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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 487 records · Page 27

Control of Host-Matrix Morphology Enables Efficient Deep-Blue Organic Light-Emitting Devices

Mixing a sterically bulky, electron-transporting host material into a conventional single host–guest emissive layer is demonstrated to suppress phase separation of the host matrix while increasing the efficiency and operational lifetime of deep-blue phosphorescent organic light-emitting diodes (PHOLEDs) with chromaticity coordinates of (0.14, 0.15). Here, the bulky host enables homogenous mixing of the molecules comprising the emissive layer while suppressing single host aggregation; a significant loss channel of nonradiative recombination. By controlling the amorphous phase of the host-matrix morphology, the mixed-host device achieves a significant reduction in nonradiative exciton decay, resulting in 120 ± 6% increase in external quantum efficiency relative to an analogous, single-host device. In contrast to single host PHOLEDs where electrons are transported by the host and holes by the dopants, both charge carriers are conducted by the mixed host, reducing the probability of exciton annihilation, thereby doubling of the deep-blue PHOLED operational lifetime. These findings demonstrate that the host matrix morphology affects almost every aspect of PHOLED performance.

36 MATERIALS SCIENCE↗

Selective Bidentate Coordination Reconstructs Residual PbI 2 to Homogenize Interfacial Energetics in Perovskite Solar Cells

Spatially heterogeneous interfacial energetics, often originating from residual lead iodide (PbI 2 ), represent a fundamental bottleneck to both the efficiency and operational stability of perovskite photovoltaics. Conventional PbI 2 passivation strategies based on monodentate ligands or highly polar solvents either interact weakly with PbI 2 or undesirably perturb the underlying three-dimensional perovskite lattice. Here, we report a diammonium bidentate strategy that selectively reconstructs residual PbI 2 into corner-sharing PbI 6 octahedra while preserving the bulk perovskite. Enabled by dual-site coordination, a newly designed thiophene-based bidentate ligand (MeXT) stabilizes PbI 6 units during passivation and establishes spatially homogeneous interfacial energetics. Perovskite solar cells incorporating MeXT achieve 26.19% power conversion efficiency and retain over 80% of their initial efficiency after 1000 h of continuous 1-sun illumination at 75 °C. This dual-anchor coordination passivation strategy establishes a general design principle for selectively treating residual PbI 2 and creating electronically coherent and operationally stable interfaces in perovskite photovoltaics.

ligands↗

Estimating the energy requirement for hydrogen production in proton exchange membrane electrolysis cells using rapid operando hydrogen crossover analysis

Hydrogen (H 2 ) crossover in proton exchange membrane water electrolyzers refers to the process by which hydrogen produced at the cathode traverses the membrane and mixes with the oxygen produced at the anode. This phenomenon reduces efficiency and may pose flammability hazards. In this work we present a method for quantifying the H 2 content of the anode exhaust gas using a gas chromatograph that is capable of sampling data every 2 min. Subsequent theory is presented to calculate the crossover flux, overall H 2 efficiency, and H 2 energy requirements. Results the effects of membrane thickness using Nafion TM N117 (178 um) and Nafion TM NR212 (51 um) membranes. Furthermore, it was found that thinner membranes lead to improved VI performance but exhibit higher crossover rates. Despite their increased crossover, leading to decreased hydrogen efficiency, the calculated required energy for NR212 membrane-electrode assemblies (MEAs) was significantly lower than that of N117 MEAs.

08 HYDROGEN↗

Technoeconomic optimization of superalloy supercritical CO 2 microtube shell-and-tube-heat exchangers

Heat exchangers are critical components of aerospace systems and improve efficiency of operation by providing waste heat recovery. Supercritical CO has emerged as a promising candidate working fluid due to its potential in increasing the power density of heat exchangers. In this paper, a generalized costing model is developed to estimate the capital costs incurred to manufacture microtube shell-and-tube heat exchangers. This model is utilized in conjunction with an accurate and efficient 2D numerical shell-and-tube heat exchanger performance prediction model to conduct optimization studies with two key objectives – minimization of cost and maximization of heat exchanger power density – on supercritical CO microtube heat exchangers utilizing superalloy Haynes 282 as the solid material. A methodology is then demonstrated to optimize these heat exchangers using Particle Swarm Optimization for aerospace applications and highly compact and cost-effective optimal designs with power density around 20 and cost per conductance less than 5 $ ∙ K/W are obtained.

