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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 1,009 records · Page 56

Power Electronics for Electrolyzer Applications to Enable Grid Services

The Power Electronics for Electrolyzer Applications to Enable Grid Services project aims to develop smart converter for dedicated electrolyzer applications to enable grid services via standardization of control interfaces between hydrogen electrolyzer system low-level controls and power converter controls. The project provides additional revenue source for electrolyzer through participation in grid services and reduces the cost of deployment and controls integration through standardization and risk due to supply-chain issues. It also enables the adoption of green hydrogen via standardizing the integration of energy storage, renewables, and distributed energy resources. Furthermore, the work provides a controlled validation environment to evaluate scalable integration solution for hydrogen production technologies, improves overall reliability and maintainability of the electrolyzer system for grid applications, and directly contributes to DOE HFTO's "Hydrogen Shot" goal.

energy transitions↗

Lessons Learned from the Clean Energy to Communities (C2C) Peer-Learning Cohort on Planning and Funding for Electric Vehicle Charging Infrastructure Deployment

From June to December 2023, the U.S. Department of Energy (DOE) National Renewable Energy Laboratory (NREL) partnered with World Resources Institute (WRI) to run a peer-learning cohort for local governments on Planning and Funding for Electric Vehicle Charging Infrastructure Deployment. This cohort effort, funded by DOE's Clean Energy to Communities Program, paired 15 local and regional governments with Clean Cities and Communities coalitions to translate cohort learnings to local context and conduct activities that brought participants closer developing of public electric vehicle charging infrastructure plans. This document shares key takeaways, lessons learned, and resources from the six-month cohort.

ADVANCED PROPULSION SYSTEMS↗

Structure of the chromosphere-corona transition region.

The structure and energy balance of the chromosphere-corona transition region is investigated by means of a static, planar model which is compared with the results of XUV-resonance-line observations. In this model, the transition region is heated by thermal conduction from the corona and cooled by radiative losses. Comparison of the model with observational results implies that this is the dominant process in the energy balance of the transition region, and that the base of the transition region is inherently nonstatic and/or nonplanar. The model explains the observational finding of Noyes et al. (1970) that the number density and the downward heat flux both increase by the same factor from quiet regions to active regions.

Moore, R. L.↗

Particle–hole asymmetry and quantum confinement effects on the magneto-optical response of topological insulator thin-films

Intrinsically broken symmetries in the bulk of topological insulators (TIs) are manifested in their surface states. Despite particle–hole asymmetry in TIs, it has often been assumed that their surface states are characterized by a particle–hole symmetric Dirac energy dispersion. In this work, we demonstrate that the effect of particle–hole asymmetry is essential to correctly describe the energy spectrum and the magneto-optical response in TIs thin-films. In thin-films of TIs with a substantial degree of particle–hole symmetry breaking, such as Sb 2 Te 3 , the longitudinal optical conductivity displays absorption peaks arising from optical transitions between bulk and surface Landau levels for low photon energies. The transition energies between the bulk and surface Landau levels exhibit clearly discernable signatures from those between surface Landau levels due to their distinct magnetic field dependence. Furthermore, bulk contributions to the magneto-optical conductivity in a TI thin-film are enhanced via one type of doping while being suppressed by the other. This asymmetric dependence on the type of doping aids in revealing the particle–hole asymmetry in TI thin-films.

