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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Modeling Ni Coarsening and Migration in the Hydrogen Electrode of Solid oxide Cells under Operating Conditions

Ni coarsening and migration is the most important degradation in the hydrogen electrode of solid oxide cells. This presentation reviews our works on Ni coarsening and migration in NETL over the past years. We used simulation techniques including phase-field modeling and density function theory to investigate possible mechanisms of Ni coarsening and migration, including self-diffusion of Ni, diffusion of gaseous Ni(OH)2, surface diffusion of Ni(OH)x and Ni-YSZ wettability change, and examined the effect of operating conditions on these mechanisms. So far, none of the mechanisms can fully explain the experiments. Remaining questions and possible paths forward are summarized and discussed.

Lei, Yinkai↗
DOE OSTI2026

Modulating Operational Conditions to Mitigate Deactivation in Formate Dehydrogenation on Pd Phases

In heterogeneous catalysis, poisoning by surface-bound intermediates poses a major barrier to sustained catalyst performance in (de)hydrogenation reactions. Formate/bicarbonate systems, as liquid organic hydrogen carriers (LOHCs), offer a CO 2 -integrated, low-temperature pathway for hydrogen storage and release, making them attractive for circular energy applications. However, their lower hydrogen density and susceptibility to catalyst deactivation limit their competitiveness compared to conventional LOHCs like methylcyclohexane. Here, this study investigates the mechanistic origins of formate (HCOO – ) dehydrogenation and associated deactivation on Pd interfaces. Using density functional theory (DFT) simulations, we show that under thermocatalytic conditions, strongly bound formate accumulates on the catalyst surface (Pd(111)), blocking active sites, raising activation barriers, and leading to progressive performance loss. Because formate adsorption involves charge transfer, we exploit its sensitivity to electronic structure by modulating the electrochemical potential of the catalyst. Our results reveal that hydrogen transfer from water and formate exhibits opposing potential dependencies, providing insights into the opposing driving forces behind both catalytic activity and poisoning. To further probe this phenomenon, we examine electrochemically induced phase transitions in Pd, focusing on PdO(100) and PdH(110), which are stable under oxidizing and reducing potentials, respectively, and demonstrate enhanced dehydrogenation activity between −0.4 and 0.2 V vs standard hydrogen electrode (SHE). Complementary thermal treatments help decouple kinetic and thermodynamic contributions to intermediate binding. These findings underscore the critical role of the catalyst phase and external stimuli in dictating poison-active site interactions and highlight phase engineering as a promising strategy to mitigate deactivation. This work offers mechanistic insights and design principles for developing more resilient and efficient catalysts for LOHC applications under realistic operating conditions.

Pd phase↗
DOE OSTI2025

High-burnup boiling water reactor steady-state operating conditions and fuel performance analysis

The primary operational costs for existing nuclear reactors are plant operation costs, maintenance costs, and fuel costs, all of which are influenced by the materials used and the design of the reactor core. Optimizing core design parameters—including burnup limits and enrichment levels—can lengthen cycles, reduce outages, reduce reload batch fractions and spent fuel storage requirements, and lower maintenance and operating expenses, thereby enhancing economic viability. Furthermore, developing higher-fidelity tools to simulate these parameters enables better identification of the available margin, improves overall plant safety, and improves the understanding a given plant’s responses to accident scenarios. Here, in the US, much of the research and development focus has traditionally been on pressurized water reactors (PWRs), but boiling water reactors (BWRs) comprise approximately one-third of the US reactor fleet. Modeling and simulation advances for BWRs and PWRs—particularly those achieved through the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program—are crucial to the long-term viability of the light–water reactor industry. A key research area of the high burnup and increased enriched fuel initiative is focused on addressing issues related to postulated loss-of-coolant accident (LOCA) scenarios. NEAMS has dedicated significant effort to enhancing tools to better support BWRs. A current focus is showcasing the BWR framework for high-burnup LOCA analysis. This high-fidelity steady-state analysis is a first step toward demonstrating a best-estimate, pin-by-pin high-burnup BWR LOCA analysis to assess full-core cladding rupture behavior for a representative BWR. The objective of this effort is to provide a modeling capability that will help elucidate and provide a best-estimate evaluation for cladding rupture susceptibility in BWRs. This modeling capability could then be used to prevent and/or mitigate cladding ruptures in postulated accident scenarios without penalizing operational parameters. Additionally, the results of this work will help identify strategies for finding additional margins or potentially limiting cladding ruptures through core design optimizations to enable more efficient core designs.

