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At least 289 records · Page 16

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DOE OSTI2025

Multiphase Processing of the Water-Soluble and Insoluble Phases of Biomass Burning Organic Aerosol

Biomass burning is one of the most significant sources of organic aerosol in the atmosphere. Biomass burning organic aerosol (BBOA) has been observed to undergo liquid– liquid phase separation (LLPS) to give core–shell morphology with the hydrophobic phase encapsulating the hydrophilic phase, potentially impacting the evolution of light-absorbing components, i.e., brown carbon (BrC), through multiphase processes. Here, we demonstrate how multiphase processing differs between the watersoluble (i.e., hydrophilic) and insoluble (i.e., hydrophobic) phases of BBOA in terms of reactive uptake of ozone in a coated-wall flow tube. Effects of relative humidity (RH) and ultraviolet (UV) irradiation were investigated. Experimental timeseries were used to inform simulations using multilayer kinetic modeling. Among non-irradiated thin films, the uptake coefficient was greatest for the water-soluble phase at 75% RH (3 × 10 –5 , corresponding to a diffusion coefficient of BrC, D BrC , of 3 × 10 –9 cm 2 s –1 ) and least for the same phase at 0% RH (1 × 10 –5 , corresponding to D BrC of 1 × 10 –10 cm 2 s –1 ). The uptake coefficient for the water-insoluble phase fell between these two (about 1.5 × 10 –5 ), regardless of RH, and the corresponding D BrC increased only slightly (8 × 10 –10 cm 2 s –1 at 0% RH to 9 × 10 –10 cm 2 s –1 at 75% RH). The uptake coefficients of both phases at 0% RH decreased significantly after UV irradiation, consistent with a transition from viscous liquid to solid and supported by qualitative microscopy observations. Modeling multiphase ozone oxidation of primary BrC components in the atmosphere demonstrated, first, that LLPS may extend the lifetime of water-soluble BBOA encapsulated by water-insoluble species by a factor of 1.5 at moderate to high RH and, also, that UV irradiation may extend the lifetime of both phases by more than a factor of 2.5.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1985

Heat and detachment in core-complex extension

It is proposed here that the Miocene to Recent structural and volcanic features of the Basin and Range Province can be explained by a single thermotectonic process acting through time. This process consists of a thermal pulse resulting in a high-temperature regime that includes a steep thermal front moving first up toward the topographic surface, then down owing to cooling induced by a combination of convection and conduction. Within the front is a condition defining a critical surface that separates brittle from ductile behavior, and is marked by a nearly horizonal detachment fault. The most prominent and structurally highest position of the detachment results from interaction between the critical surface and a hydrothermal system near the topographic surface. These various features can be superposed on older ones through thermal remobilization or structural reactivation.

Lucchitta, I.↗

NASA NTRS1986

The determination of the global average OH concentration using a deuteroethane tracer

It is proposed to measure the decreasing global concentration of an OH reactive isotopic tracer, G sub 2 D sub 6, after its introduction into the troposphere in a manner to facilitate uniform global mixing. Analyses at the level of 2 x 10 to the -19th power fraction, corresponding to one kg uniformly distributed globally, should be possible by a combination of cryogenic absorption techniques to separate ethane from air and high sensitivity isotopic analysis of ethane by mass spectrometry. Aliquots of C sub 2 D sub 6 totaling one kg would be introduced to numerous southern and northern latitudes over a 10 day period in order to achieve a uniform global concentration within 3 to 6 months by the normal atmospheric circulation. Then samples of air of 1000 l (STP) would be collected periodically at a tropical and temperate zone location in each hemisphere and spiked with a known amount of another isotopic species of ethane, C-13 sub 2 H sub 6, at the level of 10 to the -11th power mole fraction. After separation of the ethanes from air, the absolute concentration of C sub 2 D sub 6 would be analyzed using the Argonne 100-inch radius mass spectrometer.

Stevens, Charles M.↗

NASA NTRS1993

Reactive nitrogen and its correlation with ozone in the lower stratosphere and upper troposphere

High resolution in situ measurements of reactive nitrogen (NO(y)) and O3 were made in the upper troposphere and lower stratosphere at a variety of latitudes and seasons. In the lower stratosphere, NO(y) and O3 are very highly positively correlated at all times and spatial scales sampled. The ratio NO(y)/NO3 is much less variable than either species measured separately. The ratio has a much weaker gradient with altitude than the mixing ratios of O3 or NO(y). The ratio is smaller and decreases more rapidly with altitude in the tropics than at midlatitudes. In the upper troposphere NO(y) and O3 are only weakly correlated. Their ratio in the tropical upper troposphere is about 0.005-0.025 and the ratio in the midlatitude upper troposphere is about 0.004-0.010. The NO(y) in the upper troposhere is probably partly due to lightning.