42 ENGINEERING↗

Federal Water Management Planning Manual

This Federal Water Management Resource Guide provides direction to Federal agencies on how optimize water use at Federal facilities, use water balance analysis methods, identify design elements and procurement best practices, and expand use of alternative water. It provides best practices for managing water to be considered when developing or improving an effective facility water management program. PNNL developed this guide for the Federal Energy Management Program (FEMP). FEMP was directed by the Council on Environmental Quality (CEQ) to develop a Federal Water Management Resource Guide per the Implementing Instructions for Executive Order (E.O.) 13834, Efficient Federal Operations. This document serves to satisfy this requirement in order to provide best water management practices within the Federal Government.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Federal Water Management Planning Manual

This Federal Water Management Resource Guide provides direction to Federal agencies on how optimize water use at Federal facilities, use water balance analysis methods, identify design elements and procurement best practices, and expand use of alternative water. It provides best practices for managing water to be considered when developing or improving an effective facility water management program. PNNL developed this guide for the Federal Energy Management Program (FEMP). FEMP was directed by the Council on Environmental Quality (CEQ) to develop a Federal Water Management Resource Guide per the Implementing Instructions for Executive Order (E.O.) 13834, Efficient Federal Operations. This document serves to satisfy this requirement in order to provide best water management practices within the Federal Government.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Time-frequency based cyber security defense of wide-area control system for fast frequency reserve

Global power systems are transiting from conventional fossil fuel energy to renewable energies due to their environmental benefits. The increasing penetration of renewable energies presents challenges for power system operation. The efficiency and sufficiency of responsive reserves have become increasingly important for power systems with a high proportion of renewable energies. The Fast Frequency Reserve (FFR), especially the Wide-area Monitoring System (WAMS)-based FFR, is a promising and effective solution to secure and enhance the stability of power systems. However, cyber security has become a new challenge for the WAMS-based FFR system. Cyber attacks on the FFR control system may threaten the safety of power system operation due to the rapid power controllability requirement of FFR. Therefore, to address this problem, a time-frequency based cyber security defense framework is proposed to detect the cyber spoofing of synchrophasor data in WAMS-based FFR control systems. This paper first introduces the Continuous Wavelet Transforms (CWTs) to decompose spoofing signals. Then, the Dual-frequency Scale Convolutional Neural Networks (DSCNN) is proposed to identify the time-frequency domains matrix from two frequency scales. Integrating CWTs and DSCNN, an identification framework called CWTs-DSCNN is further proposed to detect the spoofing attacks in the WAMS-based FFR system. Multiple experiments using the actual data from FNET/GridEye are performed to verify the effectiveness of the framework in securing WAMS-based FFR systems.

25 ENERGY STORAGE↗

Development and Commercialization of Heavy-Duty Battery Electric Trucks Under Diverse Climate Conditions (DTNA EMG Innovation eCascadia 2.0 Final Technical Report)

During this project DTNA advanced heavy-duty transportation technologies to produce the eCascadia 2.0, a fully commercialized Class 7/8 electric tractor with the range and durability to meet the needs of 70% of freight movement in the United States. The eCascadia2.0 provides flexibility, operational performance, efficiency, and maintenance cost savings to the end user. The most direct outcome of this project is a commercially viable zero-emission heavy duty option with a 250-mile daily range and sufficient payload for regional haul duty cycles. The larger outcome is an acceleration of the market transformation away from petroleum-based fuels. DTNA’s comprehensive sales team, dealer network, customer network and maintenance and support teams will ensure that this is not a standalone zero-emission truck, but rather one that can be produced, marketed, and operated at scale to realize vast greenhouse gas and criteria pollutant emissions reductions, while also bringing zero emission vehicles closer to cost parity.

