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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

UAE6 - Wind Tunnel Tests Data - UAE6 - Sequence Q - Raw Data

Sequence Q: Dynamic Inflow (P) This sequence was designed to characterize the dynamic inflow variation using the five-hole probes that extend upwind of the leading edge of the blade. This test sequence used an upwind, rigid turbine with a 0° cone angle. The wind speeds ranged from 5 m/s to 15 m/s, and data were collected at a 0° yaw angle. The rotor rotated at 72 RPM. Blade and probe pressure measurements were collected. The teeter dampers were replaced with rigid links, and these two channels were flagged as not applicable by setting the measured values in the data file to -99999.99 Nm. The teeter link load cell was pretensioned to 40,000 N. The blade pitch angle was changed from the initial tip pitch angle to the final tip pitch angle at the maximum rate of 67°/s. This angle was maintained for the specified delay time duration. Then the blade was pitched back to the initial pitch angle and held for the specified hold time. This was repeated 20 times. The campaign at 15 m/s was aborted early due to excessive low-speed shaft torque loads. The file length varied depending on the time required to obtain 20 pitch cycles for the specified range of angles. The name convention was the standard format, except for the short campaigns collected to ascertain the functionality of the instrumentation. These points were collected at a 3° pitch angle and use the characters REF in the four digits that normally represent yaw angle.

17 WIND ENERGY↗
DOE OSTI2020

Power Grid Simulation Testbed for Transactive Energy Management Systems

To effectively engage demand-side and distributed energy resources (DERs) for dynamically maintaining the electric power balance, the challenges of controlling and coordinating building equipment and DERs on a large scale must be overcome. Although several control techniques have been proposed in the literature, a significant obstacle to applying these techniques in practice is having access to an effective testing platform. Performing tests at scale using real equipment is impractical, so simulation offers the only viable route to developmental testing at scales of practical interest. Existing power-grid testbeds are unable to model individual residential end-use devices for developing detailed control formulations for responsive loads and DERs. Furthermore, they cannot simulate the control and communications at subminute timescales. To address these issues, this paper presents a novel power-grid simulation testbed for transactive energy management systems. Detailed models of primary home appliances (e.g., heating and cooling systems, water heaters, photovoltaic panels, energy storage systems) are provided to simulate realistic load behaviors in response to environmental parameters and control commands. The proposed testbed incorporates software as it will be deployed, and enables deployable software to interact with various building equipment models for end-to-end performance evaluation at scale.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

FLEX-FUEL MIXING CONTROLLED COMBUSTION ENABLED BY PRECHAMBER IGNITION

There is an imminent need to displace fossil diesel fuel with cleaner burning, domestically produced, renewable fuels for use in heavy-duty engines. Bioethanol is a prime candidate as it widely adopted in the U.S. as a gasoline additive ranging in volume percentage from 10% (E10) up to 85% (E85). Direct substitution of market available ethanol-gasoline blends for diesel fuel is not plausible as the stark reactivity differences would not constitute the same ignition quality nor achieve auto-ignition at all. This work focuses on the development of prechamber enabled mixing-controlled combustion (PC-MCC) as an advanced combustion strategy to facilitate reliable ignition and diffusion style combustion ethanol-gasoline fuel blends. PC-MCC involves integration of an actively fueled prechamber (PC) into a conventional compression ignition combustion system. When ignited, the PC ejects hot turbulent jets into the main combustion chamber that then interact with the direct injected fuel, prompting immediate ignition. The PC jet flames provide a robust thermal ignition source that allows the engine to operate agnostic of fuel composition, or flex-fuel. Computational fluid dynamics (CFD) modeling was used to assess critical design features of the PC while garnering insights into the ignition strategies that facilitate robust performance. A key finding was the ignition performance benefits of fuel-rich PC operation which yield exothermic jets. Based on the numerical findings, a prototype igniter was tested experimentally on both single and multi-cylinder engine platforms at a variety of operating conditions. The experimental results indicate flex-fuel PC-MCC is well capable of diesel-like combustion processes by demonstrating matched or improved gross thermal efficiencies and load variability within 2%. Fuel grade ethanol (E98) exhibited consistently lower NOx and immeasurable soot across the load space. E98 also demonstrated a significant improvement in thermal efficiency at light loads.