Capps, Nathan [Oak Ridge National Laboratory (ORNL↗
DOE OSTI2023

Sensitivity Analysis of Modal Parameters of a Jacket Offshore Wind Turbine to Operational Conditions

Accurate estimation of offshore wind turbine (OWT) modal parameters has a prominent effect on the design loads, lifetime prediction, and dynamic response of the system. Modal parameters can vary during the operation of OWTs. This paper studies the variation and sensitivity analysis of an OWT’s modal parameters with respect to operational and environmental conditions. Three finite element models of a jacket-supported OWT at the Block Island Wind Farm are created within the OpenSees, SAP2000, and OpenFAST platforms and validated using experimental measurements. The OpenFAST model is used to simulate the modal parameters of the turbine under various wind speed, rotor speed, power, yaw angle, mean sea level, blade pitch angle, and soil spring values. The model-predicted modal parameters of the first fore–aft (FA) and side–side (SS) modes are compared to those identified from experimental measurements. Results from the simulations show that the first FA natural frequency and damping ratio mostly depend on the rotor speed and wind speed, respectively, while yaw angle and mean sea level do not have a visible effect. It is observed that there is about 8% stiffening in the first FA frequency and an aerodynamic damping of 7.5% during the operation of the OWT.

17 WIND ENERGY↗
DOE OSTI2026

Higher-order interaction effects among operating conditions and feedstocks shape reactor microbiomes and fatty acid production profiles

Arrested anaerobic digestion (AAD) offers a promising route for producing fatty acids (FAs) from organic residues, yet optimal conditions for selectively generating medium-chain fatty acids (MCFAs) remain poorly defined. Here, we systematically evaluated the main and interaction effects of pH (5, 7, 9), feedstock (food waste, manure), temperature (35 and 45 °C), and inoculum source on microbiome composition and FA production. Anaerobic digester sludge and a novel bison rumen inoculum were compared. Significant higher-order interactions among operating parameters governed FA profiles and microbiome structure. Butyric acid production was driven by a three-way interaction among pH, feedstock, and temperature (p < 0.001), with maximum concentrations achieved in food waste reactors at pH 5.0 and 35 °C (1.2 ± 0.1 g L −1 with sludge and 1.1 ± 0.3 g L −1 with rumen). MCFA production exhibited significant four-way interactions (p < 0.1 to p < 0.001). At 45 °C and pH 5.0, inoculum source tuned MCFA selectivity: sludge favored pentanoic acid (0.4 ± 0.1 g L −1 ), whereas rumen favored hexanoic and heptanoic acids (up to 0.4 ± 0.2 g L −1 ). Manure reactors produced < 0.2 g L −1 MCFAs under all conditions. Genera, including Megasphaera, Prevotella, and Lactobacillus, were associated with production of specific MCFAs. PICRUSt2-based pathway predictions were consistent with MCFA production patterns and suggested a potential role for lactic acid–driven chain elongation pathways. This study provides insights into how interacting operating conditions shape AAD microbiomes, their FA profiles, and advances the trajectory of research aimed at engineering robust and controllable microbiomes for waste valorization.