33 ADVANCED PROPULSION SYSTEMS↗

Particle-based high-temperature thermochemical energy storage reactors

Solar and other renewable energy driven gas-solid thermochemical energy storage (TCES) technology is a promising solution for the next generation energy storage systems due to its high operating temperature, efficient energy conversion, ultra-long storage duration, and potential high energy density. Experimental and theoretical studies suggest that the respective gravimetric and volumetric TCES energy storage densities vary from 200 to 3000 kJ kg –1 and 1–3 GJ m –3 . Solar radiation or heat generated from electric furnaces powered by renewable electricity can be stored in the form of chemical energy through endothermic reactions, while the stored chemical energy can be converted to thermal energy via an exothermic reaction when needed. The design of highly effective reactors requires a deep understanding of materials, thermodynamics, chemical kinetics, and transport phenomena. At time of writing, TCES reactors are yet to be deployed at commercially relevant scales, leaving a substantial gap between development efforts and commercial feasibility. Therefore, this review aims to examine the state-of-the-art design and performance of particle-based TCES reactors with different reactive materials. Fundamentals related to TCES reactive materials, reaction conditions, thermodynamics and kinetics, and transport phenomena are reviewed in detail to provide a comprehensive understanding of the reactor design and operation. Five major types of TCES reactors have been comprehensively reviewed and compared, including fixed, moving, rotary, fluidized, and entrained bed reactors. Most reported prototype reactors in the literature operate at lab scale with thermal inputs below 40 kW, and scaled TCES reactors (e.g., at megawatt level) are yet to be demonstrated. The nominal reactor operating temperatures range from 300 to 1500 °C, depending on the selected chemistry, reactive material, and heat sources. To evaluate their designs, the reactors are assessed in aspects of performance, cost, and durability. Discrepancies in performance indicators of energy storage density, extent of reaction, and various energy efficiencies are highlighted. The scale-up of reactors and power block integration, which hold the key to the successful commercialization of TCES systems, are critically analyzed. Furthermore, advanced materials (both reactive materials and ceramic reactor housing materials), effective particle flow control, advanced modeling tools, and novel system design may bring significant improvement to the energy efficiency, storage density and cost competitiveness of particle-based TCES reactors.

25 ENERGY STORAGE↗

A Modular Oxygen-Selective System for Combustion Systems

Small-scale modular systems for oxygen generation offer clear benefits, including improved energy efficiency, reduced operating costs, and the flexibility to meet location-specific needs. We propose that a compact modular system could be developed using a solvent-based method for capturing and releasing oxygen, enabling “oxygen on demand” for various combustion technologies. In this project, we aim to develop and demonstrate a modular oxygen-selective approach based on Battelle IPID 31740. The use of designer solvents, which are reversible, single-component solvents capable of dissolving and separating oxygen from air, offers the advantage of unlimited chemical tunability to achieve desirable properties for efficient oxygen separation. We filed U.S. Patent (32845-E, iEdison No. 0685901-23-0184).

36 MATERIALS SCIENCE↗

Conceptual Design Study of a Thermal Energy Storage System Using Granular Solids for Coal-fired Boilers

<span style="font-size: 12pt;">Presentation for the 2020 International Pittsburgh Coal Conference held virtually from September 8-11, 2020.</span><span style="font-size: 12pt;">Abstract: As electricity from various renewable energy sources is increasingly supplied to the power grid, the grid’s stability will be challenged. Proposed grid-stability solutions will need to address variability of sources, such as solar and wind energy, in order to alleviate problems such as overgeneration and ramping. In regions where increases in solar energy are prominent, such as California, the net power demand curve often referred to as “the Duck Curve,” has caused problems for energy dispatchers, due to over-generation and fast ramping demands. In this project, we investigated a conceptual design for a Thermal Energy Storage System (TESS) integrated into a coal-fired power plant to support grid-scale storage. Implementing a TESS into power plants can allow for an increase in renewable sources, increase grid resilience, and allow conventional coal-fired plants to operate more efficiently. For this project, a TESS using granular solids as the energy-storage media is integrated into a conventional coal-fired power plant. The purpose of the TESS is to store energy from the flue gas during low demand periods and transfer the energy to steam during peak demand periods. The storage allows the stabilization of combustion and related boiler components at low loads and provides the opportunity to avoid some shutdowns. This study uses thermodynamic properties of several candidate thermal storage materials to estimate the size of storage system required for several operating scenarios. </span>