36 MATERIALS SCIENCE↗

Urban Energy and Climate: Prospects for a Sustainable Transition

With the continuous migration of people towards metropolitan areas in search of employment, the demands for core services and energy, coupled with an increasing awareness of the impact of climate change, have placed the management and planning of global urban energy under a lot of pressure. Trends toward urban energy service transformations that offer greater affordability, reliability, efficiency and adaptability provide hope for a global sustainable future. At the same time, there are also limits to these transitions, as well as risks involved. For example, on one end of the spectrum, our urban energy future includes land use sprawl, high fossil fuel use, pollution, and unhealthy urban conditions. On the other side of this transition spectrum is more energy choices, and healthier, more livable cities, along with less energy use and fewer greenhouse gas emissions. What the future might hold for transforming the world's cities depends upon an understanding of the risks of current trajectories and the opportunities for and limitations to developing sustainable urban energy systems. This edited volume brings together leading experts on the prospects and challenges of urban energy innovation and on related-economic, social and environmental sustainability transitions. The focus of the volume is on multidisciplinary reviews, research informing technologies and policies for sustainability, and analytical insights addressing rapid urbanization and changes across a diverse typology of global cities. The volume will include an overview of the current state of urban energy systems. It will also document and evaluate urban energy prospects for a sustainable, resilient future.

drivers of change↗

Agile Research and Technology Transitions (ARTT)

The Energy and Environment Directorate (EED) supports an extensive portfolio of strategic Laboratory Directed Research and Development (LDRD) research through its SEED, strategic, Agile and Initiative programs. Of paramount importance is the relevance of these investments to the long-term objectives of our various Department of Energy (DOE) programmatic sponsors. This LDRD project seeks to maximize impact to our sponsors by providing an agile funding approach to develop/enhance DOE relevant technologies in an accelerated and responsive manner to emerging and adjacent technical challenges. Staff will propose small development activities to be carried out under the overall Agile Research and Technology Transitions project.

99 GENERAL AND MISCELLANEOUS↗

High-dimensional Data-driven Energy optimization for Multi-Modal Transit Agencies (HD-EMMA) (Final Technical Report)

Public bus transit services in the U.S. are responsible for at least 19.7 million metric tons of CO 2 emission annually. Electric vehicles (EVs) can have a much lower environmental impact than comparable internal combustion engine vehicles (ICEVs), especially in urban areas. Unfortunately, EVs are also much more expensive than ICEVs. As a result, many public transit agencies can afford only mixed fleets of transit vehicles, consisting of EVs, hybrids (HEVs), and ICEVs. Transit agencies that operate such mixed fleets of vehicles face a challenging optimization problem: these agencies need to decide which vehicles are assigned to serving which transit trips. Since the advantage of EVs over ICEVs varies depending on the route and time of day (e.g., the benefit of EVs is higher in slower traffic with frequent stops and lower on highways), the assignment can have a significant effect on energy use and, hence, environmental impact. Through this project, we have developed reference data about energy collections and constructed a set of machine learning models that can accurately predict the energy consumption for the whole fleet at the level of each trip. We have used these models to develop a scheduling and assignment strategy that can rotate the different vehicle types across the transit agencies’ routes. The optimization algorithm ensures that the vehicles are matched to trips considering weather patterns, expected congestion, and road gradients to minimize the overall energy usage. We list the key observations from our project for other practitioners below. Details are available in the report, and the list of source code and our publications are included in the appendix. 1. We have demonstrated the feasibility of collecting, merging and analyzing large volumes of high-resolution real-world telemetry data from a mixed vehicle fleet. To mitigate the inherent noise of the recorded GPS points, the team developed an algorithm that filters data and maps the points onto a street. The algorithm considers previous and subsequent location measurements and different characteristics of nearby streets to determine how likely the vehicle travels on them. Then, the team segmented the time series into disjoint contiguous samples based on adjacent road segments and repeated the outlier detection and removal. For each data point, the team added features corresponding to elevation changes within the samples, weather features, such as temperature, and traffic data, such as speed ratio between actual speed and free-flow speed. 2. We have developed two forms of machine learning models that be used to understand and analyze the energy operations of a mixed vehicle transit fleet. The micro prediction model provides estimates of instantaneous energy prediction for all types of buses (diesel, hybrid, and electric). Such a model is important in evaluating the energy impacts of real-time bus operation strategies, but it is challenging due to diversified driving cycles of transit buses. The model can help the drivers understand the impact of their driving behaviors and short-term congestions. The macro prediction models estimate average energy consumption across the whole trip considering the features: distance traveled, various road-type features, elevation change, day of the week, time of day, various weather features (temperature, humidity, etc.), and traffic features (speed ratio and jam factor). 3. We have demonstrated that it is possible to transfer the machine learning models we have developed in this project to other teams and cities by using inductive transfer learning. We also showed that the performance of the macro energy prediction models can be improved using a multi-task learning approach where the learning parameters are shared between the models being developed for different vehicle types. The advantage of this approach is improved learning performance as the models can exploit common spatio-temporal and environmental characteristics. 4. Finally, we have developed trip and vehicle assignment and scheduling algorithms that use the energy prediction models and develop a trip to vehicle type (diesel, electric, hybrid) assignment for the whole operation to reduce overall emissions and cost. We have shown through simulations that the proposed algorithms can save $\$$ 48,910 in energy costs and 175 metric tons of CO 2 emission annually for CARTA.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Comparing net zero pathways across the Atlantic A model inter-comparison exercise between the Energy Modeling Forum 37 and the European Climate and Energy Modeling Forum