Murphy, D. M.↗

DOE OSTI2023

Solution synthesis of two-dimensional zinc oxide (ZnO)/molybdenum disulfide (MoS 2 ) heterostructure through reactive templating for enhanced visible-light degradation of rhodamine B

Numerous inorganic materials have been identified as potential candidates for high-performance photocatalysts. However, their solar-to-energy conversion efficiencies still fail to meet commercial requirements. Here, the main hurdle is the rapid recombination of photoexcited electrons and holes in single-phase materials. A viable predicted approach to suppress charge recombination is coupling two materials to form a two-dimensional (2D) heterostructure that physically separates photoinduced electrons and holes in different layers. In this work, the heterostructure-based paradigm was tested and a scalable solution synthesis of epitaxial ZnO-MoS 2 heterostructure was developed. A 2D ZnO-MoS 2 heterostructure was synthesized under hydrothermal conditions by stabilizing intermediate Zn-hydroxide states on a functionalized MoS 2 surface. Detailed characterization showed the formation of multilayer heterostructure with MoS 2 flakes intercalated between large size ZnO plates. The performance of this heterostructure was evaluated using photocatalytic degradation of rhodamine B. A degradation efficiency of 70% was measured within 90 minutes of visible-light irradiation, almost doubling the efficiency of the corresponding single-phase materials or their physical mixtures.

2D heterostructure↗

DOE OSTI2022

Reactive co-sputtering of ternary Au–Ta–O films with tunable electrical resistivity

Heavy-metal-based films with high electrical resistivity are needed for hohlraums for magnetically-assisted inertial confinement fusion. Here, we study ternary Au-Ta-O films deposited by reactive direct-current magnetron co-sputtering from elemental Au and Ta targets in an oxygen containing atmosphere. By varying O content, the electrical resistivity of films can be tuned in a wide range of ~ 100 - 40,000 μΩ cm. With increasing O content, a drastic increase in resistivity occurs at ~ 45 at.% of O, separating regimes with two different dominant conduction mechanisms attributed to metallic conduction through the Au-Ta alloy matrix (for ≲ 45 at.% of O) and tunneling across insulating Ta 2 O 5 layers separating conducting islands (for ≳ 45 at.% of O). Post-deposition annealing at 300 °C leads to the segregation of Au into ~ 50-nm islands, sharply decreasing the resistivity for films with ≳ 45 at.% of O but not for the metal-like films with lower O content.

36 MATERIALS SCIENCE↗

NASA NTRS1980

Sympathetic reaction tests and analyses

The critical separation distances for explosive reactions of a solid rocket propellant were measured. Explosive reactions included low order explosion, low order detonation, and high order detonation. The effects of sample size, shape, damage and temperature on sympathetic reaction were determined experimentally. The sympathetic detonation of small cubes of solid rocket propellant was modelled numerically, using the Eulerian reactive hydrodynamic code 2DE with Forest Fire burn rates. The model was applied to cubes of 2.54 - 7.62 cm (1 - 3 in.), with agreement between calculated and experimental results.

Ricardson, D. E.↗

NASA NTRS1990

Design and development of a space station hazardous material system for assessing chemical compatibility

As the Space Station nears reality in funding support from Congress, NASA plans to perform over a hundred different missions in the coming decade. Incrementally deployed, the Space Station will evolve into modules linked to an integral structure. Each module will have characteristic functions, such as logistics, habitation, and materials processing. Because the Space Station is to be user friendly for experimenters, NASA is anticipating that a variety of different chemicals will be taken on-board. Accidental release of these potentially toxic chemicals and their chemical compatibility is the focus of this discourse. The Microgravity Manufacturing Processing Facility (MMPF) will contain the various facilities within the U.S. Laboratory (USL). Each facility will have a characteristic purpose, such as alloy solidification or vapor crystal growth. By examining the proposed experiments for each facility, identifying the chemical constituents, their physical state and/or changes, byproducts and effluents, those payloads can be identified which may contain toxic, explosive, or reactive compounds that require processing or containment in mission peculiar waste management systems. Synergistic reactions from mixed effluent streams is of major concern. Each experiment will have it own data file, complete with schematic, chemical listing, physical data, etc. Chemical compatibility information from various databases will provide assistance in the analysis of alternate disposal techniques (pretreatment, separate storage, etc.). Along with data from the Risk Analysis of the Proposed USL Waste Management System, accidental release of potentially toxic and catastrophic chemicals would be eliminated or reduced.