09 BIOMASS FUELS↗
DOE OSTI2020

Parametric study of operating conditions of an SO 2 -depolarized electrolyzer

Large-scale hydrogen generation is needed to satisfy both existing commercial demands and the realization of a hydrogen economy. The hybrid sulfur cycle has the potential to meet this goal without the use of fossil fuels. The ability to model and predict how the electrolyzer step of the cycle is affected by independent and interdependent variables is vital to maximizing the efficiency of the overall cycle. Herein, we report that our parametric study of the SO 2 -depolarized electrolyzer, representing one half of the overall reaction cycle, has identified desirable conditions and will help guide further development for operation that will achieve the benchmarks for economic feasibility. We discuss the interactions among the inlet flow rates, applied current, and cell temperature and pressure, on the resulting cell voltage and acid concentration in the liquid product stream. For example, we find that using a sulfonated polybenzimidazole (s-PBI) membrane and a platinum catalyst, a constant current density of either 0.5 A cm -2 , 0.75 A cm -2 , or 1 A cm -2 with an acid concentration of 65 wt% H 2 SO 4 can be produced at a cell voltage of 0.59 V, 0.63 V, and 0.67 V, respectively, by maintaining a cell temperature of 130 °C, a pressure of 2 bar, and a water-to-SO 2 stoichiometry of 2.77. Finally, we discuss directions for future research based on the findings in this manuscript.

08 HYDROGEN↗
DOE OSTI2023

Electrolyte design for Li-ion batteries under extreme operating conditions

The ideal electrolyte for the widely used LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811)||graphite lithium-ion batteries is expected to have the capability of supporting higher voltages (≥4.5 volts), fast charging (≤15 minutes), charging/discharging over a wide temperature range (±60 degrees Celsius) without lithium plating, and non-flammability. No existing electrolyte simultaneously meets all these requirements and electrolyte design is hindered by the absence of an effective guiding principle that addresses the relationships between battery performance, solvation structure and solid-electrolyte-interphase chemistry. Here we report and validate an electrolyte design strategy based on a group of soft solvents that strikes a balance between weak Li+-solvent interactions, sufficient salt dissociation and desired electrochemistry to fulfil all the aforementioned requirements. Remarkably, the 4.5-volt NMC811||graphite coin cells with areal capacities of more than 2.5 milliampere hours per square centimetre retain 75 per cent (54 per cent) of their room-temperature capacity when these cells are charged and discharged at -50 degrees Celsius (-60 degrees Celsius) at a C rate of 0.1C, and the NMC811||graphite pouch cells with lean electrolyte (2.5 grams per ampere hour) achieve stable cycling with an average Coulombic efficiency of more than 99.9 per cent at -30 degrees Celsius. The comprehensive analysis further reveals an impedance matching between the NMC811 cathode and the graphite anode owing to the formation of similar lithium-fluoride-rich interphases, thus effectively avoiding lithium plating at low temperatures. Additionally, this electrolyte design principle can be extended to other alkali-metal-ion batteries operating under extreme conditions.

25 ENERGY STORAGE↗
DOE OSTI2021

Radial Compressor Design and Off-Design for Trans-critical CO2 Operating Conditions

A multi-staged intercooled centrifugal compressor design is performed for an indirect-fired sCO2 cycle and the design point data are used to generate the performance maps using a 2D mean-line analysis code. Fluid and turbomachinery similarity laws are applied to find an appropriate surrogate ideal gas fluid to be used in the design and performance map generation codes. The performance maps are then scaled back for the sCO2 fluid case using the affinity laws. The developed methodology is validated using the experimental data for a compressor operating at similar inflow conditions.

Uysal, Selcuk Can↗
DOE OSTI2024

Determining Reactor Operating Conditions to Prevent Xenon Walkaway Accident

The xenon walk-away is a postulated uncontrolled criticality that could occur if operators are forced to evacuate the control room in certain circumstances. This poster shows how previously held assumptions are not entirely valid and that less restrictions should be placed on operators and engineers than initially assumed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Impacts of Different Operation Conditions and Geological Formation Characteristics on CO2 Sequestration in Citronelle Dome, Alabama