Europe and North America account for 32 % of current carbon emissions. Due to distinct legacy systems, energy infrastructure, socioeconomic development, and energy resource endowment, both regions have different policy and technological pathways to reach net zero by the mid-century. Against this background, our paper examines the results from the net zero emission scenarios for Europe and North America that emerged from the collaboration of the European and American Energy Modeling Forums. Here, in our analysis, we perform an inter-comparison of various integrated assessments and bottom-up energy system models. A clear qualitative consensus emerges on five main points. First, Europe and the United States reach net zero targets with electrification, demand-side reductions, and carbon capture and sequestration technologies. Second, the use of carbon capture and sequestration is more predominant in the United States due to a steeper decarbonization schedule. Third, the buildings sector is the easiest to electrify in both regions. Fourth, the industrial sector is the hardest to electrify in the United States and transportation in Europe. Fifth, in both regions, the transition in the energy mix is driven by the substitution of coal and natural gas with solar and wind, but to a different extent.

100 % renewables↗

Energy-valley-dependent charge transfer in few-layer transition metal dichalcogenide heterostructures

The effect of the energy valley on interlayer charge transfer in transition metal dichalcogenide (TMD) heterostructures is studied by transient absorption spectroscopy and density functional theory. First-principles calculations confirm that the Λ min valley in the conduction band of few-layer WSe 2 evolves from above its K valley in the monolayer (1L) to below it in 4L. Heterostructure samples of nL–WSe 2 /1L–MoS 2 , where n = 1,2,3, and 4, are obtained by mechanical exfoliation and dry transfer. Photoluminescence spectroscopy reveals a thickness-dependent WSe 2 band structure and efficient interlayer charge transfer. Transient absorption measurements show that the electron transfer time from the Λ min valley of 4L WSe 2 to the K valley of MoS 2 is on the order of 30 ps. This process is much slower than the K-K charge transfer in 1L/1L TMD heterostructures. Furthermore, the momentum-indirect interlayer excitons formed after charge transfer have lifetimes >1 ns.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Artificial Intelligence-Driven Management of Sustainable Energy Resources: Visibility, Operation, and Control

