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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Design, Analysis, and Experimental Testing of Hydrogen Lean Direct Injection Nozzles at Elevated Pressure

Abstract There are many challenges of commissioning a hydrogen combustor into future gas turbine engines; especially regarding achieving emissions goals. Previously, Escudero et al. and Tran et al. conducted a study to adapt the liquid fuel Lean Direct Injection (LDI) concept from Jet-A to gaseous natural gas-hydrogen blends and pure hydrogen [1], [2]. Experimental data was collected at atmospheric conditions using a Box Behnken design of experiments. The design of experiments suggested that biasing the air split in favor of the inner air circuit and increasing the swirl strength of this inner air passage resulted in improved NOx emissions, while the inverse was true for stability, which was quantified by studying the lean blowoff point (LBO) [1], [2]. The trends revealed by the original experiment [1], [2] provided a design direction for further iterations of the experimental hardware. The study presented herein describes the further investigation of such LDI injectors through experimental methods and computational fluid dynamic (CFD) simulations at atmospheric conditions, which were used to identify potential flow behaviors driving enhanced emissions performance. Further evaluation of select injectors from both studies was then conducted at elevated pressures up to 6 atmospheres. The results from both experiments are presented in this study, which include flame observations, emissions measurements, and operational challenges. NOx emissions results are reported on a volume basis in ppmvd corrected to 15% O2 and corrected for fuel. A predictive model for relating NOx emissions to test conditions at atmospheric conditions show high significance to adiabatic flame temperature while little to no significance to fuel composition for the best performing configurations. The results illustrate the connection between atmospheric testing and testing elevated pressures. The design direction indicated by the initial tests and CFD results in promising configurations for implementation into a Multi-point LDI array.

08 HYDROGEN↗
DOE OSTI2025

Bounding entanglement entropy with Clifford double cosets

Following on our previous work studying the orbits of quantum states under Clifford circuits via reachability graphs, we introduce contracted graphs whose vertices represent classes of quantum states with the same entropy vector. These contracted graphs represent the double cosets of the Clifford group, where the left cosets are built from the stabilizer subgroup of the starting state and the right cosets are built from the entropy-preserving operators. We study contracted graphs for stabilizer states, as well as 𝑊 states and Dicke states, discussing how the diameter of a state's contracted graph constrains the entropic diversity of its two-qubit Clifford orbit. We derive an upper bound on the number of entropy vectors that can be generated using any 𝑛-qubit Clifford circuit, for any quantum state. Here, we speculate on the holographic implications for the relative proximity of gravitational duals of states within the same Clifford orbit. Although we concentrate on how entropy evolves under the Clifford group, our double-coset formalism, and thus the contracted graph picture, is extendable to generic gate sets and generic state properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Inverter-Based Power Systems From an Electric Circuit Perspective

This presentation reports a twin circuit theory that enables us to interpret power system dynamics from a electric circuit perspective. Our proposed twin circuit theory can roughly prove the dissipating energy flow (DEF) method, and shows the positive impacts of well-designed grid-forming (GFM) inverters on power systems stability.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Benzotriazole‐Based Nonfused Ring Acceptors for Efficient and Thermally Stable Organic Solar Cells

Abstract Nonfused ring acceptors (NFRAs) have attracted significant attention for nonfullerene organic solar cells (OSCs) owing to their chemical tunability and facile synthesis. In this study, a benzotriazole‐based NFRA with chlorinated end groups (Triazole‐4Cl) is developed to realize highly efficient and thermally stable NFRA‐based OSCs; an analogous NFRA with nonchlorinated end groups (Triazole‐H) is synthesized for comparison. Triazole‐4Cl film exhibits the high‐order packing structure and the near‐infrared absorption capability, which are advantageous in charge transport and light harvesting of the resulting OSCs. In particular, the strong crystalline behavior of Triazole‐4Cl results in enhanced self‐aggregation, leading to high charge carrier mobility. Owing to these properties, a PBDB‐T (polymer donor):Triazole‐4Cl OSC demonstrates a high short‐circuit current, fill factor, and power conversion efficiency (PCE = 10.46%), outperforming a PBDB‐T:Triazole‐H OSC (PCE = 7.65%). In addition, the thermal stability of a PBDB‐T:Triazole‐4Cl OSC at an elevated temperature of 120 °C exceeds that of a PBDB‐T:Triazole‐H OSC. This is mainly attributed to the significantly higher cold crystallization temperature of Triazole‐4Cl (205.9 °C). This work provides useful guidelines for the design of NFRAs to achieve efficient and thermally stable NFRA‐based OSCs.

