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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Robust hierarchical three dimensional nickel cobalt tungstate-MXene nanocomposite for high performance symmetric coin cell supercapacitors

Design of rational electrode materials with hierarchically structured pseudocapacitive materials has been identified as a successful strategy for revamping the electrochemical characteristics of supercapacitors. However, the simultaneous assurance of strong electrical conductivity and higher specific capacitance via a simple and cost-effective synthesis protocol is of concern today. In this work, Ni-CoWO 4 incorporated MXene nanocomposite has been successfully prepared by a facile hydrothermal process. The structure, morphology, stoichiometry, and chemical characterization of the prepared Ni-CoWO 4 , Ti 3 C 2 T x , and Ni-CoWO4@MXene nanocomposite were explored extensively. MXene demonstrated a layered 2D nanoscale structure whereas pure Ni-CoWO 4 was composed of spherical nanoparticles. The composite Ni-CoWO 4 @MXene revealed the morphology of spherical Ni-CoWO 4 nanoparticles decorated on MXene sheets. Furthermore, a series of electrochemical characterizations illustrated the contribution of the delightful morphology of Ni-CoWO 4 @MXene composite to excellent electrochemistry. The resultant Ni-CoWO 4 @MXene electrode exhibited high specific capacitance of 582 Fg -1 at 1 A g -1 and 93.5 % capacitance retention over the 10,000 cycles., which is higher than that of the individual counterparts Ni-CoWO 4 and MXene. The excellent electrochemical performance of Ni-CoWO 4 @MXene is attributed to the synergistic interaction between Ni-CoWO4 nanoparticles and nanolayered MXene that may create new active sites that enhanced the charge transfer, charge/discharge kinetics and the electrical conductivity. Significantly, the unique Ni-CoWO 4 @MXene supercapacitor prototype delivered a higher energy density of 85.7 Wh kg -1 and power density of 0.85 kW kg -1 establishing its superiority over other Cosingle bondW based supercapacitors. A theoretical study was also performed to correlate the improved charge storage capacity of the prepared Ni-CoWO 4 @MXene composite.

25 ENERGY STORAGE↗
DOE OSTI2024

Creation of Polymer Datasets with Targeted Backbones for Screening of High-Performance Membranes for Gas Separation

A simple approach was developed to computationally construct a polymer dataset by combining simplified molecular-input line-entry system (SMILES) strings of a targeted polymer backbone and a variety of molecular fragments. This method was used to create 14 polymer datasets by combining seven polymer backbones and molecules from two large molecular datasets (MOSES and QM9). Polymer backbones that were studied include four polydimethylsiloxane (PDMS) based backbones, poly(ethylene oxide) (PEO), poly(allyl glycidyl ether) (PAGE), and polyphosphazene (PPZ). The generated polymer datasets can be used for various cheminformatics tasks, including high-throughput screening for gas permeability and selectivity. This study utilized machine learning (ML) models to screen the polymers for CO2/CH4 and CO2/N2 gas separation using membranes. Several polymers of interest were identified. Here the results highlight that employing an ML model fitted to polymer selectivities leads to higher accuracy in predicting polymer selectivity compared to using the ratio of predicted permeabilities.

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

HYBRID MANUFACTURING TECHNIQUE USING LARGE-SCALE ADDITIVE MANUFACTURING AND COMPRESSION MOLDING FOR HIGH PERFORMANCE COMPOSITES

Additive Manufacturing (AM) or 3-D printing has moved from small-scale prototypes to large-scale functional structures. With the introduction of large-scale 3D printers into the market a new industry has been born. For the first time, we are presenting the idea of preparing large-scale 3-D printed β-stage preforms to be used in traditional compression molding (CM) manufacturing technique to prepare final functional structures. Short carbon fiber (CF) reinforced material acrylonitrile butadiene Styrene i.e. ABS with 20% CF is used in present work. It is shown that highly aligned 3D printed short carbon fiber composite maintains its orientation after compression molding. A sandwich panel is prepared to show the capability to prepare complicated parts by integrating AM and CM. Interphase of the prepared dissimilar material is also studied using SEM. Samples prepared using AM-CM integration showed 11% and 79 % improvement in tensile strength and tensile modulus respectively compared to the traditional extrusion compression molding (ECM) process.