The rapid global transition toward sustainable energy resources (SERs) is reshaping how modern power systems are observed, optimized, and controlled. While SERs have significantly advanced decarbonization, their weather dependence, variability, and inverter-dominated characteristics challenge traditional, centralized, and deterministic grid operation. At the same time, the proliferation of high-resolution data from inverters, smart meters, and sensors offers unprecedented visibility into system dynamics. Yet, it also exceeds the analytical capability of conventional model-based approaches. Artificial intelligence (AI) provides a new foundation for addressing these challenges by bridging physical laws with data-driven learning, enabling accurate state awareness, adaptive operation, and coordinated control across distributed assets. This article examines how AI transforms the management of SER-rich power systems along three critical dimensions: 1) enhancing visibility by inferring behind-the-meter (BTM) activities, assessing SER flexibility, and reconstructing system states from sparse or noisy measurements; 2) improving operation through AI-enhanced SER service provision, volt/var control (VVC), and dynamic operating envelopes (DOE) for efficiency and security; and 3) advancing control by embedding learning-based intelligence into inverter coordination, voltage and frequency regulation, and long-term dispatch. Together, these developments reveal how AI can convert the variability of SERs from an operational challenge into a source of flexibility, resilience, and intelligence, paving the way toward sustainable, adaptive, and self-optimizing power systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Environmental risks and opportunities of orphaned oil and gas wells in the United States

Abstract Hundreds of thousands of documented and undocumented orphaned oil and gas wells exist in the United States (U.S.). These wells have the potential to contaminate water supplies, degrade ecosystems, and emit methane and other air pollutants. Thus, orphaned wells present risks to climate stability and to environmental and human health, which can be reduced by plugging. To quantify environmental risks and opportunities of well plugging at the national level, we analyze data on 81 857 documented orphaned wells across the U.S. We find that > 4.6 million people live within 1 km of a documented orphaned well. 35% of the documented orphaned wells are located within 1 km of a domestic groundwater well, yet only 8% of the wells have groundwater quality data within a 1 km radius. Methane emissions from the documented orphaned wells represent approximately 3%–6% of total U.S. methane emissions from abandoned oil and gas wells, but this estimate is based on measurements at < 0.03% of U.S. abandoned wells. 91% of the documented orphaned wells overlie formations favorable for geologic storage of carbon dioxide and hydrogen, meaning that orphaned well plugging can reduce leakage risks from future storage projects. Finally, we estimate plugging costs for documented orphaned wells to exceed the $4.7 billion federal funding by 30%–80%, emphasizing the importance of prioritizing federal spending on wells with large remediation benefits. Overall, environmental monitoring data are not extensive enough to quantify risks, especially those related to air and water quality and human health. Plugging orphaned wells can provide opportunities for geologic storage of carbon dioxide and hydrogen and geothermal energy development, thereby facilitating efforts to transition to net-zero energy systems. Our analysis on environmental risks and opportunities of orphaned wells provides a framework that can be used to manage the millions of documented and undocumented orphaned wells in the U.S. and abroad.

54 ENVIRONMENTAL SCIENCES↗

Experimental electron energy-loss spectra and cross sections for the 4/2/S - 4/2/P transition in Zn II

Electron energy-loss spectra and differential cross sections are reported for inelastic scattering from Zn II. Measurements were carried out in a crossed electron beam-ion beam apparatus, at incident electron energies of 30, 40, 50, 60, 75, 85, and 100 eV, and at a scattering angle of 14 deg. The present results are the first reported measurements of inelastic electron scattering from an ion.

Chutjian, A.↗

Detection of Ketenimine (CH2CNH) in SGRB2(N) Hot Cores

Ketenimine (CH2CNH) has been detected in absorption toward the starforming region Sagittarius B2(N) with the 100-m Green Bank Telescope (GBT) by means of three rotational transitions: 7(sub 16)-8(sub 08) at 41.5 GHz, 8(sub 19)-9(sub 09), at 23.2 GHz, and 9(sub 18)-10(sub 0,10) at 4.9 GHz. Ketenimine has a sparse rotational spectrum below 50 GHz. From transition line strength arguments, the spectral lines found are the ones most likely to be detected and occur in spectral regions that have little possibility of confusion with other molecular species. Partially resolved hyperfine structure is apparent in the 4.9 GHz transition which has energy levels approximately 50 K above ground state level; the absorption seen in this transition appears to be emanating from gas in close proximity to the LMH hot core that has a systemic LSR velocity of +64 kilometers per second. By comparison, the 41.5 GHz and 23.2 GHz transitions have lower energy levels of approximately 33 K and approximately 41 K, respectively; and show absorption against the two star-forming SgrB2(N) hot cores with systematic LSR velocities of +64 (the LMH) and +82 kilometers per second. These ketenimine data show that the hot core at +82 kilometers per second is cooler than the hot core at +64 kilometers per second. Ketenimine is likely formed directly from its isomer methyl cyanide (CH3CN) by tautomerization driven by shocks that pervade the star-forming region.