Polymer Science↗
DOE OSTI2025

Explainable artificial intelligence relates perovskite luminescence images to current-voltage metrics

As the demand for low-cost, high-efficiency solar energy technologies grows, metal halide perovskite (MHP) solar cells have emerged as a promising candidate for next-generation photovoltaics due to their high power conversion efficiencies. However, their poor durability and issues with manufacturing consistency remain significant barriers to commercialization. In this work, we develop deep learning models to support materials characterization and provide insight into features and processes influencing performance. The models are trained using transfer learning of a pretrained model to predict relevant current-voltage (IV) metrics based on different combinations of input electroluminescence (EL) and photoluminescence (PL) images of MHP devices. We examine which image types are most informative in accurately predicting different IV metrics. Additionally, we use explainable artificial intelligence (XAI) techniques to provide insights into specific spatial features in the devices that drive differences in performance. We find that stabilized luminescence images (e.g. those collected after biasing the devices for at least 1 min) are better for predicting metrics of open-circuit voltage (by PL) and short-circuit current (by PL with EL), but that predicting fill factor and overall power output may use the time-evolution of EL images. Based on attribution masks generated by integrated gradients for each device performance metric, we further suggest different loss mechanisms associated with categories of large and small spatial defects. Overall, this case study highlights the potential applicability of XAI methodology for streamlining MHP device analysis and accelerating detailed understanding of the relationships between spatial defects and impacts on performance.

14 SOLAR ENERGY↗
DOE OSTI2020

Unitary Subharmonic Response and Floquet Majorana Modes

Detection and manipulation of excitations with non-Abelian statistics, such as Majorana fermions, are essential for creating topological quantum computers. To this end, we show the connection between the existence of such localized particles and the phenomenon of unitary subharmonic response (SR) in periodically driven systems. In particular, starting from highly nonequilibrium initial states, the unpaired Majorana modes exhibit spin oscillations with twice the driving period, are localized, and can have exponentially long lifetimes in clean systems. While the lifetime of SR is limited in translationally invariant systems, we show in this work that disorder can be engineered to stabilize the subharmonic response of Majorana modes. A viable observation of this phenomenon can be achieved using modern multiqubit hardware, such as superconducting circuits and cold atomic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

In Situ Synthesis of Phosphate-Based CelloMOF as a Promising Separator for Li–Ion Batteries

Nowadays, battery separators play a critical role in determining the sustainability, electrochemical efficiency, and safety of lithium-ion batteries (LIBs). In this contribution, we developed fire-resistant composite membranes called CelloMOF by in situ grafting of metal-organic framework, ZIF-67, onto phosphorylated cellulose nanofibers (P-CNFs) followed by a vacuum filtration process akin to papermaking. The hybrid ZIF-67@P-CNF membrane exhibits superior properties than a polyolefin-based commercial separator (CS) in terms of enhanced thermal and dimensional stability, flame-retardant properties, better surface wettability, and improved electrolyte uptake. Thermal dimensional stability tests revealed that the ZIF-67@P-CNF separator maintained its structure even at 200 °C, whereas CS suffered severe shrinkage, potentially leading to internal short circuits. Combustion tests showed a peak heat release rate (PHRR) of 34.5 W/g and a total heat release (THR) of 1.61 kJ/g for ZIF-67@P-CNF, significantly lower than the PHRR (1111.82 W/g) and THR (40.89 kJ/g) of CS. The composite separator also demonstrated significantly improved wettability, with a contact angle of 32 ± 1.04°, compared to 92 ± 1.07° for CS, highlighting its hydrophilic nature. Electrochemical evaluations in LiFePO 4 /Li half-cells indicated a higher discharge capacity of 149 mA h g -1 at 0.2 C and superior capacity retention of 86% after 50 cycles, outperforming CS (145 mA h g -1 and 84%, respectively). In conclusion, these results underscore the potential of the ZIF-67@P-CNF membrane to advance safe, high-performance LIBs by addressing critical challenges in thermal stability, flame retardancy, and electrolyte compatibility.

ZIF-67↗
DOE OSTI2024

Nano Scale Poly(vinylidene chloride-co-acrylonitrile) Protection for Reversible and Stable Mg Anode Interface

This study investigates the efficacy of a polymer coating, PVdC-co-AN, in enhancing the stability and reversibility of the electrochemical Mg anode interface. Coated electrodes, immersed in a 0.25 M Mg(TFSI) 2 −0.50 M MgCl 2 /dimethoxyethane (DME) electrolyte, exhibit notable improvements. Cyclic voltammetry demonstrates consistent behavior with the coated electrode, while the uncoated electrode changes dramatically. During extended open circuit potential conditions, the coated electrode maintains much higher coulombic efficiency (93%) compared to the uncoated electrode (62%). Galvanostatic cycling test over 200 cycles further show the benefits of the PVdC-co-AN coating, decreasing the overpotential of Mg plating and improving long-term stability. The coated electrodes also demonstrate improved rate capability at higher current densities. Surface analysis reveals differences in the formation of byproducts between the coated and uncoated electrodes, indicating a more stable and uniform interface in the former. Nuclear magnetic resonance (NMR) spectroscopy suggests that the polymer influences ion mobility through tuning the solvation environments which results in better kinetics and fewer byproducts. In summary, the study affirms that the PVdC-co-AN coating significantly improves the stability and performance of Mg electrochemistry, offering a promising advancement for practical battery applications.

