining when their performance falls below a validity threshold. We find, using benchmark functions, that optimizer-directed sampling generally outperforms traditional sampling methods in terms of accuracy around local extrema even when the scoring metric is biased towards assessing overall accuracy. Finally, the application to dense nuclear matter demonstrates that highly accurate surrogates for a nuclear equation-of-state model can be reliably autogenerated from expensive calculations using few model evaluations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Drug-induced kidney injury: challenges and opportunities

Abstract Drug-induced kidney injury (DIKI) is a frequently reported adverse event, associated with acute kidney injury, chronic kidney disease, and end-stage renal failure. Prospective cohort studies on acute injuries suggest a frequency of around 14%–26% in adult populations and a significant concern in pediatrics with a frequency of 16% being attributed to a drug. In drug discovery and development, renal injury accounts for 8 and 9% of preclinical and clinical failures, respectively, impacting multiple therapeutic areas. Currently, the standard biomarkers for identifying DIKI are serum creatinine and blood urea nitrogen. However, both markers lack the sensitivity and specificity to detect nephrotoxicity prior to a significant loss of renal function. Consequently, there is a pressing need for the development of alternative methods to reliably predict drug-induced kidney injury (DIKI) in early drug discovery. In this article, we discuss various aspects of DIKI and how it is assessed in preclinical models and in the clinical setting, including the challenges posed by translating animal data to humans. We then examine the urinary biomarkers accepted by both the US Food and Drug Administration (FDA) and the European Medicines Agency for monitoring DIKI in preclinical studies and on a case-by-case basis in clinical trials. We also review new approach methodologies (NAMs) and how they may assist in developing novel biomarkers for DIKI that can be used earlier in drug discovery and development.

Connor, Skylar (ORCID:0000000233479180)↗
DOE OSTI2023

Quantifying the Protectability of Power Systems for Restoration Applications

With the increasing availability of distributed energy resources, controllable switches, and advanced metering infrastructure, distribution systems are exploring opportunities for improving system reliability through fault location, isolation, and service restoration. During permanent outages, this requires islanding microgrids and/or reconfiguration of the feeders; however, it is critical to assess the protection of the islanded/reconfigured networks before transition because the rated load and fault current conditions change. This paper presents a novel “protectability” metric that quantifies the protection performance and allows the operators to compare the effectiveness of the protection between two or more possible reconfiguration and islanding approaches. We present the mathematical formulation and assumptions for the metric. Multiple configurations of the Electric Power Research Institute J1 feeder, both in grid-connected and weak-sourced islanded operation, are used to demonstrate the performance of the metric with reference to overcurrent protection. Takeaways for future studies on system planning integration are provided.

distributed energy resources↗
DOE OSTI2020

Scale and Regionality of Nonelectric Markets for U.S. Nuclear Light Water Reactors

This study assesses existing and potential industries that could conceivably be directly coupled to existing nuclear reactors. The goal is to identify the scale, location, and accessibility of the candidate industrial-product markets, as well as process feedstocks that are available near the plants to establish new industries. For example, CO 2 as a feedstock can be combined with H 2 to produce formic acid (FA), transportation fuels, and lubricants. These new plants can be entirely supported with the heat and electricity provided by a nearby NPP. The potential demand for nonelectric industrial products was assessed by documenting current and possible growth of nonelectricity product markets considered. This assessment used DOE- and industry-supported tools, data, and projections to capture regional industrial market opportunities. Electricity-capacity markets that reward large and reliable generators, such as NPPs, were considered because the electricity market will likely continue to be an important revenue source to NPPs. The key is to balance the needs of energy customers so as to optimize revenue for the affiliated energy customers or partners. In most cases, flexible plant energy delivery and power generation for the grid will require either energy storage or a stock of intermediate products to sustain the industrial customers when the NPP dispatches electricity to the grid. A diverse mix of temperate regions with operating NPPs around the U.S.—representing a variety of operating markets, local generation mix, and seasonal climates—were chosen for this market study. Both current and future market opportunities for candidate industrial-product markets surrounding these NPPs were studied. Figure 2 illustrates the regions chosen for this study. The success of developing nonelectric industrial-product markets as alternative revenue-generating sources for LWRs depends, not only on demand from growing existing markets, such as petroleum refining and NH 3 production, but also on the development of new markets such as light-duty (LD) and heavy-duty (HD) hydrogen FCEVs, synfuels, chemical production, biofuels, metal refining, injection of hydrogen into NG pipelines for gas power-generating units, FA, polymers, and close-coupled industrial heat applications, all of which can significantly increase demand relative to current levels while decarbonizing energy sectors. This study also presents a sample analysis of the economics of hydrogen production in an area of Minnesota, considering the capital and operating costs of a hydrogen plant as well as the local market demand for hydrogen. It includes some assumptions on electricity-grid pricing, showing how hydrogen could be integrated with an NPP and be competitive with the incumbent hydrogen-production process, steam methane reforming (SMR). The objectives of this study include: Provide U.S. NPP operators a robust sampling of the market demand location, scale, and accessibility (including storage and transportation) of the wide variety of industrial-product choices that can be produced using nuclear thermal energy and electricity proximate to a subset of U.S. NPPs to inform the industry of the potential opportunity; show examples and trade-off analyses of how U.S. LWR operators can access these markets, including storage and transportation of industrial products to their intended markets; and present a general analysis example for one industrial product (hydrogen) in one region (Minnesota area), including production, storage, and transportation, to show how nuclear-hybrid integrated energy systems (IESs) could access local markets and improve the profitability of an NPP.