Lovas, F. J.↗

Alternating Direct Current (ADC) - A New Form of Efficient Energy Transmission for Renewable Sources

The prevailing means of electricity transmission through Direct Current (DC) and Alternating Current (AC) have limitations with the ongoing transition to renewable energy sources. In this paper, we discuss a new form of energy transmission, known as alternating direct current (ADC) that would provide significant savings in energy consumption and simultaneously allow efficient utilization of generated energy from renewable sources. This has become possible due to substantial advances in electronics and optoelectronics technologies since the days of Nicholas Tesla and Thomas Edison. Recent efforts of implementing the proposed ADC technology in relevant environments have demonstrated significant energy savings and opened a new paradigm that has the potential to provide an efficient and cost-effective pathway for transition to renewable energy sources even with the existing grid infrastructure. The DC power utilization initiated by Thomas Edison can be stored in battery arrangement but suffers from line loss and hence is not efficient for long-distance transmission. However, AC power developed by Nicholas Tesla cannot be stored efficiently but can be transmitted over long distances due to significantly lower line losses. Currently, AC power is the global foundational energy transmission methodology used because of events that took place over 135 years ago involving Edison, Tesla, and Westinghouse, and since AC power can transmit long distances from power plants to end users efficiently and economically. Approximately 50 years ago, the introduction of semiconductors in commercialized electronic devices and products changed the way people consume electricity. Also, over the years, the expanding adaptation of nonlinear loads has adversely affected the grid stability and hence the utility infrastructures worldwide.

AC↗

Measurements of the spectrum and energy dependence of X-ray transition radiation

The results of experiments designed to test the theory of X-ray transition radiation and to verify the predicted dependence of the characteristic features of the radiation on the radiator dimensions are presented. The X-ray frequency spectrum produced by 5- to 9-GeV electrons over the range 4 to 30 keV was measured with a calibrated single-crystal Bragg spectrometer, and at frequencies up to 100 keV with an NaI scintillator. The interference pattern in the spectrum and the hardening of the radiation with increasing foil thickness are clearly observed. The energy dependence of the total transition-radiation intensity was studied using a radiator with large dimensions designed to yield energy-dependent signals at very high particle energies, up to E/mc-squared approximately equal to 100,000. The results are in good agreement with the theoretical predictions.

Cherry, M. L.↗

Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations

While dark transitions made bright by molecular motions determine the optoelectronic properties of many materials, simulating such non-Condon effects in condensed phase spectroscopy remains a fundamental challenge. We derive a Gaussian theory to predict and analyze condensed phase optical spectra beyond the Condon limit. Our theory introduces novel quantities that encode how nuclear motions modulate the energy gap and transition dipole of electronic transitions in the form of spectral densities. By formulating the theory through a statistical framework of thermal averages and fluctuations, we circumvent the limitations of widely used microscopically harmonic theories, allowing us to tackle systems with generally anharmonic atomistic interactions and non-Condon fluctuations of arbitrary strength. We show how to calculate these spectral densities using first-principles simulations, capturing realistic molecular interactions and incorporating finite-temperature, disorder, and dynamical effects. Our theory accurately predicts the spectra of systems known to exhibit strong non-Condon effects (phenolate in various solvents) and reveals distinct mechanisms for electronic peak splitting: timescale separation of modes that tune non-Condon effects and spectral interference from correlated energy gap and transition dipole fluctuations. We further introduce analysis tools to identify how intramolecular vibrations, solute–solvent interactions, and environmental polarization effects impact dark transitions. Moreover, we prove an upper bound on the strength of cross correlated energy gap and transition dipole fluctuations, thereby elucidating a simple condition that a system must follow for our theory to accurately predict its spectrum.

