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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

Porous Organic Cage Membranes for Molecular Gas Separations (Final Technical Report for DE-SC0021357)

This proposal aims at demonstrating the development of a novel family of membranes, composed of porous organic cages (POC) which offer the possibility of displaying high separation performance for challenging molecular gas separations relevant to natural gas purification, and olefin/paraffin separation. The proposed POCs synthesized in membrane form will display the most desirable properties of polymers (facile processability and flexibility) and inorganic materials (hierarchically ordered pores with molecular sieving properties) leading to highly selective and permeable membranes. POCs should display distinctive structural, compositional, adsorption and transport properties than those of conventional porous materials, opening the doors for a new research direction in membrane science, and gas separations. Our preliminary results demonstrate the feasibility of preparing POC crystals with controlled size, and continuous POC membranes with remarkable high permeances, and separation ability for CO 2 /CH 4 , N 2 /CH 4 and C 3 H 6 /C 3 H 8 separations serving as a solid foundation for our proposed work. Fundamentally, this proposal aims at elucidating separation mechanisms of different gas mixtures related to natural gas composition, and olefin/paraffin separation over porous organic cage membranes. The proposed research will result in fundamental understanding of adsorption and transport properties of industrially relevant gas molecules through novel microporous membranes, and may lead to the development of a cost effective membrane technology for natural gas purification, and olefin/paraffin separation surpassing the conventional benchmark technology distillation. Furthermore, we aim at demonstrating selective water transport through POC membranes, which can be positively impactful in numerous industrial applications in which water is present. The ability to fabricate thin, chemically and mechanically stable POC membranes for societal relevant gas separations constitute a new and distinctive direction in membrane science. Our proposed work aims at addressing some of the challenges recognized in the Research Agenda for Transforming Separation Science . Specifically: (a) advancing understanding of complex mixtures on separation performance; (b) exploring thermodynamic and kinetic mechanisms through the elucidation of separation mechanisms, and (c) study potential stability issues of the membranes to be assessed by evaluating the long term membrane stability and performance at various temperatures and pressures. The team is uniquely qualified to execute the proposed work. The PI has solid expertise in the rational molecular engineering design of porous crystalline membranes for molecular gas separations. The PNNL collaborator has extensive experience in the synthesis, characterization, and functional applications of microporous crystals, with particular emphasis on gas adsorption.

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

DOE Support for the 8th International Conference on Attosecond Science (Final Technical Report)

The 8th International Conference on Attosecond Science and Technology (ATTO VIII) was held on the campus of the University of Central Florida in Orlando, FL from July 10-16, 2022. The main objectives of the conference were (i) to outline the state of the art of attosecond research; (ii) to jump-start national and international collaborations that had been hindered by the pandemic; (iii) to promote recruiting and training of postdocs and tenure-track candidates; and (iv) to consolidate the global and diverse identity of the attosecond community.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Orbital-Free Quantum Simulation Methods for Application to Warm Dense Matter (Final Technical Report)

Predictive simulations for prediction of condensed system behavior in state conditions far from ambient is increasingly crucial to DOE priorities. Warm dense matter (WDM) is the paradigm: temperature T > 1-15 eV, pressures P to 1 Mbar or greater. Experiments under such state conditions are difficult and costly. We summarize work driven by the need and opportunity to make free-energy density functional theory (DFT) as powerful a tool for ab initio simulation of matter under such extreme conditions as ground state DFT is for ordinary matter Advancing orbital-free DFT (OF-DFT) to eliminate the Kohn-Sham (KS) scaling bottleneck in such simulations is the other priority. The concurrent challenge for both goals is the intrinsic complexity of WDM. We summarize 15 years of successes and major progress on (1) free energy exchange-correlation functionals; (2) non-interacting free energy functionals (counterpart to T=0 Kohn-Sham kinetic energy density functionals); (3) rigorous results and constraints for free-energy DFT; (4) software for free energy DFT calculations in both conventional Kohn-Sham and OF-DFT form; (5) de-orbitalization of advanced orbital-dependent ground state functionals for use in OF-DFT; (6) demonstration calculations; (7) ancillary achievements (e.g. major review articles, secondary explorations motivated by primary goals).