Huckaby, E. David↗

Ionic liquids improve the long-term stability of perovskite solar cells

Achieving operational stability in halide perovskite solar cells remains a critical challenge for commercialization. Ionic liquids are promising bulk modifiers, yet their mechanistic role in perovskite crystallization is poorly understood. Here we engineered an ionic liquid, methoxyethoxymethyl-1-methylimidazole chloride (MEM-MIM-Cl), with an ethylene glycol ether side chain that regulates perovskite growth and stabilizes buried interfaces via synergistic interactions with NiO x . MEM-MIM-Cl induces a novel intermediate phase through chelation with undercoordinated Pb(II), suppressing defects and defect-induced degradation. Solar cells incorporating MEM-MIM-Cl achieved a power conversion efficiency of 25.9% and retained 90% of their initial performance after 1,500 h under continuous 1-sun illumination and 90 °C thermal stress—surpassing prior benchmarks under milder ageing conditions. Furthermore, diurnal cyclic ageing revealed unprecedented fatigue resistance, highlighting the dual role of MEM-MIM-Cl in simultaneously enhancing efficiency and operational resilience. In conclusion, this work elucidates design principles for functional ionic liquids while advancing perovskite photovoltaics towards industrial viability.

14 SOLAR ENERGY↗

Photoactivated p-Doping of Organic Interlayer Enables Efficient Perovskite/Silicon Tandem Solar Cells

Solution-processed organic semiconductor layers on rough surfaces tend to vary widely in thickness, significantly hindering charge extraction in relevant optoelectronic devices. Herein, we report the photoactivated p-doping of hole-transporting material (HTM) to enhance hole extraction for (textured) perovskite/silicon tandem solar cells, making the device performance less sensitive to the variation of hole transport layer thickness. We used the ionic compound 4-isopropyl-4'-methyldiphenyliodonium tetrakis(penta-fluorophenyl-borate) (DPI-TPFB) as a p-type dopant in poly(triaryl amine) (PTAA), which we used as the HTM. We observed that light soaking DPI-TPFB-doped PTAA shows approximately 22 times higher conductivity compared with an undoped PTAA film, which translated into an improved fill factor (FF) for tandem solar cells. Our tandem solar cells achieved an ~80% FF and 27.8% efficiency and operated at their maximum power point for 200 h without loss of performance, in addition to retaining ~83% of initial performance over a month of operation in an outdoor environment.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,S↗

Optimizing Energy Use in Pulp & Paper with DOE’s Energy Intensive Industries Resources

The U.S. pulp and paper industry is the third-largest energy consumer in manufacturing, accounting for roughly 10% of sector energy use. Improving energy efficiency reduces operating costs and strengthens competitiveness. To support this effort, the U.S. Department of Energy (DOE), through Oak Ridge National Laboratory (ORNL), launched the Energy Intensive Industries (EII) Initiative. A two-year pilot across 45 industrial sites identified more than 4 trillion Btu/year in potential energy savings. This presentation outlines plans for a follow-up technical assistance program tailored to pulp and paper mills. Available resources include a cost-savings scoping tool, implementation planning guidance, and technical support for applying advanced methods such as Pinch Analysis for integrated process-utilities optimization. The session introduces key Pinch Analysis principles and highlights case studies demonstrating measurable improvements. ORNL also seeks industry feedback on barriers to efficiency improvements, including technology gaps and resource needs. DOE’s broader objective is to accelerate productivity and economic competitiveness across U.S. energy-intensive industries.

Kamath, Dipti [ORNL] (ORCID:0000000278739994)↗

Evaluation of a deuterated detector for gamma-ray beam intensity measurements

Laser-Compton scattering sources of quasi-monochromatic γ-ray beams have been in operation for over 30 years, with new facilities being under construction or proposed. To sustain a high-quality experimental physics program, continuous monitoring of these beams is essential by measuring the spectral, temporal, and spatial characteristics. In this work, we introduce a new method for determining the γ-ray beam intensity by using photodisintegration of deuterons in an active target detector approach. Measurements were performed using deuterated liquid scintillator detectors at several incident gamma energies between 4 and 13 MeV at the High Intensity γ-ray Source, Durham, USA. The results demonstrate that an instrument based on a deuterated active detector can be used to monitor the intensity of the γ-ray beam with high efficiency and operational simplicity.

