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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Making coordination networks ionic: a unique strategy to achieve solution-processable hybrid semiconductors

The development of high-performance, solution-processable semiconducting materials is crucial for the advancement of emerging clean-energy technologies such as light-emitting diodes and photovoltaics. While hybrid perovskites have shown considerable promise for implementation in these technologies, their reliance on toxic metals and relatively low stability towards moisture and chemical environments remain to be addressed. In this Chemistry Frontiers article, we describe a unique strategy to build nontoxic, robust and solution-processable hybrid semiconductors based on copper halide by incorporating ionic bonds in coordination complexes (molecular or extended network structures). Specifically, these compounds are made of anionic copper(I) halide and cationic organic ligands that form both coordinate and ionic bonds at the inorganic/organic interfaces and are referred to as all-in-one (AIO)-type structures. Here, the unique bonding nature renders the AIO-type structures with greatly enhanced solubility, excellent optical tunability and remarkable framework stability, all highly desirable for thin-film based optoelectronic devices. We will highlight the most recent progress in the development of this material group, including their design strategies, important properties and potential for clean-energy related applications. We will also briefly discuss the existing challenges and future outlook of these materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Physics-guided neural networks with engineering domain knowledge for hybrid process modeling

As neural networks are more frequently used to solve problems in science and engineering, the methods used to incorporate scientific knowledge into these networks are becoming increasingly complex. Here, this work breaks down these complicated techniques into a set of basic strategies which can easily be applied to diverse situations. Several novel neural networks are built using the categories laid out in this work. These networks are tested on simulated data from a continuous stirred tank reactor (CSTR) model to evaluate the advantages provided by each network. The three points demonstrated in this work are: (1) architectural hybrid models can speed up convergence and reduce the amount of data necessary to train a model; (2) adding a physics-guided loss function can improve model generalization and make models more physically consistent; (3) using physics-guided initialization and transfer learning improves accuracy and speeds up convergence, but can harm generalizability if used incorrectly.

42 ENGINEERING↗
DOE OSTI2022

3ω techniques for measurement of volumetric heat capacity and anisotropic thermal conductivity of a solution processable, hybrid organic/inorganic film, Te-PEDOT:PSS

We report that measuring the thermal properties of anisotropic films of hybrid materials poses a challenge to existing metrology techniques. We have developed a new approach for measuring the volumetric heat capacity and anisotropic thermal conductivity of these systems using the 3ω method. While there exist many avenues for measuring the thermal properties of thin films, most carry with them difficult requirements such as smooth surfaces or advanced lithography. Here, we present measurements of a film's in-plane and cross-plane conductance and its volumetric heat capacity using relatively simple sample configurations, each requiring a single heater. For the measurement of volumetric heat capacity, we present a new model fitting method, relying on a standard film-on-substrate configuration. For the measurement of in-plane thermal conductance by 3ω, we have developed the use of an embedded micro-wire heater in suspended drop cast films, allowing for a 12 μm wide heater without the need for advanced lithography. We also expose the surprisingly significant effect of thermal radiation in the suspended film measurement and its associated error. Our measurements reveal a large anisotropy in the thermal conductivity of our test material, Te-PEDOT:PSS, of k in-plane / k cross-plane = 19, consistent with the nanoscale morphology of the material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hybrid magnonics: Physics, circuits, and applications for coherent information processing

Hybrid dynamic systems have recently gained interest with respect to both fundamental physics and device applications, particularly with their potential for coherent information processing. In this work, we will focus on the recent rapid developments of magnon-based hybrid systems, which seek to combine magnonic excitations with diverse excitations for transformative applications in devices, circuits, and information processing. Key to their promising potentials is that magnons are highly tunable excitations and can be easily engineered to couple with various dynamic media and platforms. The capability of reaching strong coupling with many different excitations has positioned magnons well for studying solid-state coherent dynamics and exploiting unique functionality. In addition, with their gigahertz frequency bandwidth and the ease of fabrication and miniaturization, magnonic devices and systems can be conveniently integrated into microwave circuits for mimicking a broad range of device concepts that have been applied in microwave electronics, photonics, and quantum information. We will discuss a few potential directions for advancing magnon hybrid systems, including on-chip geometry, novel coherent magnonic functionality, and coherent transduction between different platforms. As a future outlook, we will discuss the opportunities and challenges of magnonic hybrid systems for their applications in quantum information and magnonic logic.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Mechanical and thermal behavior of additively manufactured Invar 36 using a laser hot wire hybrid DED process