25 ENERGY STORAGE↗
DOE OSTI2020

Impacts of Ternary-Pumped Storage Hydropower on U.S. Western Interconenction with Extremely High Renewable Penetrations

In recent years, ternary pumped storage hydropower (T-PSH), as one of the advanced PSH technologies, has attracted more attention from the industry. The interest is because of the capability of providing fast power support for the future electric grid with high penetration of renewable energy (RE). This paper focuses on studying the impact of T-PSH on frequency response of the U.S. Western Interconnection under different penetration levels of RE, which are from 20% to 80%. The detailed model of T-PSH is developed and implemented in the Western Interconnection grid model based on the GE Positive Sequence Load Flow (PSLF) platform, which can capture the unique dynamics of hydraulic short-circuit (HSC) mode and fast mode switching of T-PSH. To reveal the dynamic benefit from T-PSH, the frequency response of the Western Interconnection has been compared with and without T-PSH. In addition, a new solution is discussed that uses T-PSH to improve system stability issues caused by high RE penetration.

13 HYDRO ENERGY↗
DOE OSTI2024

T-Type Modular DC Circuit Breaker (T-Breaker) for Future DC Networks

The developed T-Type Modular DC Circuit Breaker (T-Breaker) technology offers an all-in-one solution to challenges in DC networks. This includes swift fault detection and protection, power transient stability, and power quality improvement, achieved through the utilization of wide bandgap (WBG) power semiconductors and energy storage devices. The T-Breaker not only facilitates rapid fault current detection and interruption but also implements fault current limiting through active insertion of storage devices or by operating WBG devices in the saturation region. Additionally, with the assistance of energy storage devices, potential overvoltage issues on power devices induced by control signal misalignment can be mitigated. The T-Breaker can be regulated to perform shunt current injection/absorption using the vertical arm and series voltage insertion via the horizontal arm, thereby enhancing DC system stability during voltage or load power fluctuation transients. The OSU team and Raytheon team actively worked together on designing, fabricating, assembling, and testing of two T-Breaker prototypes. The first prototype is rated at 1 kV, 500 A with half-bridge (unipolar) structure to validate the T-Breaker concept. The second prototype is rated at 20 kV, 50 A with full-bridge (bipolar) topology which can reach an efficiency of 99.977%, realize a power density of 60.2 MW/m3, and eliminate the 500-A fault current with a fault response time of around 20 µs. The prototypes show great feasibility of adopting this technology in multiple applications including electrified aircraft, super charging stations, data centers, etc.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Efficient learning of t -doped stabilizer states with single-copy measurements

One of the primary objectives in the field of quantum state learning is to develop algorithms that are time-efficient for learning states generated from quantum circuits. Earlier investigations have demonstrated time-efficient algorithms for states generated from Clifford circuits with at most log ⁡ ( n ) non-Clifford gates. However, these algorithms necessitate multi-copy measurements, posing implementation challenges in the near term due to the requisite quantum memory. On the contrary, using solely single-qubit measurements in the computational basis is insufficient in learning even the output distribution of a Clifford circuit with one additional T gate under reasonable post-quantum cryptographic assumptions. In this work, we introduce an efficient quantum algorithm that employs only nonadaptive single-copy measurement to learn states produced by Clifford circuits with a maximum of O ( log ⁡ n ) non-Clifford gates, filling a gap between the previous positive and negative results.

Physics↗
DOE OSTI2023

Measuring qubit stability in a gate-based NISQ hardware processor

Some of the most problematic issues that limit the implementation of applications on Noisy Intermediate Scale Quantum (NISQ) machines are the adverse impacts of both incoherent and coherent errors. We conducted an in-depth study of coherent errors on a quantum hardware platform using a transverse field Ising model Hamiltonian as a sample user application. We report here on the results from these computations using several error mitigation protocols that profile these errors and provide an indication of the hardware qubit stability. Through a detailed set of measurements we identify inter-day and intra-day qubit calibration drift and the impacts of quantum circuit placement on groups of qubits in different physical locations on the processor. This paper also discusses how these measurements can provide a better understanding of these types of errors and how they may improve efforts to validate the accuracy of quantum computations.