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tokamak Disruption Simulation (Final Technical Report)

This was a multi-institutional project concerned with simulation of tokamak disruption – rapid termination of the plasma and confining magnetic field in a tokamak fusion reactor – with the aim of quantifying the physics associated with disruption mitigation. The PI’s role is as one of a group of computational scientists concerned with development of effective solution algorithms for the underlying models of magnetohydrodynamics and transport that represent the physical processes, and to develop techniques of uncertainty quantification for treating unknown aspects of the model such as boundary conditions and effects of impurities in plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Metal-Organic Frameworks: Structure, Function and Design via Hyperpolarized NMR Spectroscopy: Collaborative Proposal (Final Technical Report)

Nuclear magnetic resonance is a powerful tool to shed light on the properties of a vast range of materials but its use is affected by detection sensitivity. Throughout this work, we investigated new routes to dynamic nuclear spin polarization with an eye on applications to the study of metal-organic frameworks (MOFs). Work at the Meriles group focused on extending our understanding of the mechanisms governing the optical generation of spin order via photo-active electronic spin species and the subsequent transfer of spin polarization throughout the solid-state host.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Deep Image Prior Enabled Full Waveform Inversion (Final Technical Report)

MS Student Naveen Gupta worked on the problem of full waveform inversion (FWI) using neural networks as shown in Figure 1. Our goal was to learn a neural network to represent the subsurface velocity model, which when fed into the FWI module (implemented using a numerical forward model of wave equations) produces amplitude estimates that match with ground-truth observations of amplitude. We used neural networks to solve the inverse problem of estimating velocity distributions for a given seismic amplitude data such that, once trained, our neural network model can generate a distribution of velocity profiles for different random vectors fed as inputs to the neural network model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Electromagnetic Inhomogeneous-Energy-Density-Driven Instability in the UCLA Large Plasma Device (EM-IEDDI in LAPD) (Final Technical Report)

Using the Large Plasma Device (LAPD), the electromagnetic signatures associated with the inhomogeneous-energy-density-driven (IEDD) instability were targeted for documentation in a lab experiment. Exploitable features of LAPD are the extreme-length, high-beta, low-collisionality, and excellent reproducibility. The signatures of interest were mode amplitude, mode structure, frequency spectrum, phase velocity, and excitation threshold. The abrupt inhomogeneity at the interface between two coaxial plasma columns, that have disparate space potential values, were expected to generate a strong, localized, transverse, dc electric field and form a strong ExB-flow inhomogeneity that was expected to trigger broadband, intermediate-frequency waves that propagate many gyroradii beyond the interfacial source region. WVU was unable to destabilize the IEDDI mode in LAPD. Experimental limitation of three different parameters conspire to prevent IEDDI-favorable conditions even though Alfven-favorable conditions are met. Electron-neutral collision frequency is too high, Structuring of the radial profile of the radial electric field is negligible and the control of that structure is minimal, and the Magnetic field is too large for some purposes and too small for other purposes. WVU designed a new antenna and relied on externally-driving the IEDDI (instead of spontaneous destabilization). The antenna operation failed for unforeseen reasons and lack of electrician time and availability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Program Generators for Exascale and Beyond (Final Technical Report)

The major goals of this project were to devise programming models and supporting tools that simplify the construction of specialized high‐performance generators, leading to improvements over the state of the art along the various dimensions of portability, performance, and productivity. In particular, the project achieved these goals by focusing on domain‐specific languages (DSLs) as intermediate layers in a translation and optimization framework, on composability of program generators, on re‐targeting legacy code, and on fundamental methodologies such as stage polymorphism or "generic programming in time".

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Kokes Awards for the 28th North American Meeting (Final Technical Report)

The purpose of the Richard. J. Kokes Travel Award program is to recognize and provide financial support for students to attend and participate in North American Catalysis Society national meetings. The Department of Energy through the Catalysis Science program provided funds which supported 26 students from US institutions to attend the 28NAMS meeting which was held in Providence RI in 18-23 June 2023.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Supporting Growth of a Skilled Workforce in the Building Energy Efficiency Industry (Final Technical Report)

The Interstate Renewable Energy Council (IREC), having worked for well over a decade to develop national networks and best practices focused on attracting and training high quality workers for the clean energy industries, sought to address shortfalls in skilled workers who build, retrofit, operate, and maintain energy efficient buildings. Through this project, IREC created and promoted a Green Buildings Career Map (GBCM)—a career awareness and recruitment tool—that seeks to boost the nationwide growth of workers entering the energy efficiency (EE) industry. Working with a team of subject matter experts and our partner organizations—Building Performance Association (BPA), Building Performance Institute (BPI), Community Action Partnership (CAP), and the National Institute of Building Sciences (NIBS)—IREC produced an interactive, engaging career map to attract and motivate individuals into pursuing careers in energy efficiency, and in support of the Weatherization Assistance Program. The GBCM was designed for a broad audience including educators, career advisors, employers, policymakers, workforce professionals, and jobseekers who may otherwise have little or no awareness of the exciting and rewarding opportunities within targeted industry sectors. Most individuals seeking careers do not know about the breadth of careers awaiting them in the built environment and the same is true for most career and guidance counselors, educators, and parents. The GBCM provides this broad audience with a vision of the myriad jobs that could lead to a long-standing career in energy efficiency. The GBCM describes diverse occupations across the EE industry, charts possible progression between those occupations, and identifies the training, skills, and credentials necessary to do them well.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Technical Assistance for Rural Alaska Tribal Energy Solutions (Final Technical Report)