Kumar, Vipin↗
DOE OSTI2021

Novel usage of deep learning and high-performance computing in long-baseline neutrino oscillation experiments

Mención Internacional en el título de doctorDeep-learning methods are playing a crucial role in numerous scientific and industrialapplications. Over the past two decades, these techniques have helped in the collection,reconstruction, and analysis of large data samples in particle physics experiments. Themain topic of this PhD research is the study of deep-learning techniques in long-baselineneutrino oscillation experiments. Neutrinos are mysterious light elementary particles,and their investigation is essential to shed light on some of the remaining open questionsin physics. The work presented here describes an algorithm based on a convolutionalneural network developed to provide highly accurate and efficient selections of electronneutrino and muon neutrino interactions in the Deep Underground Neutrino Experiment(DUNE). With this algorithm, the electron neutrino (antineutrino) selection efficiencypeaks at 90% (94%) and exceeds 85% (90%) for reconstructed neutrino energies between2-5 GeV. The selection efficiency for muon neutrino (antineutrino) interactions is foundto have a maximum of 96% (97%) and exceeds 90% (95%) efficiency for reconstructedneutrino energies above 2 GeV. When considering all electron neutrino and antineutrinointeractions as signal (both those appearing from oscillations and those intrinsic tothe beam), a selection purity of 90% is achieved. These event selections are criticalto maximise the sensitivity of the experiment to CP-violating effects, key to furtherunderstand the matter-antimatter asymmetry of the Universe.In high-energy physics experiments, deep learning has also been explored for producingfast simulations and physically-motivated manipulations of simulated images. Some ofthose simulations, such as the light production and detection, are very computationallyexpensive and require novel methods to produce the necessary samples while controllingthe varied underlying physics model parameters. To do so, we invented the model-assistedgenerative adversarial network (MAGAN), first validated on simple generic case studiesand then successfully applied to the DUNE photon-detector simulation.Moreover, we also developed graph neural networks for 3D-voxel classification ofambiguities and optical crosstalk for a different particle physics experiment, most preciselyfor the proposed SuperFGD. This novel 3D-granular plastic-scintillator neutrino detectorwill be used to upgrade the near detector of the T2K neutrino oscillation experiment, and our method reports efficiencies and purities of 94-96% per event in the classificationof particle track voxels.Due to the growth and complexity of deep neural networks, researchers have beeninvestigating techniques to train those networks in a more computationally-efficient way.Many efforts have been made by the community to optimise deep-learning models byparallelising or distributing their training computation across multiple devices. In thisthesis, we study an approach based on data locality for those neural networks that cannotbenefit from scaling their computation due to a significant bottleneck in the data I/O.The research also includes a detailed study on the performance of deep neural networkson hardware accelerator boards.Los métodos de aprendizaje profundo son cada vez más utilizados en numerosas aplicacionescientíficas e industriales hoy en día. Durante las dos últimas décadas, estastécnicas se han empleado en la recolección, reconstrucción y análisis de la gran cantidadde datos generados por experimentos de física de partículas. El tema principal de estatesis doctoral es el uso de estos modelos de aprendizaje profundo en experimentos defísica de neutrinos, en concreto en los experimentos de larga distancia DUNE y T2K. Losneutrinos, partículas fundamentales neutras, de las más ligeras del Universo, pueden serclave para explicar algunas de las cuestiones todavía sin resolver en física fundamental.Entre las diferentes contribuciones que esta tesis ha hecho a su estudio, cabe destacar eldesarrollo de un algoritmo basado en una red de neuronas convolucional para seleccionarcon gran eficiencia y precisión las interacciones de neutrinos electrónicos y muónicos enel Deep Underground Neutrino Experiment (DUNE). La eficiencia de selección obtenidapara neutrinos (antineutrinos) electrónicos alcanza un máximo del 90% (94%) y supera el85% (90%) para neutrinos con energías reconstruidas en el rango 2-5 GeV. La selección deneutrinos (antineutrinos) muónicos tiene una eficiencia máxima del 96% (97%) y excedeel 90% (95%) para neutrinos con energías reconstruidas de más de 2 GeV. Considerandocomo señal todas las interacciones de neutrinos y antineutrinos electrónicos (procedentestanto de oscilaciones como intrínsecos en el haz inicial), se logra una pureza en la seleccióndel 90%. Dichas selecciones de eventos son fundamentales para maximizar la sensibilidaddel experimento a los efectos de violació...