Zeman, Jared↗
DOE OSTI2020

Real-Time Dynamic Brake Assessment for Heavy Commercial Vehicle Safety

This paper summarizes initial results and findings of a model developed to determine the braking performance of commercial motor vehicles in motion regardless of brake type or gross weight. Real-world data collected by Oak Ridge National Laboratory for a U.S. Department of Energy study was used to validate the model. Expanding on previous proof-of-concept research showing the linear relationship of brake application pressure and deceleration additional parameters such as elevation were added to the model. Outputs from the model consist of coefficients calculated for every constant pressure braking event from a vehicle that can be used to calculate a deceleration and thus compute a stopping distance for a given scenario. Using brake application pressure profiles derived from the dataset, stopping distances for light and heavy loads of the same vehicle were compared for various speed and road grades. For a constant brake application pressure profile (i.e. the pressure is relatively constant throughout the entire stop) it was shown that the lighter vehicle was able to stop in a shorter distance than the heavier vehicle in most scenarios other than large uphill grades. Significant changes in weight can be observed through the fuel efficiency of the vehicle to determine if the model needs to be calibrated with new or additional braking events. The model was initially developed for tracking brake performance to inform routine maintenance and the ordering of vehicles in a platoon but can be expanded to other connected and automated research areas.

Siekmann, Adam↗
DOE OSTI2026

Electrochemically recovered struvite matches conventional fertilizers in soil nutrient supply

Phosphorus (P) is an essential macronutrient for agriculture, yet global reliance on finite phosphorite reserves raises concerns about long-term food and nutrient security. Struvite (MgNH 4 PO 4 ·6H 2 O), a mineral recovered from municipal wastewater, represents a sustainable and circular source of P, but uncertainty remains regarding its nutrient availability relative to conventional fertilizers. This study evaluated the fertilizer value and environmental safety of electrochemically recovered struvite (RecoP) in comparison with diammonium phosphate (DAP), triple superphosphate (TSP), and rock phosphate (RockP). Nutrient availability, potential contaminant concentrations, and soil P and nitrogen (N) dynamics were assessed using standardized chemical analyses and an 8-week incubation experiment across three soils with contrasting soil types. RecoP contained 14.7% citrate-soluble P, significantly greater than RockP and comparable to DAP and TSP. Across all soils, RecoP increased both readily available and moderately labile P pools (p < 0.01), matching the performance of conventional fast-release fertilizers. Despite containing approximately half the total of DAP, RecoP stimulated nitrification rates that were 2.2 times greater than the control and exceeded those of TSP, suggesting that fertilizer-derived N bioavailability, rather than total N loading, governed microbial N transformation responses. Concentrations of potentially toxic elements in RecoP were consistently well below US Environmental Protection Agency regulatory limits thresholds. Collectively, these results indicate that RecoP functions as a readily available source of both P and N, comparable to widely used conventional fertilizers, while meeting environmental safety standards. RecoP therefore represents a viable component of sustainable nutrient management strategies that support P recycling and agricultural productivity.

Kharal, Sudarshan [Ohio Univ., Athens, OH (United ↗
DOE OSTI2021

Visualizing Interfacial Jamming Using an Aggregation-Induced-Emission Molecular Reporter

With the interfacial jamming of nanoparticles (NPs), a load-bearing network of NPs forms as the areal density of NPs increases, converting the assembly from a liquid-like into a solid-like assembly. Unlike vitrification, the lineal packing of the NPs in the network is denser, while the remaining NPs can remain in a liquid-like state. It is a challenge to determine the point at which the assemblies jam, since both jamming and vitrification lead to a solid-like behavior of the assemblies. Herein, we show a real-time fluorescence imaging method to probe the evolution of the interfacial dynamics of NP surfactants at the water/oil interface using aggregation-induced emission (AIE) as a reporter for the transition of the assemblies into the jammed state. The AIEgens show typical fluorescence behavior at densities at which they can move and rotate. However, when aggregation of these fluorophores occurs, the smaller intermolecular separation distance arrests rotation, and a significant enhancement in the fluorescence intensity occurs.