The original intent of this project was to provide technical assistance (TA) to rural Tribal communities across all regions of Alaska with a focus on public infrastructure. The Alaska Native Tribal Health Consortium (ANTHC) met this goal by providing more than 48 instances of energy-related technical assistance to rural Alaska Native communities, many of which led to them securing funding and implementing new projects that contributed to reducing the high cost of energy. Additionally, the Department of Energy (DOE) Office of Indian Energy staff saw the benefits of the energy technical assistance services being provided by ANTHC and, recognizing the value of having a trusted tribal non-profit entity providing technical support to its membership, amended the project to include standardization of TA services, internal capacity building, and regional outreach. This amended scope allowed ANTHC to streamline and standardize its technical assistance process, provide outreach to rural Alaska Native communities about DOE and ANTHC’s technical assistance program, and improve the ability of staff to provide even higher quality technical deliverables in support of energy projects. Overall, this project was successful in using technical assistance to empower both rural Alaska Native communities and the Alaska Native Tribal Health Consortium to develop and deploy energy efficiency and renewable energy solutions that will reduce the extremely high energy cost burdens facing Tribal communities in Alaska.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Theories of homogeneous and electrochemical electron transfer in complex media and interfaces (Final Technical Report)

This project makes the next step in establishing practical theories of charge transfer in complex media. The development of formal models is supported by extensive atomistic simulations, quantum calculations of force-field parameters, and direct measurements of charge-transfer spectra. All theory development is supported by experiment, extensive numerical simulations, and through external collaborations.

14 SOLAR ENERGY↗
DOE OSTI2024

Final Technical Report

The capture of CO2 and its simultaneously conversion to useful chemical fuels driven by solar energy represents one of the best solutions to resolve our growing energy and environmental concerns. The most critical challenge to this endeavor is the rational design of a photocatalytic architecture that can effectively couple a given photosensitizer (PS) with an appropriate catalyst, thereby enabling efficient photosensitization of a multi-electron reduction catalysis. This research program aims to address this challenge using an interdisciplinary approach that combines innovative material design and synthesis, fundamental mechanistic studies, and photocatalytic performance evaluation. The strategies include 1) constructing and investigating a novel class of 2D COF hybrid photocatalysts with an effective photoactive organic building block as PS and a precisely incorporated CO2 reduction molecular catalyst (MC); and 2) mechanistic origins of CO2 photoreduction using a set of complementary time-resolved and in situ spectroscopic techniques. The novelty of the proposed hybrid system lies in the unprecedented combination of the unique advantage of porous crystalline COF PS with the precise catalytic function of MC for photocatalytic CO2 reduction. In the periods of the support (09/01/2019-12/31/2022), we have made research progress in four projects: 1) Exploring 2D COFs with incorporated Mn complex for light driven CO2 reduction; 2) The dependence of excited state and charge transfer dynamics on monomer structure of 2D COFs; and 3) Control over Charge Separation by Imine Structural Isomerization in Covalent Organic Frameworks with Implications on CO2 Photoreduction; and 4) The impact of monomer structure on the photoluminescence properties of COFs. We found that both monomer structure and linker chemistry can effectively impact the excited state dynamics, charge transfer properties, and photoluminescence quantum yields, the important properties that dictate their applications in photocatalysis. In addition, we found that the direction of imine linker determines charge transfer direction and thus controls the types of catalytic reactions (e.g. water oxidation or CO2 reduction reactions). The result from these fundamental studies provides important information for correlating the structure of the COF photocatalysts with their photophysical properties and catalytic functions, paving the way for their novel application in photocatalysis. We expect that our findings will contribute to addressing current shortcomings of semiconductor- and molecular-based photocatalytic systems that suffer from inefficient light harvesting and charge separation and poor adsorption and activation of reactants. In turn, this research will contribute towards the development of novel photocatalytic systems for CO2 reduction to generate renewable chemical fuels and simultaneously address the problem of mitigating climate change due to CO2 accumulation. In addition, the experimental approaches employed in this research can be easily transferred to other energy technologies and are expected to broadly impact fields involving photocatalysis, optoelectronic devices, and solar energy conversion. The proposed research has also been integrated with educational activities and serve as a basis to raise awareness around the critical issues of global energy production and consumption, and to develop the next generation of solar energy scientists.