Major concerns of carbon dioxide (CO2) sequestration in subsurface formations are knowledge of the well injectivity and gas storage capacity of the formation, the CO2 pressure and saturation plume extensions during and after injection, and the risks associated with CO2 leakage and fault reactivation. Saline reservoirs are considered as one of the target formations for CO2 sequestration through structural, residual, dissolution, and mineral trapping mechanisms. The boundary condition of the saline reservoir dictates the pressure and saturation plume extension of the injected supercritical CO2 that could expand over large distances. This can lead to sources of risk, e.g., leakage and/or fault reactivation due to presence of wells, thief zones, and geological discontinuities. Therefore, there is a critical need to develop a model that describes how risk-related performance metrics (i.e., the CO2 saturation plume size, the pressure differential plume area, and the pressure differential at specific locations) vary as a function of the size of injection, time following injection, injection operations, and geologic environment. In this study, a systematic reservoir modeling studies of anthropogenic CO2 sequestration in Citronelle dome, Alabama, was performed where all relevant scenarios and conditions to address the questions of the saturation and pressure plume size in the area of review (AoR) and post-injection site care (PISC) are considered. The objective for this study was firstly to systematically simulate CO2 sequestration, i.e., saturation dynamics, and pressure behavior over a range of operational and geological conditions and to derive conclusions about the factors influencing saturation and pressure plume size, post-injection behavior, and the risk associated with them, by developing third-generation reduced order models (ROMs) for reservoir behavior. Finally, to assess the uncertainty associated with our studies, Latin Hypercube Sampling (LHS) together with an experimental design technique, i.e., Plackett–Burman design, was used. Application of Pareto charts and respond surfaces enabled us to determine the most important parameters impacting saturation and pressure plume sizes and to quantify the auto- and cross-correlation among different parameters in both history-matched and upscaled models.

58 GEOSCIENCES↗
DOE OSTI2023

Design of Muon Campus Full Flow Purifier for Varying Operational Conditions and Horizontal Shipping

The Muon Campus g-2 experiment requires stable helium supply at 5 K to the superconducting magnet. After a short period of operations, the pressure drop across the magnet’s flow supply valve increases due to impurities, resulting in reduced excess capacity concurrently with drop in refrigerator expander efficiency. This requires periodic powering down of the magnet to allow for helium valve “flush” to remove accumulated contamination at the valve as well as warming up the refrigerator expander above 80 K to release contamination. A “mobile” purifier is used for this periodic process but only at 10% of total refrigerator flow such that the purification process is extended. After long duration of running, this purification procedure is required almost every two weeks to restore proper liquid helium supply to the magnet. This shows requirement for full flow purifier which can purify impurities from entire Muon Campus refrigerator system and mitigate existing impurities issue and associated experiment downtime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Assessment of the Effect of Prototypic High-Burnup Operating Conditions of Fuel Fragmentation, Relocation, and Dispersal Susceptibility

The US nuclear energy industry is investigating strategies that further reduce the cost of energy production by using its existing fleet of nuclear generating stations. Most nuclear power plant operating costs are associated with purchasing fresh fuel assemblies or the efficiency of the reactor core design. Material costs are typically beyond the operator’s control; however, the core design optimizations offer potential operational savings. The core design envelope available to operators is constrained by two primary regulatory criteria: an enrichment limit of 5% 235 U and a burnup limit of 62 GWD/tU. These constraints have resulted in renewed efforts by the nuclear industry to pursue extending the peak rod-average burnup beyond 62 GWd/tU. This effort will likely require additional safety analyses beyond what is currently accepted by the US Nuclear Regulatory Commission. The purpose of this work is to demonstrate a best estimate plus uncertainty pin-by-pin high-burnup loss of coolant accident analysis technique to assess full-core high-burnup fuel fragmentation, relocation, and dispersal (FFRD) and identify approaches for minimizing or potentially mitigating FFRD through core design optimizations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Simulation Results of a Thermal Power Dispatch System from a Generic Pressurized Water Reactor in Normal and Abnormal Operating Conditions

Amid economic pressures in the U.S. electricity market, nuclear utilities are exploring new revenue streams, including hydrogen production. A generic pressurized water reactor simulator was modified to incorporate a novel design for a TPD system coupled to a hydrogen production plant. Standard malfunctions were included in the simulation design, including steam line breaks at various system locations and flow interruptions in the hydrogen plant due to multiple faults, reflecting anticipated operational challenges. It is imperative that the TPD system operation has a minimal effect on the reactor power, primary coolant system, and turbine system operation and performance. Due to the specific design and application of this TPD system, with the proposed turbine control system changes, the overall impact on the existing plant systems is low. Normal TPD operating scenarios resulted in minor effects on the existing plant systems: reactor power changes by at most 0.2%, and gross generator output changes by 20.5 MWe from 100 MWt of TPD. The most severe malfunction analyzed in this work is a full TPD steam line break downstream of the extraction location, which results in an increase in reactor power of about 0.5%. The gross generator output decreases by 36 MWe, a total decrease of 60 MWe from the full power steady state (FPSS) condition. These results indicate that an industrial hydrogen production plant could be coupled thermally to a nuclear power plant with limited effects on the existing system operation and safety.