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

Micro–macro finite element modeling method for rub response in abradable coating materials

Gas turbine engines experience “rub” when the rotating blades come in contact with a static abradable coating. This results in extreme strain rates and dynamics inside a high-temperature/high-pressure environment. Current rub models are phenomenological and do not reflect the underlying microstructures, thus limiting their prediction accuracy. In this work, a microstructure-informed, reduced order modeling framework is introduced for simulating abradable coating “rub" behavior. This framework comprises a microscale model constructed based on digitized abradable microstructure and explicitly simulates the mechanical behavior of each constituent phases and their interactions. After calibration and validation with experiment data, the calibrated microscale model is used to generate data across a vast range of applied strain rates and temperature with various load paths. Then, the virtually generated data are used to fit the macroscopic-reduced order model, which enables fast component scale rub simulation without compromising the integrity of the complex material behavior. In conclusion, the proposed effort will address the technical challenge of predicting abradable material behavior during rub through the application of multiscale modeling from microstructure to engines behavior, effectively reducing the development costs and time of new abradable material for better “rub” properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Performance of multifunctional piezoelectric energy harvesting microgyroscopes with material degradation

Most microelectromechanical systems (MEMS) are made from brittle materials that are prone to cracking. Damage from the formation of cracks can occur anytime during the manufacturing process or due to mechanical loading of MEMS devices. Cracks can increase the structures flexibility and lead to changes in performance or total failure. Understanding the potential influences cracks in MEMS is necessary for the longevity of these systems. The energy harvesting microgyroscope studied in this work is susceptible to crack propagation in its silicon substrate and lead zirconate titanate piezoelectric patch. To this end, an electromechanical model is developed to capture the impacts of cracks on the performance of a damaged energy harvesting microgyroscope. Numerical methods are used to approximate the damage associated with distributed crack networks. Then, the static and dynamic responses of the damaged microgyroscope are analyzed for two possible multifunctional setups. Here, the current study revealed that cracks can significantly affect the static and dynamic behaviors of the microgyroscope energy harvester. Combinations of cracking and piezoelectric property degradation cause a decrease in the static pull-in voltage and shift the resonance frequencies of the system. Additionally, it is shown that the systems sensitivity to changes in the base rotation and energy harvesting capabilities vary widely depending on the severity of material degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Locally Confined Polysulfide-Reactive Electrolytes for Shuttle-Free Sodium–Sulfur Batteries

Sodium-sulfur batteries promise high-energy-density and sustainable electrochemical energy storage but suffer from uncontrolled polysulfides dissolution and high sodium reactivity. These challenges fundamentally originate from poor electrolyte-electrode compatibility. Current electrolyte research inadequately addresses the trade-off between minimal polysulfides solvation and stabilizing sodium interfaces. Here, we present a locally-confined polysulfide-reactive electrolyte strategy that mediates the polysulfide dissolution dynamics and sodium stability by leveraging an electrophilic solvating species with a localized high-concentration electrolyte. This design enables shuttle-free cell operation by synergistically restricting the global solvating power of the electrolyte through intermolecular interactions and locally scavenging sparingly dissolved polysulfides via electrolyte electrophilicity. The precisely confined surface reaction facilitates a protective cathode-electrolyte interface, realizing a quasi-solid-state sulfur conversion in our liquid ether-based electrolyte, which crucially avoids crossover-induced catastrophic sodium-metal degradation. The proposed electrolyte demonstrates long-term cycling of high-mass-loading sulfur cathodes (> 3 mg S cm −2 with commercial carbon host and 70 wt% sulfur content), which afford 710 mA h g −1 over 400 cycles in coin cells and steady pouch cell operation over 180 cycles. Furthermore, this work establishes a scalable electrolyte design protocol that regulates the reaction chemistry of highly reactive electrodes, offering a pathway toward sustainable renewable energy storage.