14 SOLAR ENERGY↗
DOE OSTI2024

Experimental Neutrino Physics Research with Liquid Argon TPCs (Final Technical Report)

In this report, we present the accomplishments, products, impact, and outcomes of the project funded by the DOE award DE-SC0024095. The research accomplishments are making important contributions to achieving the physics goals, demonstrating the robustness and potential of software-level event reconstruction algorithms, and ensuring high-quality detector operation for relevant US accelerator neutrino experiments using liquid argon time projection chamber technology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Modeling of Macroscopic Dynamics in Three-Dimensional Plasma Configurations (Final Technical Report)

A numerical simulation-based study to investigate the stability properties of inherently three-dimensional plasma magnetic configurations is presented. These configurations, called stellarators and heliotrons, use external helical coils to provide the twisting magnetic field that is required to confine ionized plasma particles. In contrast to the tokamak configuration, which nominally has the property of axisymmetry, electrical current does not need to be induced in stellarator and heliotron plasma. Experiments have shown that these three-dimensional configurations are remarkably robust to macroscopic instability, even when driven to relatively high levels of plasma pressure. Our understanding of how the plasma is able to withstand macroscopic instability will be enhanced by the work proposed here. The effort will generalize existing numerical modeling capability, and it will apply the new capability to model macroscopic dynamics in these three-dimensional configurations. The development work has been applied to the NIMROD simulation code (https://nimrodteam.org) that was originally based on axisymmetric problem domains. It has been generalized to accommodate the three-dimensional shaping of the plasma volume in stellarators and heliotrons. Its use of equilibrium data has also been generalized, and the implementation allows different numerical representation of the magnetic field. Analysis has been performed to inform the selection of numerical methods, and a method to accelerate the iterative solution of the necessary algebraic systems has been developed and implemented. Verification of the new NIMSTELL code on benchmark problems has also been an important part of the effort.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Risk-informed Hierarchical Control of Behind-the-Meter DERs with AMI Data Integration (Final Technical Report)

This project addresses several key barriers to implement the next generation demand response applications and provides a clear understanding of implementing hierarchical and standalone control using AMI data. Through this program, Eaton has developed and tested a meter-as-a-controller prototype with the help of other partners--- National Renewable Energy Laboratory (NREL), Electric Power Research Institute (EPRI), Pecan St Inc. (PSI), and Delaware Electric Cooperative (DEC). The controller can utilize residential controllable loads such as heating, ventilation, and air conditioner (HVAC), electric water heater and distributed energy resources like solar PV and battery energy storage systems for off-setting the demand that is required from the grid, thus providing reliable grid-services for demand reduction or peak shaving. The controller is also capable of coordinating the resources of the premises for better management and energy efficiency while meeting the comfort bound of the premises owner as quality-of-service. The development has been demonstrated in a three virtual-home setup at system performance lab of NREL with real appliances (HVAC, electric water heater, solar PV, and battery). The technology has also been proved through laboratory and field demonstration with successful interconnectivity (e.g., end-to-end communication and data exchange) between the residential appliances and utility through the RF network at Delaware Electric Co-op (DEC) in Delaware.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Engineered Microorganisms for Enhanced Rare Earth Element Bio-mining and Separations (Final Technical Report)

Rare earth elements (REE) are critical ingredients of sustainable energy technologies, but their extraction from ore and separation from one another pose formidable challenges. To solve the challenge of REE supply, we used advanced genomics, high-throughput screening with synthetic REE minerals, and synthetic biology to engineer two sets of exotic microbes to (1) extract REE from ores, spent cracking catalysts, coal ash and electronic waste with high efficiency and selectivity, and (2) to purify REE into single element batches, all under benign conditions without the need of harsh solvents and high temperatures. This work integrated our expertise in systems and synthetic biology (Buz Barstow); rare-earth geochemistry (Esteban Gazel) and mineral synthesis (Megan Holycross); and microsystems engineering (Mingming Wu) by first elucidating the set of rules that predict an organism’s phenotype and then applying them to solve this critical problem in sustainable energy. These new technologies could help to revitalize the US rare earth industry and provide a new source of these critical elements for future energy technologies. We have already had some big success in tech transfer. Two of our team members (postdoctoral fellow Alexa Schmitz and graduate student Sean Medin) were able to study the supply chain for REE in the United States, and identify an opportunity to commercialize our REE mineral-dissolution technology. Alexa and Sean recently founded REEgen, Inc., an REE biomining company. Dr. Schmitz was recently awarded a fellowship from the Activate Foundation to support the first two years of REEgen. Cornell showed its support for this technology and company, and Dr. Schmitz was awarded the Rising Women Innovator’s award. These two awards unlocked support from Cornell’s Praxis Incubator.

58 GEOSCIENCES↗
DOE OSTI2024

Nion Swift FY2021 phase I Final Technical Report DE-SC0021546

Phase I of the project is an on-going success. The enhanced and extended new application programming interface (API) developed in Phase I is in use at customer sites around the world: Berlin, UK, US, China, France, Austria. The modules developed to demonstrate the new API features are in daily use at these sites for acquiring, processing, and analyzing microscopy data from 4D- and 5D-STEM to single-point spectroscopy at highest resolution.

Lovejoy, Tracy↗