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Understanding Direct-Ammonia Protonic Ceramic Fuel Cells: High-Performance in the Absence of Precious Metal Catalysts

Ammonia has received considerable attention as a promising carbon-free hydrogen carrier. At temperatures above 400 °C, NH 3 is thermodynamically unstable with respect to decomposition into nitrogen and hydrogen and is, thus, suitable for direct use in solid oxide fuel cells (SOFCs) without external reforming. However, poor catalytic activity for ammonia decomposition at the moderate temperatures of protonic ceramic fuel cell (PCFC) operation has resulted in low fuel cell power output relative to operation on hydrogen and likely contributes to reported cell degradation. Here we prepared cells based on a thermodynamically robust electrolyte, a high activity cathode, and an anode with a distinctive structure to overcome challenges of poor activity and stability. Furthermore, the cells delivered peak power densities of 0.59 and 0.44 W cm –2 under H 2 and NH 3 , respectively, at 500 °C, excellent stability over a period of 200 h, and no detectable NO x in the anode exhaust gas.

25 ENERGY STORAGE↗
DOE OSTI2020

Single crystal cathodes enabling high-performance all-solid-state lithium-ion batteries

All-solid-state lithium-ion batteries (ASSLIBs) are receiving significant attention owing to their improved safety and energy density over liquid counterparts. However, single-crystal cathodes have never been investigated in ASSLIBs. In this work, single-crystal Li(Ni 0.5 Mn 0.3 Co 0.2 )O 2 (SC-NMC532) is used as the cathode material for ASSLIBs, which exhibits 6~14 times higher Li + diffusion coefficient than polycrystalline Li(Ni 0.5 Mn 0.3 Co 0.2 )O 2 (PC-NMC532). As a result, SC-NMC532 exhibits an initial specific capacity of 156.4 mAh.g -1 while PC-NMC532 shows an initial capacity of only 127.5 mAh.g -1 . After 150 cycles, SC-NMC532 retains the capacity of 94.5 mAh.g -1 . More impressively, under a high current density of 1.3 mA.cm -2 , SC-NMC532 exhibits a capacity of 82 mAh.g -1 , much higher than that of PC-NMC532 (2.1 mAh.g -1 ). This work demonstrates that single-crystal NMC cathodes could enable both high power density and high energy density of ASSLIBs.

25 ENERGY STORAGE↗
DOE OSTI2025

Upcycling Polyethylene Waste into Hybrid Graphitic Porous Carbon Materials Used in High‐Performance Zinc‐Ion Hybrid Capacitors

Polyethylene (PE) waste is a challenge to upcycle into useful materials because this plastic tends to decompose into volatile compounds when heated at relatively low temperatures. In this work, mixtures of PE wastes into a hybrid graphitic porous carbon (HGPC) by a thermal oxidation pretreatment step, with assistance of an inert solid additive (KCl), to functionalize, crosslink, and stabilize the PE waste followed by carbonization and catalytic graphitization steps with a potassium carbonate catalyst, are upcycled. The PE waste‐derived HGPC (PW‐HGPC) has a hybrid structure composed of graphene‐like carbon nanosheets grown on the surface of carbon particles, high porosity with specific surface area, up to 1,763 m 2 g −1 , and good graphitic degree with average Raman I 2D / I G ratios of 0.53. When used as cathode material for zinc‐ion hybrid capacitors, this PW‐HGPC exhibits an excellent specific capacity, up to 126.7 mAh g −1 , at high mass loading of 10 mg cm −2 . Moreover, PW‐HGPC exhibits remarkable cycling stability with capacity retention of >94% after 10 000 cycles. Additionally, the KCl is recycled and reused over five times. This method provides a new solution for upcycling PE wastes into high value‐added carbon materials, not only for zinc‐ion hybrid capacitors but also for other electrochemical energy storage device applications.