25 ENERGY STORAGE↗
DOE OSTI2020

Impact analysis of personalized thermostat demand response

Demand response (DR) aims to curtail peak electric load to avoid running inefficient power plants, reduce costly transmission capacity increases, and improve grid reliability. One method of DR for residential settings involves the utility or third part remotely adjusting thermostat temperatures. Cooling setpoints may be increased 2°F – 6°F for hours, irrespective of occupant comfort. To maintain their comfort, occupants override these setpoint changes impacting the reliability of DR services provided to the grid. This paper presents a preliminary impact analysis of replacing the current DR approach of uniform thermostat setbacks for an entire population with personalized and context aware DR based on a dynamic model of occupant thermal comfort behavior. Over 151k interactions with ecobee thermostats are analyzed to predict the impact of such personalized DR on overrides, energy curtailment magnitude, and reliability.

Kane, Michael↗
DOE OSTI2021

Albumin in patients with liver disease shows an altered conformation

Abstract Human serum albumin (HSA) constitutes the primary transporter of fatty acids, bilirubin, and other plasma compounds. The binding, transport, and release of its cargos strongly depend on albumin conformation, which is affected by bound ligands induced by physiological and pathological conditions. HSA is both highly oxidized and heavily loaded with fatty acids and bilirubin in chronic liver disease. By employing small-angle X-ray scattering we show that HSA from the plasma of chronic liver disease patients undergoes a distinct opening compared to healthy donors. The extent of HSA opening correlates with clinically relevant variables, such as the model of end-stage liver disease score, bilirubin, and fatty acid levels. Although the mild oxidation of HSA in vitro does not alter overall structure, the alteration of patients’ HSA correlates with its redox state. This study connects clinical data with structural visualization of albumin dynamicity in solution and underlines the functional importance of albumin’s inherent flexibility.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Novel Mito-Nuclear Combinations Facilitate the Global Invasion of a Major Agricultural Crop Pest

A fundamental understanding of the underlying mechanisms involved in biological invasions is crucial to developing effective risk assessment and control measures against invasive species. The fall armyworm (FAW), Spodoptera frugiperda, is a highly invasive pest that has rapidly spread from its native Americas into much of the Eastern Hemisphere, with a highly homogeneous nuclear genetic background. However, the exact mechanism behind its rapid introduction and propagation remains unclear. Here, a systematic investigation is conducted into the population dynamics of FAW in China from 2019 to 2021 and found that FAW individuals carrying “rice” mitochondria (FAW-mR) are more prevalent (>98%) than that with “corn” mitochondria (FAW-mC) at the initial stage of the invasion and in newly-occupied non-overwintering areas. Further fitness experiments show that the two hybrid-strains of FAW exhibit different adaptions in the new environment in China, and this may have been facilitated by amino acid changes in mitochondrial-encoded proteins. FAW-mR used increases energy metabolism, faster wing-beat frequencies, and lower wing loadings to drive greater flight performance and subsequent rapid colonization of new habitats. In contrast, FAW-mC individuals adapt with more relaxed mitochondria and shuttle energetics into maternal investment, observed as faster development rate and higher fecundity. The presence of two different mitochondria types within FAW has the potential to significantly expand the range of damage and enhance competitive advantage. Overall, the study describes a novel invasion mechanism displayed by the FAW population that facilitates its expansion and establishment in new environments.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs

Computational bioinformatics and biomedical applications frequently contain heterogeneously sized units of work or tasks, for instance due to variability in the sizes of biological sequences and molecules. Variable-sized workloads lead to load imbalances in parallel implementations which detract from efficiency and performance. Many modern computing resources now have multiple graphics processing units(GPUs) per computer for acceleration. These multiple GPU resources need to be used efficiently through balancing of workloads across the GPUs. OpenMP is a portable directive-based parallel programming API used ubiquitously in bioscience applications to program CPUs; recently, the use of OpenMP directives for GPU acceleration has become possible. Here, motivated by experiences with imbalanced loads in GPU-accelerated bioinformatics applications, we address the load balancing problem using OpenMP task-to-GPU scheduling combined with OpenMP GPU offloading for multiply heterogeneous workloads – loads with both variable input sizes, and simultaneously, variable convergence rates for algorithms with a stochastic component – scheduled across multiple GPUs. We aim to develop strategies which are both easy to use and have lower overheads, and may be incorporated incrementally in existing programs which already make use of OpenMP for CPU-based threading in order to make use of multi-GPU computers. We test different combinations of input size variability and convergence rate variability, and characterize the effects of these different scenarios on the performance of scheduling strategies across multiple GPUs with OpenMP. We present several dynamic scheduling solutions for different parallel patterns, explore optimizations, and provide publicly available example computational kernels to make these strategies easy to use in programs. This work will enable application developers to efficiently and easily use multiple GPUs for imbalanced workloads found in bioinformatics and biomedical applications.

Thavappiragasam, Mathialakan↗
DOE OSTI2025

Cu Evolution over Bimetallic Cu‐Y/Beta Zeolite Under H 2 and Ethanol Atmospheres: Unveiling the Role of Diatomic Metal–Metal Interactions

Understanding the dynamic evolution of Cu species under varying environmental conditions is critical for addressing challenges related to the activity and the stability of copper‐based catalysts in thermo‐, photo‐, and electrocatalysis. However, metal–metal interactions between dual single atoms and their effects on Cu evolution after exposure to different environmental molecules remain underexplored. Herein, we synthesized bimetallic Cu‐Y/Beta catalysts with dual single‐atom Cu and Y sites and monometallic Cu‐Beta catalysts with isolated Cu sites in dealuminated Beta zeolites. By varying Cu and Y compositions, diatomic interactions were studied under H 2 and ethanol atmospheres. With 6 wt% Y loading, approximately 0.4 wt% of Cu species in Cu‐Y/Beta remained partially oxidized as Cu(I) after reduction in pure H 2 at 350 °C, in contrast to the full transition to metallic Cu observed in Cu‐Beta. Combining X‐ray absorption spectroscopy with kinetic studies revealed that metallic Cu became the predominant species after reduction with H 2 as Cu loading increased from 0.4 to 1.7 wt%, quadrupling the initial ethanol dehydrogenation rate and demonstrating the dominant role of Cu(0) sites. In conclusion, scanning transmission electron microscopy and density functional theory simulations indicated spatial proximity between dual single‐atom Cu and Y sites and elucidated Cu speciation controlled by diatomic interactions.

Copper↗
DOE OSTI2022

Strain dependent electronic and optical responses of penta-BCN monolayer

We report here, structural, dynamic, and mechanical stability in pentagonal boron carbon nitride (p-BCN) monolayer, a new member of direct bandgap two-dimensional (2D) semiconductor. The identified visible range bandgap with excellent mechanical strength allows it to be a promising candidate material in optoelectronics, nanomechanics, and optomechanical sensors. By employing density functional theory (DFT), we reveal a unique geometrical reconstruction with rigidity in B–N and C–N bond lengths with applied strain. These quasi-sp 3 hybridized short and strong covalent bonding and unique geometry support the monolayer to possess extraordinary mechanical response. The desired bandgap is manipulated by loading the biaxial strain. Most importantly, our predictions on p-BCN show excellent optical response such as good static dielectric constant and refractive index, strong optical absorption (up to 1.08 x 10 5 cm -1 in VR and 7.01 x 10 cm -1 in UV) with small energy loss and reflectance both appearing in visible and ultraviolet regions (UV). The desired optical response along with the blue and red shift is demonstrated by tailoring with tensile and compressive strain. The predicted strong optical anisotropy provides it’s application in polarized photodetection.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An investigation of shock-induced phase transition in soda-lime glass