Congo, Richard T.↗

NASA NTRS1993

Evaluation of ovostatin and ovostatin assay

Ovostatin is a 780,000 MW protein, originally isolated from chicken egg white, which is active as a protease inhibitor. Structural studies indicate that the protein is a tetramer of identical subunits of 165,000 MW which can be separated upon reduction with beta- mercaptoethanol. Chicken ovostatin is an inhibitor of metalloproteases such as collagenase and thermolysin, and of acid proteases such as pepsin and rennin. Ovostatin isolated from duck eggs and from crocodile eggs appears to be similar to chicken egg ovostatin, but with significant differences in structure and function. Duck ovostatin contains a reactive thiol ester which is not found in the chicken protein, and duck and crocodile ovostatin inhibit serine protease such as trypsin and chymotrypsin, while chicken ovostatin does not. Electron microscopy of ovostatin indicates that two subunits associated near the middle of each polypeptide to form a dimer with four arms. Two of these dimers then associate to produce a tetramer with eight arms, with the protease binding site near the center of the molecule. Upon binding of the protease, a conformational change causes all eight arms to curl toward the center of the molecule, effectively trapping the protease and sterically hindering access of the substrates to its active site. The structural organization and mechanism of action proposed for ovostatin are nearly identical to that proposed for alpha(sub 2)- macroglobulin, a serum protease inhibitor which may play an important role in regulation of proteases in animal tissues. Although the general arrangement of subunits appears to be the same for all ovostatins studied, some differences have been observed, with chicken ovostatin more closely resembling reptilian ovostatin than the duck protein. This is a surprising result, given the evolutionary relatedness of chickens and ducks. It is possible that the differences in structures may be due to deformed subunit arrangements which occur during the processing and fixing necessary for electron microscopy. Examination of the native structure of these proteins using X-ray crystallography would help clarify these discrepancies.

Moriarity, Debra M.↗

DOE OSTI2024

Catalytic, Spectroscopic, and Theoretical Studies of Fe 4 S 4 -Based Coordination Polymers as Heterogenous Coupled Proton–Electron Transfer Mediators for Electrocatalysis

Iron–sulfur clusters play essential roles in biological systems, and thus synthetic [Fe 4 S 4 ] clusters have been an area of active research. Recent studies have demonstrated that soluble [Fe 4 S 4 ] clusters can serve as net H atom transfer mediators, improving the activity and selectivity of a homogeneous Mn CO 2 reduction catalyst. Here, in this work, we demonstrate that incorporating these [Fe 4 S 4 ] clusters into a coordination polymer enables heterogeneous H atom transfer from an electrode surface to a Mn complex dissolved in solution. A previously reported solution-processable Fe 4 S 4 -based coordination polymer was successfully deposited on the surfaces of different electrodes. The coated electrodes serve as H atom transfer mediators to a soluble Mn CO 2 reduction catalyst displaying good product selectivity for formic acid. Furthermore, these electrodes are recyclable with a minimal decrease in activity after multiple catalytic cycles. The heterogenization of the mediator also enables the characterization of solution-phase and electrode surface species separately. Surface enhanced infrared absorption spectroscopy (SEIRAS) reveals spectroscopic signatures for an in situ generated active Mn–H species, providing a more complete mechanistic picture for this system. The active species, reaction mechanism, and the protonation sites on the [Fe 4 S 4 ] clusters were further confirmed by density functional theory calculations. The observed H atom transfer reactivity of these coordination polymer-coated electrodes motivates additional applications of this composite material in reductive H atom transfer electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Effects of residual oxygen on superconducting niobium films

The integration of niobium (Nb) into emerging superconducting circuits can enhance their performance and function. However, growth of high purity Nb can be challenging due to its high reactivity with oxygen. Here, in this study, we examine the role of residual oxygen inside the growth chamber in transforming the structural, chemical, and superconducting properties of Nb films. We demonstrate that an increase in unintentional oxygen impurities lowers the superconducting critical temperature of Nb. This evolution coincides with the reduction of Nb crystal domains, which are separated by highly disordered oxygen-rich regions. Moreover, chemical analysis reveals the formation of niobium monoxide within the film during growth. These findings provide a comprehensive picture of how residual oxygen in the growth chamber can affect the properties of the Nb films. This study contributes to the materials science and engineering knowledge of superconducting Nb growth.