hybrid graphitic porous carbon↗
DOE OSTI2025

High‐Performance Al–S Batteries by Spin Polarization Modulation via Catalytic Ni‐MoS 2 Nanosheets

Aluminum–sulfur (Al–S) batteries catalysts with adsorption and catalytic capabilities can effectively improve the slow redox kinetics, but the current research often ignores the effect of optimizing the electronic structure of the catalyst on improving charge transfer and adsorption. Here, in this study, Ni-doped monolayer MoS 2 nanosheets are synthesized and used as a catalytic additive for the sulfur cathode. The addition of Ni promotes spin splitting of 4d orbital of Mo, thereby affecting polarization degree of the basal plane sulfur and making it change from a low spin state to a high spin one. This high spin configuration raises the electron energy level and provides an active electron state to react with aluminum polysulfides (AlPSs), which optimizes the adsorption energy. At the same time, it accelerates electron transfer and lowers the energy barrier for the overall conversion of the polysulfides. Benefiting from these features, Al–S batteries based on rationally designed S@Ni-MoS 2 /C cathodes exhibit a high initial capacity (1603.0 mAh g −1 at 0.5 A g −1 ) and extraordinary cycling stability (0.035% capacity decay rate during 2000 cycles). This study showcases a spin-polarized electronic structure control strategy to enhance catalytic activity, providing a viable approach for developing efficient catalysts for practical Al–S batteries.

Aluminum-sulfur batteries↗
DOE OSTI2025

High-performance reversible adhesive from PET waste for underwater, structural, and pressure-sensitive applications

Developing versatile, tough, and sustainable adhesives that function effectively in both wet and dry environments is a major challenge. Here, we report a bioinspired design for versatile, tough, and reversible adhesives upcycled from consumer poly(ethylene terephthalate) (PET) waste. Our approach uses solvent-free, room-temperature dynamic cross-linking of deconstructed PET macromonomers with a diacetoacetate cross-linker, generating a dynamic, vinylogous urethane–bonded, amphiphilic adhesive. Tunable cross-linker concentration and amphiphilicity yield versatile adhesives suitable for underwater, structural, and pressure-sensitive applications on diverse substrates. Our adhesive exhibits high lap-shear strength and work of debonding under both wet and dry conditions, outperforming common commercial adhesives. The dynamic bonds enable thermal repair, on-demand multicycle debonding/rebonding, facile removal, and chemical recycling. Our strategy of transforming plastic waste into versatile, tough, and reversible adhesives offers a sustainable solution for both plastic waste management and next-generation adhesive design while also providing a commercially viable pathway for valorizing plastic waste.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Jump-Start U.S. Manufacturing of High-Performance Permanent Magnets

Gas atomized feedstock powders for Nd-Fe-B based magnets are more robust and cost effective than the strip-cast sheet currently used as feedstock for milling by the magnet industry. However, gas atomized powder’s crystallinity and grain boundary phases are less ideal than the strip cast flake. We proposed to optimize the atomization process as well as the powder chemistry to address this issue and to eliminate heavy rare earth elements from these magnet alloys. Our goal is to help GKN-Hoeganaes, a US metal powder company, who used to make Nd-Fe-B magnets, to bring back US manufacturing of these high energy density permanent magnets.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Advanced Manufacturing of Alpha Double Prime Iron Nitride (ADPIN): An Innovative Rare Earth Element (REE) Free Ultra-High Performance Permanent Magnet for Clean Energy Applications