Yeter-Aydeniz, Kübra↗
DOE OSTI2021

Influence of Inverter-Based Resources on Microgrid Protection: Part 1: Microgrids in Radial Distribution Systems

Microgrids are being deployed at a rising rate, primarily as a means of increasing power system resilience. Commonly, a microgrid today includes at least some inverter-based resources (IBRs), and many microgrids have modes or conditions under which they are entirely energized by IBRs. Also, most microgrids today are deployed on radial distribution circuits, but it is conceivable that they could also be considered for deployment on secondary network systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Lead-chelating hole-transport layers for efficient and stable perovskite minimodules

The defective bottom interfaces of perovskites and hole-transport layers (HTLs) limit the performance of p-i-n structure perovskite solar cells. We report that the addition of lead chelation molecules into HTLs can strongly interact with lead(II) ion (Pb 2+ ), resulting in a reduced amorphous region in perovskites near HTLs and a passivated perovskite bottom surface. Here, the minimodule with an aperture area of 26.9 square centimeters has a power conversion efficiency (PCE) of 21.8% (stabilized at 21.1%) that is certified by the National Renewable Energy Laboratory (NREL), which corresponds to a minimal small-cell efficiency of 24.6% (stabilized 24.1%) throughout the module area. Small-area cells and large-area minimodules with lead chelation molecules in HTLs had a light soaking stability of 3010 and 2130 hours, respectively, at an efficiency loss of 10% from the initial value under 1-sun illumination and open-circuit voltage conditions.

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

Scalable Open-Air Deposition of Compact ETL TiOx on Perovskite for Fullerene-Free Solar Cells

We report on a scalable, low-temperature TiOx electron transport layer (ETL) produced directly on top of perovskite in an inverted architecture device by an open-air chemical vapor deposition (OA-CVD) process. The OA-CVD pyrolysis of a titanium ethoxide precursor forms a fully inorganic, conformal, and compact TiOx film. The resultant film is mechanically robust and exhibits a fracture toughness 30-fold higher than commonly used fullerene-based ETL films. The TiOx is an effective barrier layer against environmental degradation—unencapsulated devices with the TiOx ETL retain 60% of their initial efficiency after 1000 hours in ambient aging conditions—compared to devices with a fullerene ETL which were inoperable after 144 hours. Inverted architecture devices with an optimized TiOx ETL thickness of 70nm exhibited high open-circuit voltages of 1.08V. We comment on the photocatalytic properties of TiOx and the influence of an amorphous film on maximum power point stability.

Chen, Justin↗
DOE OSTI2022

Processing, structure, and thermal properties of ZrW 2 O 8 , HfW 2 O 8 , HfMgW 3 O 12 , Al(HfMg) 0.5 W 3 O 12 , and Al 0.5 Sc 1.5 W 3 O 12 negative and zero thermal expansion coefficient ceramics

Negative and zero coefficient of thermal expansion (CTE) materials are of interest for developing polymer composites in electronic circuits that match the expansion of Si and in zero CTE supports for optical components, e.g., mirrors. In this work, the processing challenges and stability of ZrW 2 O 8 , HfW 2 O 8 , HfMgW 3 O 12 , Al(HfMg) 0.5 W 3 O 12 , and Al 0.5 Sc 1.5 W 3 O 12 negative and zero thermal expansion coefficient ceramics are discussed. Al 0.5 Sc 1.5 W 3 O 12 is demonstrated to be a relatively simple oxide to fabricate in large quantity and is shown to exhibit single phase up to 1300 °C in air and inert N 2 environments. The negative and zero CTE behavior was confirmed with dilatometry. Thermal conductivity and heat capacity were reported for the first time for HfMgW 3 O 12 and Al 0.5 Sc 1.5 W 3 O 12 and thermal conductivity was found to be very low (~0.5 W/mK). Grüneisen parameter is also estimated. Methods for integration of Al 0.5 Sc 1.5 W 3 O 12 with other materials was examined and embedding 50 vol% of the ceramic powder in flexible epoxy was demonstrated with a commercial vendor.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The Effect of Artificial SEIs on Lithium Metal Anode Morphology and Conductivity

Lithium metal has often been termed the “holy grail” of battery technology, due to its high capacity (2,061 mAh/cm3) and low electrochemical potential (-3.04 V vs. SHE). However, lithium’s beneficially low potential also causes it to be highly reactive in the presence of organic solvents, making it difficult to harness the high energy capabilities for rechargeable batteries. Common failure of lithium metal batteries occurs by rapid dendrite growth leading to a hazardous short-circuit. Various methods have been brought forth to better understand the fundamental mechanisms of lithium metal batteries, as well as modifications made to better stabilize lithium metal. A common route of modification is done through interface engineering, with attempts to artificially provide a stable, homogeneous solid-electrolyte interface (SEI). The stability of the SEI has direct effects on the heterogeneity of the electrode surface, which initiates a waterfall effect of for progressive reactions such as dendrite growth, dead lithium accumulation, and electrolyte consumption. This work aims to produce a mixed LiI-LiF artificial SEI to improve ionic conductivity while retaining a high elastic modulus.

25 ENERGY STORAGE↗