Compton scattering↗

Better Buildings Workforce Accelerator – Technical Assistance Project: Northwest Energy Efficiency Council – A Replicable Analysis for Building Operator Certification Diversity, Equity, and Inclusion Objectives

The Northwest Energy Efficiency Council (NEEC) requested technical assistance through the U.S. Department of Energy (DOE) Better Buildings Workforce Accelerator (BBWA) program, with the objective of developing a replicable analytical approach to understanding Building Operator Certification (BOC) program participants and measure progress towards diversity, equity, and inclusion objectives. The technical assistance advances NEEC’s progress towards their goal of recruiting more diverse students to the BOC training and certification program. This report develops a replicable geospatial analysis of BOC program participants based on DEI indicators that can be applied at a national level, provides a step-by-step guide on repeating and updating the analysis, and presents recommendations for future data collection and analysis.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Strategies for microgrid operation under real-world conditions

Microgrids are an increasingly relevant technology for integrating renewable energy sources into electricity systems. Based on a microgrid implementation in California, in this study we investigate microgrid operation under real-world conditions. These conditions have not yet been considered in combination and encompass energy charges, demand charges, export limits, as well as uncertainty about future electricity demand and generation in the microgrid. Under these conditions, we evaluate the performance of two frequently applied groups of strategies for microgrid operation. The first group is composed of proactive strategies that optimize decisions based on forecasts of future electricity generation and demand. The second group includes reactive strategies that make operational decisions based exclusively on the current state of the microgrid. We evaluate the performance of the strategies under varying operational parameters, forecast accuracies, and microgrid configurations—well beyond our Californian showcase. Our results confirm the expectation that proactive strategies outperform reactive ones in the majority of settings. Yet, reactive strategies can perform better under short control intervals or under moderate prediction errors of PV generation or demand. Furthermore, the interplay between real-world conditions and operational strategies reveals several additional insights for research on microgrid operation. First, we find that demand charges and export limits decisively affect microgrid performance. Second, the impact of forecast errors is highly non-linear and non-monotonous. Third, escalating negative interactions between forecast errors and demand charges make proactive strategies benefit from longer control intervals. This result is contrary to existing best practice, which promotes short control intervals to minimize the impact of uncertainty.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advancing quantum simulations of the nuclear shell model with Gray-code–based resource-efficient protocols

Background: Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei are one such case with high demand for resources, as the size of the Hilbert space grows exponentially with the number of particles involved. Quantum algorithms are being developed to overcome these challenges and advance such calculations. Purpose: To develop quantum circuits for the nuclear shell-model, leveraging the capabilities of noisy intermediate-scale quantum (NISQ) devices. Here, we aim to minimize resource requirements (specifically in terms of qubits and gates) and strive to reduce the impact of noise by employing relevant mitigation techniques. Methods: We achieve noise resilience by designing an optimized Ansatz for the variational quantum eigensolver (VQE) based on Givens rotations and incorporating qubit-ADAPT-VQE in combination with variational quantum deflation (VQD) to compute ground and excited states, incorporating the zero-noise extrapolation mitigation technique. Furthermore, the qubit requirements are significantly reduced by mapping the basis states to qubits using Gray-code encoding and generalizing transformations of fermionic operators to efficiently represent many-body states. Results: By employing the resource-efficient protocols, we achieve the ground and excited state energy levels of 38 Ar and 6 Li with better accuracy. These energy levels are presented for noiseless simulations, noisy conditions, and after applying noise mitigation techniques. Results are compared for Jordan-Wigner and Gray-code encoding using VQE, qubit-ADAPT-VQE, and VQD. Conclusions: Our work highlights the potential of resource-efficient protocols to leverage the full potential of NISQ devices in scaling the nuclear shell model calculations, offering a pathway toward more complex quantum simulations in nuclear physics. This approach establishes a framework for studying other nuclear systems with improved quantum resource efficiency, marking a significant advancement in applying quantum computing to realistic nuclear physics applications.

Physics - Nuclear physics and radiation physics↗