03 NATURAL GAS↗
DOE OSTI2022

Gaussian Process Classification for Galaxy Blend Identification in LSST

Abstract A significant fraction of observed galaxies in the Rubin Observatory Legacy Survey of Space and Time (LSST) will overlap at least one other galaxy along the same line of sight, in a so-called “blend.” The current standard method of assessing blend likelihood in LSST images relies on counting up the number of intensity peaks in the smoothed image of a blend candidate, but the reliability of this procedure has not yet been comprehensively studied. Here we construct a realistic distribution of blended and unblended galaxies through high-fidelity simulations of LSST-like images, and from this we examine the blend classification accuracy of the standard peak-finding method. Furthermore, we develop a novel Gaussian process blend classifier model, and show that this classifier is competitive with both the peak finding method as well as with a convolutional neural network model. Finally, whereas the peak-finding method does not naturally assign probabilities to its classification estimates, the Gaussian process model does, and we show that the Gaussian process classification probabilities are generally reliable.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling

Clustering of gaseous sulfuric acid (SA) enhanced by dimethylamine (DMA) is a major mechanism for new particle formation (NPF) in polluted atmospheres. However, uncertainty remains regarding the SA–DMA nucleation parameterization that reasonably represents cluster dynamics and is applicable across various atmospheric conditions. This uncertainty hinders accurate three-dimensional (3-D) modeling of NPF and the subsequent assessment of its environmental and climatic impacts. Here we extensively compare different cluster-dynamics-based parameterizations for SA–DMA nucleation and identify the most reliable one through a combination of box model simulations, 3-D modeling, and in situ observations. Results show that the parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations, incorporating the latest theoretical insights (DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-311++G(3df,3pd) level of theory) and adequate representation of cluster dynamics, exhibits dependable performance in 3-D NPF simulation for both winter and summer conditions in Beijing and shows promise for application in diverse atmospheric conditions. Another ACDC-derived parameterization, replacing the level of theory with RI-CC2/aug-cc-pV(T+d)Z//M06-2X/6–311++G(3df,3pd), also performs well in NPF modeling at relatively low temperatures around 280 K but exhibits limitations at higher temperatures due to inappropriate representation of SA–DMA cluster thermodynamics. Additionally, a previously reported parameterization incorporating simplifications is applicable for simulating NPF in polluted atmospheres but tends to overestimate particle formation rates under conditions of elevated temperature (>∼300 K) and low-condensation sink (<∼3×10 -3 s −1 ). Our findings highlight the applicability of the new ACDC-derived parameterization, which couples the latest SA–DMA nucleation theory and holistic cluster dynamics, in 3-D NPF modeling. The ACDC-derived parameterization framework provides a valuable reference for developing parameterizations for other nucleation systems.

Shen, Jiewen↗
DOE OSTI2020

Charging Infrastructure Technologies: Smart Electric Vehicle Charging for a Reliable and Resilient Grid (RECHARGE)

Annual Merit review of the Smart Electric Vehicle Charging for a Reliable and Resilient Grid (RECHARGE) project. This project will demonstrate the value of smart charge management to reduce the impact of Electric Vehicles at Scale. Assess management of Plug-in Electric Vehicle (PEV) charging at scale to avoid negative grid impacts, identify critical strategies and technologies, and enhance value for PEV / EVSE / grid stakeholders.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Assessment of Microstructure Prediction Capabilities for Powder Bed Fusion Stainless Steel 316