Invar 36 alloy is a material of high interest in the composite tooling sector due to its low coefficient of thermal expansion. Current production of Invar 36 tooling using traditional manufacturing such as casting and forging is associated with long lead times due to a multitude of factors such as labor and component shortages, high material costs, foreign competition, and supply chain issues. An attractive alternate process is the use of an integrated 5-axis CNC hybrid Laser Hot Wire Deposition System (LHWD) for manufacturing invar molds. Here, the hybrid process provides a combination of the additive and subtractive technologies resulting in a synergistic platform for producing and repairing structures and molds. The main novelty and goal of this work is to study the properties of Invar deposited by a LHWD and to provide guidelines for the manufacture of parts using this process. In this study, the thermal expansion behavior of the manufactured specimens has been analyzed and related to its printing parameters and direction. Multiple specimens were extracted for mechanical, dilatometry and metallographic testing. A thermal IR recording of the printing process was also carried out to observe the thermal history of the produced parts to establish thermal influence on performance-property-processing relationship. The results of these tests show the advantage of LHWD technology for the manufacture of Invar alloy parts, as it presents similar thermal expansion behavior as those commercially available with minimal presence of precipitates and no macrostructural failures such as pores, cracks and lacks of fusion.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Analysis of Using a Hybrid ZIRCEX Process to Generate High-Assay Low-Enriched Uranium (HALEU) - 20158

Idaho National Lab (INL) is investigating the feasibility of providing High-Assay Low Enriched Uranium (HALEU) by recovering Highly Enriched Uranium (HEU) from spent nuclear fuel (SNF) and downblending the HEU with natural, low-enriched, or depleted uranium (NU, LEU, or DU). That investigation identified that significant quantities of HALEU could be produced with a Hybrid ZIRCEX process to further advanced reactor research while reducing INL's environmental liability. Many new advanced reactor designs are being developed with improved safety, efficiency, and economics. Most require nuclear fuel with U-235 enrichment between 5% and 20%, which is defined as HALEU. Although technically feasible, there is no current domestic capability to make HALEU in the US. While it is anticipated that industry will provide HALEU through commercial enrichment once advanced reactors mature, until a market is established, an interim source of HALEU is needed to enable research and demonstration. An interim source of HALEU could be provided by recovering the HEU in some DOE-managed SNF and downblending it to between 5% and 20% using the Hybrid ZIRCEX Process. ZIRCEX is a dry head-end process to remove cladding (zirconium or aluminum) from SNF. Drying of the SNF is needed prior to introduction to ZIRCEX. After cladding removal, uranium and fission products in the bed material are oxidized and elutriated. In a Hybrid ZIRCEX process, the HEU process stream is sent to a very compact, modular solvent extraction process for uranium purification. The uranyl nitrate from solvent extraction is denitrated and calcined to produce a HALEU product ready for fuel fabrication. The long-lived fission products from solvent extraction are immobilized in glass using a small in-can melt. By removing the cladding before dissolution, the volume of glass waste is reduced by a factor of up to 300 times (when compared to not removing the cladding from the fuel). Other radioactive wastes from the process could be disposed of as Class A or Class B low-level waste. In addition to producing HALEU for advanced reactors, consumption of SNF would reduce DoE's environmental liability. Incorporating low-enriched spent fuel (versus exclusive use of LEU, DU, or NU) into the downblending scheme could reduce the SNF inventory even further. Several downblending and enrichment scenarios using INL fuels were investigated in this study. The results of this analysis show that the Hybrid ZIRCEX process could make a significant contribution to needed HALEU feedstock and reduce the environmental liability of managing SNF at INL. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

System and method to facilitate a search for a hybrid-manufacturing process plan

One embodiment of the present disclosure provides a system and method for facilitating a search for a hybrid-manufacturing process plan for manufacturing an object. During operation, the system can obtain a set of partial order constraints constraining the order in which a set of at least two manufacturing actions, corresponding to addition or removal of predefined regions of space, appear in a process plan. The system can constrain, based on the set of partial order constraints, a search space. The search space can correspond to a tree in which the nodes represent the object's state and the edges represent available actions at each node. The system can then determine a set of optimized process plans represented by orderings of the actions, corresponding to paths on the search tree, that produce the desired final state in a cost-effective manner.

