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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Metal-free carbocatalyst for room temperature acceptorless dehydrogenation of N-heterocycles

Catalytic dehydrogenation enables reversible hydrogen storage in liquid organics as a critical technology to achieve carbon neutrality. However, oxidant or base-free catalytic dehydrogenation at mild temperatures remains a challenge. Here, we demonstrate a metal-free carbocatalyst, nitrogen-assembly carbons (NCs), for acceptorless dehydrogenation of N-heterocycles even at ambient temperature, showing greater activity than transition metal–based catalysts. Mechanistic studies indicate that the observed catalytic activity of NCs is because of the unique closely placed graphitic nitrogens (CGNs), formed by the assembly of precursors during the carbonization process. The CGN site catalyzes the activation of C–H bonds in N-heterocycles to form labile C–H bonds on catalyst surface. The subsequent facile recombination of this surface hydrogen to desorb H 2 allows the NCs to work without any H-acceptor. With reverse transfer hydrogenation of various N-heterocycles demonstrated in this work, these NC catalysts, without precious metals, exhibit great potential for completing the cycle of hydrogen storage.

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

Bicarbonate-Carbonate Selectivity through Nanofiltration for Direct Air Capture of Carbon Dioxide

Direct air capture (DAC) of carbon dioxide is one approach among many proposed that is capable of offsetting hard-to-avoid emissions. In previous work, we developed the alkalinity concentration swing (ACS) method, which is driven through concentrating an alkaline solution that has been loaded with atmospheric CO 2 by desalination technologies, such as reverse osmosis or capacitive deionization. Though the ACS is promising in terms of energy usage and implementation, its absorption rate and water requirements are infeasible for a large-scale DAC process. Here, we propose an improvement on the ACS, the bicarbonate-enriched alkalinity concentration swing (BE-ACS), which selects bicarbonate ions from a stream of aqueous alkaline solution that has absorbed atmospheric CO 2 . The bicarbonate-rich stream is then concentrated, which greatly increases its CO 2 partial pressure, and then CO 2 is extracted from solution. We experimentally investigate the use of pressure-driven nanofiltration (NF) membrane-based separation to select bicarbonate ions over carbonate ions. We screen commercial membranes and select one high-performance membrane for detailed studies, quantifying its bicarbonate-carbonate selectivity factor and bicarbonate-passage factor. Feed pH, the combined concentration of aqueous CO 2 , bicarbonate, and carbonate species (or dissolved inorganic carbon), alkalinity, and permeation flux are systematically varied to study NF separation properties. We find that the selectivity factor, which exceeds 30 times in certain regimes, increases with higher feed pH and higher alkalinity. Lastly, the performance metrics of the selected NF membrane are input into a theoretical BE-ACS cycle analysis, and the required energy input and cycle capacity output are evaluated. Ideal cycle energy is found to be as low as around 250 kJ/mol, with opportunities identified for further decreases through process engineering and forward osmosis energy recovery.

animal feed↗
DOE OSTI2020

CryoEM structure of the low-complexity domain of hnRNPA2 and its conversion to pathogenic amyloid

hnRNPA2 is a human ribonucleoprotein (RNP) involved in RNA metabolism. It forms fibrils both under cellular stress and in mutated form in neurodegenerative conditions. Previous work established that the C-terminal low-complexity domain (LCD) of hnRNPA2 fibrillizes under stress, and missense mutations in this domain are found in the disease multisystem proteinopathy (MSP). However, little is known at the atomic level about the hnRNPA2 LCD structure that is involved in those processes and how disease mutations cause structural change. Here we present the cryo-electron microscopy (cryoEM) structure of the hnRNPA2 LCD fibril core and demonstrate its capability to form a reversible hydrogel in vitro containing amyloid-like fibrils. Whereas these fibrils, like pathogenic amyloid, are formed from protein chains stacked into β-sheets by backbone hydrogen bonds, they display distinct structural differences: the chains are kinked, enabling non-covalent cross-linking of fibrils and disfavoring formation of pathogenic steric zippers. Both reversibility and energetic calculations suggest these fibrils are less stable than pathogenic amyloid. Moreover, the crystal structure of the disease-mutation-containing segment (D290V) of hnRNPA2 suggests that the replacement fundamentally alters the fibril structure to a more stable energetic state. These findings illuminate how molecular interactions promote protein fibril networks and how mutation can transform fibril structure from functional to a pathogenic form.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Disentangling direct from indirect relationships in association networks

Networks are vital tools for understanding and modeling interactions in complex systems in science and engineering, and direct and indirect interactions are pervasive in all types of networks. However, quantitatively disentangling direct and indirect relationships in networks remains a formidable task. Here, we present a framework, called iDIRECT (Inference of Direct and Indirect Relationships with Effective Copula-based Transitivity), for quantitatively inferring direct dependencies in association networks. Using copula-based transitivity, iDIRECT eliminates/ameliorates several challenging mathematical problems, including ill-conditioning, self-looping, and interaction strength overflow. With simulation data as benchmark examples, iDIRECT showed high prediction accuracies. Application of iDIRECT to reconstruct gene regulatory networks in Escherichia coli also revealed considerably higher prediction power than the best-performing approaches in the DREAM5 (Dialogue on Reverse Engineering Assessment and Methods project, #5) Network Inference Challenge. In addition, applying iDIRECT to highly diverse grassland soil microbial communities in response to climate warming showed that the iDIRECT-processed networks were significantly different from the original networks, with considerably fewer nodes, links, and connectivity, but higher relative modularity. Further analysis revealed that the iDIRECT-processed network was more complex under warming than the control and more robust to both random and target species removal ( P < 0.001). As a general approach, iDIRECT has great advantages for network inference, and it should be widely applicable to infer direct relationships in association networks across diverse disciplines in science and engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Growth of titania and tin oxide from Ti 2 SnC via rapid thermal oxidation in air for lithium-ion battery application

