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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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411 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Field observational constraints on the controllers in glyoxal (CHOCHO) reactive uptake to aerosol

Abstract. Glyoxal (CHOCHO), the simplest dicarbonyl in the troposphere, is a potential precursor for secondary organic aerosol (SOA) and brown carbon (BrC) affecting air quality and climate. The airborne measurement of CHOCHO concentrations during the KORUS-AQ (KORea–US Air Quality study) campaign in 2016 enables detailed quantification of loss mechanisms pertaining to SOA formation in the real atmosphere. The production of this molecule was mainly from oxidation of aromatics (59 %) initiated by hydroxyl radical (OH). CHOCHO loss to aerosol was found to be the most important removal path (69 %) and contributed to roughly ∼ 20 % (3.7 µg sm−3 ppmv−1 h−1, normalized with excess CO) of SOA growth in the first 6 h in Seoul Metropolitan Area. A reactive uptake coefficient (γ) of ∼ 0.008 best represents the loss of CHOCHO by surface uptake during the campaign. To our knowledge, we show the first field observation of aerosol surface-area-dependent (Asurf) CHOCHO uptake, which diverges from the simple surface uptake assumption as Asurf increases in ambient condition. Specifically, under the low (high) aerosol loading, the CHOCHO effective uptake rate coefficient, keff,uptake, linearly increases (levels off) with Asurf; thus, the irreversible surface uptake is a reasonable (unreasonable) approximation for simulating CHOCHO loss to aerosol. Dependence on photochemical impact and changes in the chemical and physical aerosol properties “free water”, as well as aerosol viscosity, are discussed as other possible factors influencing CHOCHO uptake rate. Our inferred Henry's law coefficient of CHOCHO, 7.0×108 M atm−1, is ∼ 2 orders of magnitude higher than those estimated from salting-in effects constrained by inorganic salts only consistent with laboratory findings that show similar high partitioning into water-soluble organics, which urges more understanding on CHOCHO solubility under real atmospheric conditions.

Kim, Dongwook (ORCID:0000000221723588)↗
DOE OSTI2024

Applying double cropping and interactive irrigation in the North China Plain using WRF4.5

Abstract. Irrigated cultivation exerts a significant influence on the local climate and the hydrological cycle. The North China Plain (NCP) is known for its intricate agricultural system, marked by expansive cropland, high productivity, compact rotation, a semi-arid climate, and intensive irrigation practices. As a result, there has been considerable attention on the potential impact of this intensive irrigated agriculture on the local climate. However, studying the irrigation impact in this region has been challenging due to the lack of an accurate simulation of crop phenology and irrigation practices within the climate model. By incorporating double cropping with interactive irrigation, our study extends the capabilities of the Weather Research Forecast (WRF) model, which has previously demonstrated commendable performance in simulating single-cropping scenarios. This allows for two-way feedback between irrigated crops and climate, further enabling the inclusion of irrigation feedback from both ground and vegetation perspectives. The improved crop modeling system shows significant enhancement in capturing vegetation and irrigation patterns, which is evidenced by its ability to identify crop stages, estimate field biomass, predict crop yield, and project monthly leaf area index. The improved simulation of large-scale irrigated crops in the NCP can further enhance our understanding of the intricate relationship between agricultural development and climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Allosteric activation or inhibition of PI3Kγ mediated through conformational changes in the p110γ helical domain

PI3Kγ is a critical immune signaling enzyme activated downstream of diverse cell surface molecules, including Ras, PKCβ activated by the IgE receptor, and Gβγ subunits released from activated GPCRs. PI3Kγ can form two distinct complexes, with the p110γ catalytic subunit binding to either a p101 or p84 regulatory subunit, with these complexes being differentially activated by upstream stimuli. Here, using a combination of cryo electron microscopy, HDX-MS, and biochemical assays, we have identified novel roles of the helical domain of p110γ in regulating lipid kinase activity of distinct PI3Kγ complexes. We defined the molecular basis for how an allosteric inhibitory nanobody potently inhibits kinase activity through rigidifying the helical domain and regulatory motif of the kinase domain. The nanobody did not block either p110γ membrane recruitment or Ras/Gβγ binding, but instead decreased ATP turnover. We also identified that p110γ can be activated by dual PKCβ helical domain phosphorylation leading to partial unfolding of an N-terminal region of the helical domain. PKCβ phosphorylation is selective for p110γ-p84 compared to p110γ-p101, driven by differential dynamics of the helical domain of these different complexes. Nanobody binding prevented PKCβ-mediated phosphorylation. Overall, this work shows an unexpected allosteric regulatory role of the helical domain of p110γ that is distinct between p110γ-p84 and p110γ-p101 and reveals how this can be modulated by either phosphorylation or allosteric inhibitory binding partners. This opens possibilities of future allosteric inhibitor development for therapeutic intervention.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Graphene oxide/metal nanocrystal multilaminates the atomic limit for safe, selective hydrogen storage

Various embodiments of the invention describe an environmentally stable, and exceptionally dense hydrogen storage (6.5 wt % and 0.105 kg H2/L in the total composite, 7.56 wt % in Mg) using atomically thin and gas-selective reduced graphene oxide sheets as encapsulants. Other approaches to protecting reactive materials involve energy intensive introduction of considerable amounts of inactive, protective matrix which compromises energy density. However, these multilaminates are able to deliver exceptionally dense hydrogen storage far-exceeding 2020 DOE target metrics for gravimetric capacity (5.5 wt %), and ultimate full-fleet volumetric targets (0.070 kg H 2 /L) for fuel cell electric vehicles. Methods of stabilizing reactive nanocrystalline metals in zero-valency also has wide-ranging applications for batteries, catalysis, encapsulants, and energetic materials.