Crawford, Lara S.↗
DOE OSTI2022

Accelerating Noisy VQE Optimization with Gaussian Processes

Hybrid variational quantum algorithms, which combine a classical optimizer with evaluations on a quantum chip, are the most promising candidates to show quantum advantage on current noisy, intermediate-scale quantum (NISQ) devices. The classical optimizer is required to perform well in the presence of noise in the objective function evaluations, or else it becomes the weakest link in the algorithm. We introduce the use of Gaussian Processes (GP) as surrogate models to reduce the impact of noise and to provide high quality seeds to escape local minima, whether real or noise-induced. We build this as a framework on top of local optimizations, for which we choose Implicit Filtering (ImFil) in this study. ImFil is a state-of-the-art, gradient-free method, which in comparative studies has been shown to outperform on noisy VQE problems. The result is a new method: "GP+ImFil". We show that when noise is present, the GP+ImFil approach finds results closer to the true global minimum in fewer evaluations than standalone ImFil, and that it works particularly well for larger dimensional problems. Using GP to seed local searches in a multi-modal landscape shows mixed results: although it is capable of improving on ImFil standalone, it does not do so consistently and would only be preferred over other, more exhaustive, multistart methods if resources are constrained.

Muller, Juliane↗
DOE OSTI2020

Bench Scale Testing of Next Generation Hollow Fiber Membrane Modules

This project seeks to develop a next generation membrane material (PI-2) for application in Air Liquide’s (AL) hybrid process. Combining the cold membrane operation with an integrated CO 2 Compression and Purification Unit (CPU) significantly reduces the overall cost of CO 2 capture. The proposed work will accelerate the membrane bundle fabrication, scale-up and performance validation of this new material. The proposed novel membrane development, combined with the results of the previous Cold Membrane Project, will provide the best opportunity for AL to meet the long term development targets of the DOE with respect to timing, cost, and performance for CO 2 capture. Our previous field test program (DE-FE0013163) showed promising results for the hybrid process utilizing the existing commercial AL membrane bundles (PI-1 material). The project work has also shown the potential for significant improvements through initial laboratory tests with the novel material (PI-2). The initial PI-2 results show a step-change in membrane permeance. This will enable further reduction in the cost of CO 2 capture by reducing the number of membrane modules and associated equipment in the system. In order to capture this value, however, the new material needs to be validated by field testing of large bundles, representative of commercial production. Lastly, a comprehensive evaluation of novel hybrid processes and costs needs to be completed to ensure optimal use of this improved material performance. The current project seeks to develop this next generation membrane to TRL 5 (approximately 600 - 1,000 Nm3/h flue gas, 350 - 600 scfm, 0.2 - 0.3 MWe equivalent). Air Liquide manufacturing methodology will be applied to fabricate prototype (4”) membrane modules from PI-2 material. Once the manufacturing methods prove reliable with the new material, and performance is demonstrated in line with expectation, 6” commercial scale bundles will be fabricated. Recognizing that a low cost membrane solution by itself may not meet DOE’s LCOE target for CO 2 capture, we will also perform simulation studies of novel hybrid processes in combination with the next generation membrane technology. This approach has the best potential for exceeding the DOE targets. The best evaluation of the new commercial units will be performance testing under real flue gas at the NCCC. Finally, a rigorous TEA, which incorporates the novel process studies and field performance, will be completed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Current challenges and potential directions towards precision microscale additive manufacturing – Part III: Energy induced deposition and hybrid electrochemical processes

The Part III of the four-part series of articles discusses the challenges and opportunities in microscale additive manufacturing processes, specifically focusing on energy-induced deposition and electrochemical processes. Compared to the direct ink write (DIW) and laser-based processes, the energy-induced deposition methods can fabricate high-resolution, high aspect ratio and complex parts, while the hybrid electrochemical process can be used to fabricate complex parts using a wide range of conductive and photoactive materials. However, the volumetric throughput of these processes is lower than their DIW and laser-based counterparts. The processes that have been explored in this process are Focused-ion Beam Induced Deposition (FIBID), Laser Chemical Vapor Deposition (LCVD), Menicus-confined Electrodeposition (MCED) and Laser-Enabled Electrochemical Printing (LECP). The range of processable materials, feature-size resolution, geometry and volumetric throughput are used as factors to evaluate the current state-of-the-art for these processes. Finally, novel approaches have been proposed in the article to address these challenges associated with microscale AM processes.