There exists a large body of evidence from experiments and molecular dynamics simulations to suggest the occurrence of phase transitions in soda-lime glass (SLG) and other silica glasses subject to shock compression to pressures above 3 GPa. In light of these findings, the current work investigated the existence of phase transition in SLG using shock and release experiments. The experiments employed symmetric SLG–SLG impact to achieve complete unloading to zero stress after shock compression to stresses in the range of 3–7 GPa. The stress–strain response and the Lagrangian release wave speed behavior of SLG obtained from these experiments are seen to reveal a mismatch between the loading and unloading paths of the pressure–strain curve for the material, which serves as compelling evidence for the occurrence of a shock-induced phase transition in the material at relatively low pressures. Furthermore, the release wave speed vs strain data obtained from experiments were used to construct a methodology for modeling the shock and release behavior of SLG. Lastly, this scheme implemented in numerical simulations was able to capture the release behavior of shock compressed SLG, for which a robust and satisfactory model was previously unavailable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

High-pressure and temperature neural network reactive force field for energetic materials

Reactive force fields for molecular dynamics have enabled a wide range of studies in numerous material classes. These force fields are computationally inexpensive compared with electronic structure calculations and allow for simulations of millions of atoms. However, the accuracy of traditional force fields is limited by their functional forms, preventing continual refinement and improvement. Therefore, we develop a neural network-based reactive interatomic potential for the prediction of the mechanical, thermal, and chemical responses of energetic materials at extreme conditions. The training set is expanded in an automatic iterative approach and consists of various CHNO materials and their reactions under ambient and shock-loading conditions. Further, this new potential shows improved accuracy over the current state-of-the-art force fields for a wide range of properties such as detonation performance, decomposition product formation, and vibrational spectra under ambient and shock-loading conditions.

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

Modeling Approach for the Aluminum-clad Dry Storage Pilot using HFIR Fuel

To confirm that the dry storage of aluminum-clad research reactor spent nuclear fuel (ASNF) will remain within the safety envelope after applied drying schemes and that the resulting evolution of the gas space composition, temperature, and pressure conditions are understood, a dry storage pilot project is being established. The pilot will incorporate an instrumented lid for discrete interval or for on-demand gas composition and temperature monitoring of two DOE Standard Canisters (DSCs) loaded with three High Flux Isotope Reactor (HFIR) inner cores per DSC. Each DSC would be subjected to a separate alternative candidate drying scheme. Canisters will undergo 1 to 5 years of monitoring, including internal temperature and gas sampling to track pressure and composition changes. This report outlines the approach for modeling the ASNF-in-canister behavior in terms of evolving gas space conditions for the ASNF dry storage pilot using HFIR fuel. The ASNF has an adherent surface oxyhydroxide layer comprised of boehmite/bayerite that generates hydrogen when subjected to irradiation. Three-dimensional multi-physics computational fluid dynamics simulations will be executed to compute the thermal field within the DSC and provide inputs to a chemical model employed to compute pressure buildup as hydrogen is generated in the system. Implemented in Cantera, the chemical model solves gas phase and aluminum oxyhydroxide surface-mediated radiolysis reactions. Gas phase reactions are sourced from Wittman and Hanson (2015), whereas surface-mediated reactions are incorporated by fitting experimental data using an optimization algorithm (Abboud, 2023). Water radiolysis reactions from Wren and Ball (2001) are adopted with modifications as described in Abboud (2023c). Understanding the effect of the hydrogen buildup over time is important for long-term storage safety considerations. Modeling results will include the canister pressure, temperature, and composition evolution from the initial helium backfill with the addition of radiolytically-evolved chemical species (e.g., hydrogen and oxygen). The specific HFIR cores for the pilot program have not yet been selected, and the overall design is still in development. The CFD-chemical model used for this work will be based on prior models with necessary updates to allow for improved accuracy and efficiency. The experimental data obtained from the HFIR demonstration will be used to improve and validate the computational models to predict the ASNF-in-canister behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