Urban, Jeffrey J.↗
DOE OSTI2022

Phosphonated polymers, and methods of production thereof, for use as polymer electrolyte membranes (PEMs) and/or catalyst ionomeric binders for electrodes in PEM fuel cells

The present disclosure provides phosphonated polymers that can be used, for example, as polymer electrolyte membranes (PEMs) and/or catalyst ionomeric binders for electrodes in PEM fuel cells, and more particularly for high-temperature PEM fuel cells. High-temperature PEM fuel cells that use phosphonated polymers of the present disclosure suffer from reduced or no acid leaching because, in at least some examples, phosphonic acid moieties are covalently bound to the backbone of the polymers. A phosphonated polymer include a backbone having one or more aromatic monomers, with each aromatic monomer having one or more phosphonic acid groups. A phosphonic acid group may include phosphonic acid or a functional group that is hydrolysable into phosphonic acid.

Park, Eun Joo↗
DOE OSTI2022

Polyaromatic electrolytes for alkaline membrane fuel cells

A polyaromatic electrolyte for a fuel cell electrode includes a structure represented by Formula 1, wherein in Formula 1, Ar is a neutral unit represented by one of Formula 2A and Formula 2B: The fuel cell electrode may include a catalyst suspended in the polyaromatic electrolyte.

Park, Eun Joo↗
DOE OSTI2023

Proton exchange membrane material and methods of making the same

Hydrocarbon proton exchange membranes are disclosed that are composed of a material including a hydrophobic main chain, and acidic side chains. The main chain includes a polyaryl structure that is substantially free of ether linkages and also includes a fluoromethyl substituted carbon. The acidic side chains include a hydrocarbon tether terminated by a strongly acidic group, such as a fluoroalkyl sulfonate group. Chemical stability of the material is increased by removing the ether linkages from the main chain. The hydrophobic main chain and substantially hydrophilic side chains create a phase-separated morphology that affords enhanced transport of protons and water across the membrane even at low relative humidity levels. These materials are advantageous as membranes for use in fuel cells, redox flow batteries, water hydrolysis systems, sensors, electrochemical hydrogen compressors, actuators, water purifiers, gas separators, etc.

Bae, Chulsung↗
DOE OSTI2023

Electrochemical polymer pen lithography

Disclosed herein is a massively parallel patterning tool for the deposition of single metals or metal alloys with size and composition control. Methods of the disclosure use a hydrogel array of pyramidal pen tips as a medium for localized electrodeposition, in conjunction with a scanning probe lithography platform and a three-electrode cell. This versatile technique can be used for high-throughput 3D printing, biomolecule patterning, or screening of catalyst nanoparticles or thin films.

Mirkin, Chad A.↗
DOE OSTI2023

Ionic functionalization of aromatic polymers for ion exchange membranes

The electrochemical energy conversion system of the present disclosure includes an anode, a cathode, and an ion exchange membrane including a polymer having an aromatic polymer chain and an alkylated substrate including an alkyl chain, and at least one ionic group. The alkylated substrate is bound to at least one aromatic group in the polymer chain via Friedel-Crafts alkylation of the at least one aromatic group. The alkylation reaction utilizes a haloalkylated tertiary alcohol or a haloalkylated alkene as a precursor. In the presence of an acid catalyst, a carbocation is generated in the precursor which reacts with the aromatic rings of the polymer chain. The at least one ionic group is then replaced with a desired cationic or anionic group using a substitution reaction. The membranes exhibit advantageous stability achieved through a simplified and scalable reaction scheme.

Bae, Chulsung↗
DOE OSTI2022

Conceptual design of inverted core lead bismuth eutectic fast reactor for marine applications

The development of an inverted core fast reactor aims to generate 60 MWth for about 30 Effective Full Power Years without refueling. The reactor design is a transportable reactor using UO{sub 2} fuel and lead-bismuth-eutectic cooled designed for marine applications and is intended to improve the reactor performances compared to the normal core design: better condition for passive cooling system capability by lower core pressure drop, taking advantage of potential power uprate from the lower maximum fuel temperature. Systematic design processes are presented in this work: fuel pin geometry selection, fuel assembly (FA) design, and core design. A relationship between pressure drops, coolant velocity, maximum fuel temperature, coolant channel diameter, and fuel volume fraction was introduced in a single graph used as a tool to select fuel pin geometry. Fuel fabrication capability also took place in consideration of FA design which led to 7 holes per FA, and two-dimensional temperature distribution studies were also carried out. Core design processes including radial zoning, axial zoning, and core optimization were conducted using Monte Carlo code MCS, which is UNIST CORE laboratory in-house code. The current core design uses 3 fuel enrichment levels and 3 FA types to control the local power distribution and power shift during its lifetime. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Ligand exchange of nanocrystal films

A method includes at least partially submerging a substrate in a colloidal mixture of nanocrystals and a first solvent. The nanocrystals have first ligands coupled thereto. The method also includes applying an electric field to the colloidal mixture to form a solvated nanocrystal film and removing the solvated nanocrystal film from the first solvent. The method further includes applying a second solvent to the solvated nanocrystal film for ligand exchange. The second solvent comprises second ligands. A nanocrystal film product formed by one-step ligand exchange includes at least one dimension greater than 100 nm and ordered nanocrystals characterized as having a domain size of greater than 100 nm.

Xu, Xiaojie↗
DOE OSTI2024

Quaternized polyaromatics for use in electrochemical devices

Disclosed herein in various embodiments are aryl-ether free polyaromatic polymers based on random copolymer architecture with two, three, or more aromatic ring components and methods of preparing those polymers. The polymers of the present disclosure can be used as ion exchange membranes, e.g., as anion exchange membranes, and ionomer binders in alkaline electrochemical devices.

Bae, Chulsung↗