42 ENGINEERING↗
DOE OSTI2024

Technoeconomic and Emissions Analysis of the Hybrid Redox Process for the Production of Acetic Acid with CO 2 Utilization

The production of oxygenated hydrocarbons, such as acetic acid, using captured CO 2 is a promising pathway to reduce greenhouse gas emissions in the chemical industry. The use of a chemical looping‐based hybrid redox process (HRP) is proposed to convert CO 2 and natural gas into separate CO and syngas streams that can be used to produce various commodity oxygenates, while allowing the beneficial utilization of captured CO 2 . Here, a detailed technoeconomic analysis of HRP applied to the production of acetic acid is presented. Emissions and energy analyses show the ability of HRP to lower the CO 2 emissions for acetic acid synthesis by 74% compared to a conventional steam and autothermal reforming route. HRP also offers a potential 34% reduction in capital costs. Compared to a dry reforming based acetic acid production route, HRP has the potential for significantly lower costs. If integrated with a low carbon energy source, HRP has the potential to achieve a negative emission of greenhouse gas (‐0.50 kg CO 2 per kg acetic acid).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Identifying Bounds of Inorganic Content in Solventless Processing of Hybrid Solid Electrolytes

Solid-state lithium batteries require safe, robust electrolytes to enable higher energy densities and improved safety over conventional cells. Hybrid polymer–ceramic electrolytes are a promising solution, combining the processability of polymers with the high ionic conductivity and mechanical strength of inorganic fillers. In this work, we demonstrate a solventless, UV-curing method to produce hybrid solid electrolytes using a poly(ethylene glycol) dimethyl ether (PEGDME)-based photocurable matrix incorporating Li 1.5 Al 0.5 Ge 1.5 (PO 4 ) 3 (LAGP) or Li 7 La 3 Zr 2 O 12 (LLZO) ceramic electrolyte. Inorganic filler loadings up to ∼55 wt.% could be successfully incorporated via this process which was the highest inorganic content at which the slurry remains processable and cured into a uniform film. The resulting UV-cured composite electrolytes remain flexible and exhibit room-temperature ionic conductivities on the order of 10 −4 S·cm −1 , along with notably improved lithium-ion transference numbers compared to conventional polymer electrolytes. Similar performance and processing limits were observed for both LAGP and LLZO, indicating that ceramic filler chemistry does not significantly affect the UV-curing process or the electrolyte's ion transport properties in this regime. Eliminating solvents from fabrication not only simplifies processing and mitigates environmental concerns but also enables higher solid contents that enhance mechanical strength and help suppress lithium dendrite formation. In conclusion, this scalable approach thus paves the way for manufacturing robust composite solid electrolytes for next-generation solid-state batteries (SSBs).

Batteries↗
DOE OSTI2023

Process planning for hybrid manufacturing using additive friction stir deposition

Additive friction stir deposition (AFSD) provides a solid-state approach to metal deposition that does not rely on local melting and solidification, but rather on kinetic energy and plastic flow. Here, in this study, AFSD is combined with structured light scanning, turning, and milling to produce metal components while considering the unique requirements imposed by the hybrid manufacturing process sequences. Two demonstrations are presented which include: 1) a cylindrical build plate selection to enable coordinate system transfer between deposition and turning of a hollow cone; and 2) intermittent deposition-machining operations with structured light scanning to fabricate a two-sided hexagon-cylinder geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A novel additive manufacturing compression overmolding process for hybrid metal polymer composite structures

Metal polymer composites combining low density, high strength composites with highly ductile and tough metals have gained traction over the last few decades as lightweight and high-performance materials for industrial applications. However, the mechanical properties are limited by the interfacial bonding strength between metals and polymers achieved through adhesives, welding, and surface treatment processes. In this paper, a novel manufacturing process combining additive manufacturing and compression molding to obtain hybrid metal polymer composites with enhanced mechanical properties is presented. Additive manufacturing enabled deposition of polymeric material with fibers in a predetermined pattern to form tailored charge or preform for compression molding. Here, a grade 300 maraging steel triangular lattice is first fabricated using AddUp FormUp350 laser powder bed system and compression overmolded with additively manufactured long carbon fiber-reinforced polyamide-6,6 (40% wt. CF/PA66) preform. The fabricated hybrid metal polymer composites showed high stiffness and tensile strength. The stiffness and failure characteristics determined from the uniaxial tensile tests were correlated to a finite element model within 20% deviation. Fractographic analyses was performed using microscopy to investigate failure mechanisms of the hybrid structures.

36 MATERIALS SCIENCE↗