Iron nitride magnets offer the potential for large magnetic remanence magnets absent any rare earth materials [1]. This project was submitted in response to the funding opportunity announcement (FOA) from the Advanced Manufacturing Office (AMO) of the Office of Energy Efficiency & Renewable Energy (EERE) of the Department of Energy (DOE): DE-FOA-0001465: Advanced Manufacturing Projects for Emerging Research Exploration; Topic Area 1: Advanced Materials; Subtopic 1.1: Innovative Advanced Materials Manufacturing for Clean Energy to explore nitriding iron powder using a fluidized bed technique which if successful would accomplish nitriding the iron powder with reduce industrial energy intensity. Of particular concern when using metal powders at high temperatures in a fluidized bed reactor is the defluidization temperature of the bed, also known as the ‘bed collapse’ temperature. Above the defluidization temperature the metal powders can no longer fluidize and instead become an undesirable packed powder bed. Using the published results from the Institute of Process Engineering at the Chinese Academy of Sciences in Beijing, China, FeNix Magnetics was able to develop a spreadsheet calculation that allowed predictive guidelines for the defluidization temperature of iron powder based on the type of carrier gas, flow rate of the carrier gas, and the iron powder diameter. FeNix Magnetics was not able to conclude whether the temperatures to avoid bed defluidization that were achievable in a fluidized bed reactor actually resulted in nitriding the iron powder to the required level. In order to measure the amount of nitrogen in the iron powder, FeNix Magnetics contracted with the DOE sponsored Advanced Photon Source (APS) at Argonne National Laboratory to conduct X-Ray diffraction measurements. Unfortunately, due to COVID-19 restrictions, the DOE sponsored APS was closed and unable to provide X-Ray Diffraction measurements during this program.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High performance tandem organic solar cells via a strongly infrared-absorbing narrow bandgap acceptor

Tandem organic solar cells are based on the device structure monolithically connecting two solar cells to broaden overall absorption spectrum and utilize the photon energy more efficiently. Herein, we demonstrate a simple strategy of inserting a double bond between the central core and end groups of the small molecule acceptor Y6 to extend its conjugation length and absorption range. As a result, a new narrow bandgap acceptor BTPV-4F was synthesized with an optical bandgap of 1.21 eV. The single-junction devices based on BTPV-4F as acceptor achieved a power conversion efficiency of over 13.4% with a high short-circuit current density of 28.9 mA cm -2 . With adopting BTPV-4F as the rear cell acceptor material, the resulting tandem devices reached a high power conversion efficiency of over 16.4% with good photostability. The results indicate that BTPV-4F is an efficient infrared-absorbing narrow bandgap acceptor and has great potential to be applied into tandem organic solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An Approach to High-Performance Affordable Housing Using Point-Source Space Conditioning

In cooperation with the Building America Program, The Levy Partnership explored a variety of options to reduce space-conditioning energy consumption, working with partners to design, manu- facture, and build test homes in three states. The Levy Partnership tested the use of minisplit ductless heat pumps in combi- nation with small through-wall transfer fans to provide space conditioning in small single-story homes, including manufactured homes and homes built by Habitat for Humanity. The team set out to achieve 50% less energy consumption, compared to the 2009 International Energy Conservation Code, while maintaining home afford- ability and thermal comfort. The strategy also included a highly efficient thermal envelope to reduce space-conditioning loads.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Solvent-free production of carbon materials with developed pore structure from biomass for high-performance supercapacitors

The study aimed at preparing porous carbon materials, with superhydrophilic characteristics and developed micro/mesoporous structure (CSB-800), from corn stover by a solvent-free method including pre-carbonization, ball milling, and activation. The effect of pre-carbonization, ball milling on the detailed structural composition and properties especially the hydrophilicity and porous structures were studied, and the potential application of CSB-800 as electrode in supercapacitors was also investigated. The results revealed that pre-carbonization increased the accessibility of raw materials as well as the efficiency of the ball milling with KOH, leading to small carbon particles with good dispersion behavior. Ball milling promoted the porosity, surface energy, hydrophilicity, crystallinity, and graphitization of the carbon materials. CSB-800 exhibited a high specific surface area of 2440.6 m 2 /g with developed micro and porous structures. The heteroatom nitrogen formed nitrogen-containing groups of N Q and N X, which provided faradaic pseudocapacitance when CSB-800 was used as an electrode material, and this material presented a specific capacitance of 398 F/g at 0.5 A/g in 1 M H 2 SO 4 electrolyte in a three-electrode system, while the value was 243 F/g in a two-electrode system, and the energy density reached 5.01 Wh/kg at a power density of 100 W/kg.