Chemistry↗

A Combined DFT, Energy Decomposition, and Data Analysis Approach to Investigate the Relationship Between Noncovalent Interactions and Selectivity in a Flexible DABCOnium/Chiral Anion Catalyst System

Developing strategies to study reactivity and selectivity in flexible catalyst systems has become an important topic of research. Herein, we report a combined experimental and computational study aimed at understanding the mechanistic role of an achiral DABCOnium cofactor in a regio- and enantiodivergent bromocyclization reaction. In this study, it was found that electron-deficient aryl substituents enable rigidified transition states via an anion–π interaction with the catalyst, which drives the selectivity of the reaction. In contrast, electron-rich aryl groups on the DABCOnium result in significantly more flexible transition states, where interactions between the catalyst and substrate are more important. An analysis of not only the lowest-energy transition state structures but also an ensemble of low-energy transition state conformers via energy decomposition analysis and machine learning was crucial to revealing the dominant noncovalent interactions responsible for observed changes in selectivity in this flexible system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optical Characterization and 2,525 micron Lasing of Cr(2+):Cd(0.85)Mn(0.15)Te

Transition metal doped solids are of significant current interest for the development of tunable solid-state lasers for the near and mid-infrared (1-4 pm) spectral region. Applications of these lasers include basic research in atomic, molecular, and solid-state physics, optical communication, medicine, and environmental studies of the atmosphere. In transition metal based laser materials, absorption and emission of light arises from electronic transitions between crystal field split energy levels of 3d transition metal ions. The optical spectra generally exhibit broad bands due to the strong interaction between dopant and host (electron-phonon coupling). Broad emission bands offer the prospect of tunable laser activity over a wide wavelength range, e.g. the tuning range of Ti:Sapphire extends from 700-1100 run. The only current transition metal laser operating in the mid-infrared wavelength region (1.8-2.4 micro-m) is CO(2+):MgF2, but its performance is severely limited due to strong nonradiative decay at room temperature. Based on lifetime data, the quantum efficiency is estimated to be less than 3 deg/0 11,21. In general, the probability for non-radiative decay via multi-phonon relaxation increases with decreasing energy gap between ground and excited state. Therefore, efficient transition metal lasers beyond -1.6 micro-m are rare. Recently, tunable laser activity around 2.3 micro-m was observed from Cr doped ZnS and ZnSe. The new lasing center in these materials was identified as Cr(2+) occupying the tetrahedral Zn site. Tetrahedrally coordinated optical centers are rather unusual among transition metal lasers. Their potential usefulness, however, has been demonstrated by the recent development of near infrared laser materials such as Cr:forsterite and Cr:YAG, which are based on tetrahedrally coordinated Cr(4+) ions. According to the Laporte selection rule, electric-dipole transition within the optically active 3d-electron shells are parity forbidden. However, a static acentric electric crystal field or the coupling of asymmetric phonons can force electric-dipole transitions by the admixture of wave functions with opposite parity. Tetrahedral sites lack inversion symmetry which provides the odd-parity field necessary to relax the parity selection rule. Therefore, high absorption and emission cross sections are observed. An enhanced radiative emission rate is also expected to reduce the detrimental effect of non-radiative decay. Motivated by the initial results on Cr doped ZnS and ZnSe, we have started a comprehensive effort to study Cr(2+) doped II-VI semiconductors for solid-state laser applications. In this paper we present the optical properties and the demonstration of mid-infrared lasing from Cr doped Cd(0.85)Mn(0.15)Te.

Davis, V. R.↗