The Advanced Materials and Manufacturing Technologies program aims to accelerate the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. However, the characteristic process-structure-property relationships of additive manufacturing (AM) materials pose challenges for the qualification and certification of AM nuclear components. In particular, component-scale variations in microstructure and properties can be driven by localized changes in melt pool dynamics due to how process parameters interact with different part geometries. Computational modeling tools can play a crucial role in predicting and controlling this variability. This report presents final results on process modeling tools designed to predict microstructure variability in additively manufactured stainless steel 316 parts. It details the software packages and physical modeling approaches employed to simulate an AM component within an automated process modeling workflow. Results are demonstrated through comparisons between predicted microstructures and experimental measurements across various representative processing conditions. The report concludes by discussing identified challenges and future opportunities for connecting the developed simulation workflow with mechanics simulations for prediction of part performance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Ground State Electronic Energy of Benzene

We report here on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground-state energy of the benzene molecule in a standard correlation-consistent basis set of double-ζ quality. As a broad international endeavor, our suite of wave function-based correlation methods collectively represents a diverse view of the high-accuracy repertoire offered by modern electronic structure theory. In our assessment, the evaluated high-level methods are all found to qualitatively agree on a final correlation energy, with most methods yielding an estimate of the FCI value around -863 mE H . However, we find the root-mean-square deviation of the energies from the studied methods to be considerable (1.3 mE H ), which in light of the acclaimed performance of each of the methods for smaller molecular systems clearly displays the challenges faced in extending reliable, near-exact correlation methods to larger systems. While the discrepancies exposed by our study thus emphasize the fact that the current state-of-the-art approaches leave room for improvement, we still expect the present assessment to provide a valuable community resource for benchmark and calibration purposes going forward.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Experimental investigation and thermodynamic modeling of the binary Pt–Sn system

Here, the thermodynamics of the Pt–Sn system is revisited with attention to phase equilibria involving PtSn 4 , a topological quantum material with interesting physical properties. The phase relationship in the Sn-rich region of the Pt–Sn binary system was investigated by a combination of differential scanning calorimetry and equilibration experiments. Based on the present experiments and a critical evaluation of the available thermodynamic and phase diagram data reported in the literature, thermodynamic assessments of the entire Pt–Sn system were performed using the CALPHAD approach. Two sets of thermodynamic parameters were optimized, where the liquid phase was described using the Bragg-Williams random mixing model and the associate solution model, respectively. The modeling results are compared with the reliable experimental data and are shown to provide good representations of the phase equilibria and thermodynamic properties in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A High-Voltage High-Current Benchtop Test Stand for Solid-State Switch Testing at the SNS

Solid-state switches already replaced thyratrons in the SNS extraction kicker power supplies, offering improved efficiency and reliability. However, recent supply chain disruptions, combined with a self-firing issue, led us to explore alternative solutions. A vendor-developed MOS-Gated Thyristor switch was introduced but ultimately failed during testing. To investigate the failure and assess possible improvements, a benchtop test stand was constructed to evaluate the performance of a single stage board. This test stand features a Pulse Forming Network (PFN) that operates at 6 kV and 6 kA, with a repetition rate exceeding 60 Hz, simulating real operational conditions. By utilizing this setup, we seek to gain a better understanding of the failure mechanisms, refine the switch designs, and ultimately develop a more reliable alternative for the extraction kicker power supplies.

Bullman, Austin [ORNL]↗
DOE OSTI2026

Predicting initial trans-membrane pressure across cycles in the ultrafiltration process using random forest

With growing freshwater scarcity, direct potable reuse (DPR) systems that reclaim wastewater for drinking are becoming increasingly important for sustainable water supply. Reliable operation requires minimizing downtime in ultrafiltration (UF) units, where membrane fouling leads to elevated trans-membrane pressure (TMP). This study develops data-driven regression models based on random forest (RF) and autoregressive (AR) approaches to forecast the initial TMP at the start of each UF filtration cycle in a pilot-scale DPR system. The RF model consistently outperforms baseline methods, including historical mean, last observation carried forward, and AR models, across multiple forecast horizons, achieving the lowest root mean square error. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent input variables across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is assessed for both direct and recursive RF modelling approaches. The proposed RF framework establishes a robust foundation for predictive monitoring and real-time optimization of UF operations, supporting sustainable and reliable water reuse.

direct potable reuse↗
DOE OSTI2026

Work With Us to Advance Cybersecurity for the Current and Future Grid

The energy sector is undergoing rapid change. Advanced technologies and controls, digitally connected devices, and a mix of generation sources offer increased energy reliability and security, reduced energy costs, and enhanced grid operations. But they can also carry physical and cybersecurity risks that are not yet fully understood. With deep expertise in advanced energy technologies, the National Laboratory of the Rockies is examining the cybersecurity implications of evolving systems and developing cutting-edge tools, novel approaches, and innovative research capabilities to address sector-wide challenges. Together with our partners, we are working to achieve a more secure, defensible, and reliable grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