09 BIOMASS FUELS↗
DOE OSTI2021

Stable, high-performance, dendrite-free, seawater-based aqueous batteries

Metal anode instability, including dendrite growth, metal corrosion, and hetero-ions interference, occurring at the electrolyte/electrode interface of aqueous batteries, are among the most critical issues hindering their widespread use in energy storage. Herein, a universal strategy is proposed to overcome the anode instability issues by rationally designing alloyed materials, using Zn-M alloys as model systems (M = Mn and other transition metals). An in-situ optical visualization coupled with finite element analysis is utilized to mimic actual electrochemical environments analogous to the actual aqueous batteries and analyze the complex electrochemical behaviors. The Zn-Mn alloy anodes achieved stability over thousands of cycles even under harsh electrochemical conditions, including testing in seawater-based aqueous electrolytes and using a high current density of 80 mA cm –2 . The proposed design strategy and the in-situ visualization protocol for the observation of dendrite growth set up a new milestone in developing durable electrodes for aqueous batteries and beyond.

25 ENERGY STORAGE↗
DOE OSTI2024

High‐Performance Ternary Organic Solar Cells with Enhanced Luminescence Efficiency and Miscibility Enabled by Two Compatible Acceptors

Abstract The ternary strategy has proven to be an effective method for improving the efficiency of organic solar cells (OSCs). However, designing and selecting the third component still pose challenges. In this study, this issue is addressed by focusing on the PBDB‐T:Y18‐F binary system and introducing a new, strong luminescent, asymmetric small‐molecule acceptor (SMA) called L8‐CBIC‐Cl, which shares a similar skeleton with Y18‐F. The similarity in molecular framework facilitates good compatibility between the two acceptors, resulting in the formation of an alloy‐like acceptor phase. Furthermore, the norbornenyl‐modified end group in L8‐CBIC‐Cl contributes to its strong luminescent properties, which in turn leads to a low non‐radiative energy loss and a high open‐circuit voltage. Consequently, the PBDB‐T:L8‐CBIC‐Cl:Y18‐F based ternary devices realize a high power conversion efficiency (PCE) up to 17.01%, which is higher than PBDB‐T:Y18‐F device (14.49%). Importantly, L8‐CBIC‐Cl exhibits a good universality as a guest acceptor in other three binary systems (D18:Y6, D18:BTP‐eC9‐4F, and D18:L8‐BO). The D18:L8‐BO:L8‐CBIC‐Cl device shows an impressive efficiency of 19%. The work demonstrates that employing SMA with a high PLQY and better miscibility with host acceptor as the third component has a great potential for developing high‐efficiency ternary OSCs.

Chemistry↗
DOE OSTI2020

High-Performance Windows -- More than just a Pretty Hole in the Wall

As more stringent building energy codes and better insulation products combine to yield better performing walls, window efficiency is coming into sharper focus. The U.S. Department of Energy has supported several projects through its national laboratories to improve the thermal performance of windows. At Pacific Northwest National Laboratory (PNNL) in Richland, Washington, the PNNL Lab Homes, two fully monitored identical side-by-side manufactured homes, have been used to test the performance of several window improvements including triple-pane windows, storm windows with low-emissivity (low-e) coatings, smart automated interior insulated shades, and exterior shading products. Findings will be presented on these studies, along with impacts. For example, PNNL’s Lab Home research on low-e storm windows has helped to support a new ENERGY STAR certification, industry standards, and utility incentives. Preliminary findings will also be presented on current Lab Homes experiments focusing on exterior shades. The session will also present findings from related field studies and a market assessment of emerging high-efficiency windows technologies and discuss some of PNNL’s planned field studies that will focus on validating the benefits and costs of the emerging thin triple-pane high-R window.

windows, high-r windows, insulating windows, windo↗