08 HYDROGEN↗
DOE OSTI2024

Design of Muon Campus full flow purifier for varying operational conditions and horizontal shipping

Constant ingress of impurities in Muon Campus g-2 experiment at Fermilab has resulted in reduction of efficiency of cryogenic expanders and occasional undesired downtime to flush the impurities. Due to insufficiency of current 0.06 kg/s mobile purifier, a full flow purifier is designed to be used in Muon Campus which purifies 0.24 kg/s of Helium throughput of 4 compressors through charcoal bed at 80 K and returns ambient Helium back to the system. The purifier is designed to be operated near liquid Nitrogen temperature during cold operations and up to 400 K during regeneration. Both warm and cold operational range of the purifier has required use of appropriate clearances in design due to expansion and contraction. The vessel of around 5.5 m height which is designed to be operated vertically is to be shipped horizontally. The asymmetrical position of heavy stainless steel heat exchanger in the purifier support frame and 5g vertical load design consideration for shipping has required use of shipping supports and heat exchanger rotational stops to comply with design requirements. FEA of purifier system is performed in cold, warm and shipping cases to verify that the purifier satisfies the design requirements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Tailoring the Mass Transport to Achieve High-Performing Unitized Regenerative Fuel Cells Considering Practical Operating Conditions

Unitized regenerative fuel cells (URFCs) convert electrical energy to chemical bonds in hydrogen during charge and convert chemical energy to output electricity during discharge, offering a promising solution to long-term energy storage. Recent studies indicate that the round-trip-voltaic efficiency (RTE) and longevity of URFCs are limited by complex mass transport during charging and discharging. Here, we first investigate how different porous transport layer (PTL) structures can impact URFC performance. The preferred PTL has a low tortuosity and high porosity, leading to a high RTE above 50% at 1 A cm −2 using Nafion 212. Moreover, thicker membranes, such as Solvay 90, are required to ensure mechanical stability and minimize H 2 crossover when operating under high differential pressure. Although this assembly inevitably leads to a higher ohmic loss, the RTE can be improved by further tailoring the electrode structures to facilitate mass transport by using supported catalyst, which still achieves over 50% RTEs at 1 A cm −2 . Optimization of porous structure to mitigate mass transport resistance with appropriate materials down selection considering practical application requirements can be a key design principle for achieving high-performing URFCs.

25 ENERGY STORAGE↗
DOE OSTI2020

Behavioral responses of fish to a current-based hydrokinetic turbine under mutliple operational conditions

There is significant international interest in developing current-based marine and hydrokinetic (MHK) technologies to capture the power of tidal energy. However, concerns have been raised regarding the ecological effects of these projects on fish, including the risk of blade collision and behavioral impacts such as the disruption of migratory behavior and food acquisition and displacement from preferred habitats. In this study, we conducted mobile hydroacoustic surveys to track fish as they approached a tidal turbine deployed in Cobscook Bay, Maine. There was a significant decline in fish numbers with decreasing distance to the turbine, beginning approximately 140 m from the turbine. Similar declines were not observed at control transects or when the turbine was not spinning. The decline in fish numbers appeared to be the result of horizontal displacement, not vertical, movements to avoid the turbine. Noise rather than visual cues or flow field disturbance seemed to be a likely explanation for the reduced number of fish near the turbine. This finding, combined with near-field blade collision studies indicating a low probability of encounter, suggests that a single turbine poses a low collision risk to pelagic fish and that a single turbine is likely to result in minimal behavioral responses by fish. However, the risk may be different with additional devices, which will become more relevant as commercial-scale MHK arrays come under consideration. Therefore, the risks associated with commercial-scale operations will ultimately have to be evaluated to fully understand the ecological impacts of MHK devices.

42 ENGINEERING↗