36 MATERIALS SCIENCE↗

NASA NTRS2014

Advanced Supported Liquid Membranes for CO2 Control in Extravehicular Activity Applications

Developing a new, robust, portable life support system (PLSS) is currently a high priority for NASA in order to support longer and safer extravehicular activity (EVA) missions. One of the critical PLSS functions is maintaining the carbon dioxide (CO2) concentration in the suit at acceptable levels. Although the Metal Oxide (MetOx) canister has worked well, it has a finite CO2 adsorption capacity. Consequently, the unit would have to be larger and heavier to extend EVA times. Therefore, new CO2 control technologies must be developed to meet mission objectives without increasing the size of the PLSS. Although recent work has centered on sorbents that can be regenerated during the EVA, this strategy increases the system complexity and power consumption. A simpler approach is to use a membrane that selectively vents CO2 to space. A membrane has many advantages over current technology: it is a continuous system with no theoretical capacity limit, it requires no consumables, and it requires no hardware for switching beds between absorption and regeneration. Unfortunately, conventional gas separation membranes do not have adequate selectivity for use in the PLSS. However, the required performance could be obtained with a supported liquid membrane (SLM), which consists of a micro porous material filled with a liquid that selectively reacts with CO2 over oxygen (O2). In a current Phase II SBIR project, Reaction Systems has developed a new reactive liquid, which has effectively zero vapor pressure making it an ideal candidate for use in an SLM. The SLM function has been demonstrated with representative pressures of CO2, O2, and water (H2O). In addition to being effective for CO2 control, the SLM also vents moisture to space. Therefore, this project has demonstrated the feasibility of using an SLM to control CO2 in an EVA application. 1 President

Wickham, David T.↗

NASA NTRS2014

Advanced Supported Liquid Membranes for CO2 Control in Extravehicular Activity Applications

Wickham, David T.↗

DOE OSTI2021

Tuning plasma parameters to control reactive species fluxes to substrates in the context of plasma catalysis

The key reactive plasma-produced gas phase species responsible for the enhanced conversion of chemicals in plasma catalysis compared to thermal catalysis have to date not been identified. This outstanding question is mainly due to the inherent large variety of plasma-produced species and the challenge of controlling and measuring the flux of each constituent of the cocktail of reactive species to a (catalytic) substrate. In this paper, we explore the possibility to control the dominant reactive species fluxes, relevant for plasma-catalysis, to a substrate in the effluent of an RF driven Ar-O 2 plasma jet. The absolute species densities of the major reactive species (O, O 2 (a 1 Δ g ), O 3 and ions) were quantified by molecular beam mass spectrometry (MBMS) to assess the possibility of using treatment distance, O 2 admixture concentration, plasma dissipated power, RF modulation frequency and duty cycle as well as the feed gas flow rate to alter the dominant species densities. Selected experimental results were also compared with a pseudo-1D plug flow model. The short-lived and long-lived species can be effectively separated by changing the treatment distance and the RF modulation frequency. Furthermore, adjusting the O 2 admixture concentration enables to change the ratio of the O 2 (a 1 Δ g ) and O 3 density. The changes in the trend of ion and O flux were found to be very similar for nearly all investigated parameters. Nonetheless the gas flow rate was able to significantly change the ratio of the O and ion density in the plasma jet effluent. Here, the impact of the surface-dependent loss probability and boundary layer reactions on the species flux to a substrate and how this qualitatively relates to the MBMS density measurements is further addressed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Electrolyte Oxidation Pathways in Lithium-Ion Batteries

The mitigation of decomposition reactions of lithium-ion battery electrolyte solutions is of critical importance in controlling device lifetime and performance. However, due to the complexity of the system, exacerbated by the diverse set of electrolyte compositions, electrode materials, and operating parameters, a clear understanding of the key chemical mechanisms remains elusive. In this work, operando pressure measurements, solution NMR, and electrochemical methods were combined to study electrolyte oxidation and reduction at multiple cell voltages. Two-compartment LiCoO 2 /Li cells were cycled with a lithium-ion conducting glass–ceramic separator so that the species formed at each electrode could be identified separately and further reactions of these species at the opposite electrode prevented. One principal finding is that chemical oxidation (with an onset voltage of ~4.7 V vs Li/Li + for LiCoO 2 ), rather than electrochemical reaction, is the dominant decomposition process at the positive electrode surface in this system. This is ascribed to the well-known release of reactive oxygen at higher states-of-charge, indicating that reactions of the electrolyte at the positive electrode are intrinsically linked to surface reactivity of the active material. Soluble electrolyte decomposition products formed at both electrodes are characterized, and a detailed reaction scheme is constructed to rationalize the formation of the observed species. The insights on electrolyte decomposition through reactions with reactive oxygen species identified through this work have a direct impact on understanding and mitigating degradation in high-voltage/higher-energy-density LiCoO 2 -based cells, and more generally for cells containing nickel-containing cathode materials (e.g., LiNi x Mn y Co z O 2 ; NMCs), as they lose oxygen at lower operating voltages.

25 ENERGY STORAGE↗

DOE OSTI2024

0D, 1D, 2D, and 3D simulations of an idealized coaxial impedance-matched Marx generator

We have conducted 0D, 1D, 2D, and 3D simulations of an idealized coaxial impedance-matched Marx generator (IMG) []. The 0D calculations were conducted with a four-element circuit model; the 1D, 2D, and 3D calculations were conducted with highly resolved, fully electromagnetic representations. The IMG consists of 30 stages distributed axially and connected electrically in series. Each stage is powered by two bricks separated by 180° and connected electrically in parallel. Each brick comprises two opposite-polarity capacitors in series with a single switch. The bricks drive an internal impedance-matched coaxial transmission line terminated by a resistive load. The simulations neglect effects due to the switch-triggering circuit, the capacitor-charging circuit, external conducting boundaries, and reactive components of the load. We find dimensionality does not significantly affect the electrical power delivered by the IMG to its load: peak load powers estimated by the 0D, 1D, 2D, and 3D simulations agree to within 1%. The 3D calculations demonstrate that electromagnetic power radiated by the bricks, and axial gaps between stages, reduces the peak load power by less than ∼ 1 % . Each simulation assumes the load impedance is 34% above that at which the load power is maximized. Operating an IMG with such an overmatched load offers several advantages while decreasing the peak load power by only 2%. The 0D, 1D, 2D, and 3D models outlined herein could be adapted to assess computationally competing IMG designs, and conduct a variety of numerical IMG experiments, an IMG is constructed. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Mechanochemically accelerated deconstruction of chemically recyclable plastics

Plastics redesign for circularity has primarily focused on monomer chemistries enabling faster deconstruction rates concomitant with high monomer yields. Yet, during deconstruction, polymer chains interact with their reaction medium, which remains underexplored in polymer reactivity. Here, we show that, when plastics are deconstructed in reaction media that promote swelling, initial rates are accelerated by over sixfold beyond those in small-molecule analogs. This unexpected acceleration is primarily tied to mechanochemical activation of strained polymer chains; however, changes in the activity of water under polymer confinement and bond activation in solvent-separated ion pairs are also important. Together, deconstruction times can be shortened by seven times by codesigning plastics and their deconstruction processes.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Dry etching of epitaxial InGaAs/InAlAs/InAlGaAs structures for fabrication of photonic integrated circuits

A dry etching process to transfer the pattern of a photonic integrated circuit design for high-speed laser communications is described. The laser stack under consideration is a 3.2-µm-thick InGaAs/InAlAs/InAlGaAs epitaxial structure grown by molecular beam epitaxy. The etching was performed using Cl2-based inductively-coupled-plasma and reactive-ion-etching (ICP-RIE) reactors. Four different recipes are presented in two similar ICP-RIE reactors, with special attention paid to the etched features formed with various hard mask compositions, in-situ passivations, and process temperatures. The results indicate that it is possible to produce high-aspect-ratio features with sub-micron separation on this multilayer structure. Additionally, the results of the etching highlight the tradeoffs involved with the corresponding recipes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