Herein, we report the synthesis of TiO 2 –SnO 2 –C/carbide hybrid electrode materials for Li-ion batteries (LIBs) via two different methods of controlled oxidation of layered Ti 2 SnC. The material was partially oxidized in an open-air furnace (OAF) or using a rapid thermal annealing (RTA) approach to obtain the desired TiO 2 –SnO 2 –C/carbide hybrid material; the carbide phase encompassed both residual Ti 2 SnC and TiC as a reaction product. We tested the oxidized materials as an anode in a half cell to investigate their electrochemical performance in LIBs. Analysis of the various oxidation conditions indicated the highest initial lithiation capacity of 838 mAh/g at 100 mA/g for the sample oxidized in the OAF at 700°C for 1 h. Still, the delithiation capacity dropped to 427 mAh/g and faded over cycling. Long-term cycling demonstrated that the RTA sample treated at 800°C for 30 s was the most efficient, as it demonstrated a reversible capacity of around 270 mAh/g after 150 cycles, as well as a specific capacity of about 150 mAh/g under high cycling rate (2000 mA/g). Given the materials’ promising performance, this processing method could likely be applied to many other members of the MAX family, with a wide range of energy storage applications.

25 ENERGY STORAGE↗
NASA NTRS1991

Si(1-x)Ge(x)/Si Infrared Photodiodes

Cutoff wavelengths depend on x and also adjusted somewhat via reverse bias. Si1-xGex photodiodes with cutoff wavelengths in and beyond practically important range of 8 to 12 micrometers made by molecular-beam epitaxy. Compatible (in terms of fabrication processes) with silicon readout circuitry, exhibit long-term stability, manufactured with sufficient uniformity for use in focal-plane arrays; and operate at temperatures approximately greater than 65 K, for which temperatures small, portable refrigerators available.

Lin, True-Lon↗
NASA NTRS1995

Stream interfaces and energetic ions II: Ulysses test of Pioneer results

Ulysses measurements of energetic and solar wind particles taken near 5 AU between 20 and 30 degrees south latitude during a well-developed recurring corotating interaction region (CIR) show that the CIR's corotating energetic ion population (CEIP) associated with the trailing reverse shock starts within the CIR at the stream interface. This is consistent with an earlier result obtained by Pioneers 10 and 11 in the ecliptic plane between 4 and 6 AU. The Ulysses/Pioneer finding is noteworthy since the stream interface is not magnetically connected to the reverse shock, but lies 12-17 corotation hours from it. Thus, the finding seems to be inconsistent with the basic model that generates CEIP particles at the reverse shock and propagates them along field lines. Eliminating the inconsistency probably entails an extension of the standard model such as cross-field diffusion or a non-shock energization process operating near the stream interface closer to the sun.

Intriligator, Devrie S.↗
NASA NTRS1996

Vapor Flow Patterns During a Start-Up Transient in Heat Pipes

The vapor flow patterns in heat pipes are examined during the start-up transient phase. The vapor core is modelled as a channel flow using a two dimensional compressible flow model. A nonlinear filtering technique is used as a post process to eliminate the non-physical oscillations of the flow variables. For high-input heat flux, multiple shock reflections are observed in the evaporation region. The reflections cause a reverse flow in the evaporation and circulations in the adiabatic region. Furthermore, each shock reflection causes a significant increase in the local pressure and a large pressure drop along the heat pipe.

Issacci, F.↗
NASA NTRS2000

The Evolution of Tropospheric Temperature Field and its Relationship With The Onset of Asian Summer Monsoon

The mean state and year-to-year variations of the tropospheric temperature fields and their relationship with the establishment of the summertime East Asian monsoon (EAM) and the Indian monsoon (INM) are studied using the NCEP reanalysis data of 15 years (1982-1996). The results show that the seasonal shift of the South Asian High in the upper troposphere and the establishment of the EAM and the INM are closely related to the seasonal warming which causes a reversal of the meridional gradient of upper tropospheric mean temperature over the monsoon regions. On the average of 15 years, the reversal time of the temperature gradient in the EAM region (INM region) is concurrent with (one pentad earlier than) the onset time of the summer monsoon. In most years of the 15-year period, the reversal of temperature gradient coincides or precedes the onset time of the summer monsoon in both the EAM region and the INM region. The results suggest an important role of thermal processes on the establishment of the Asian monsoon. The contributors to the upper tropospheric warming over the EAM region are the strong horizontal warm advection and the diabetic heating against the adiabatic cooling due to upward motion. In the INM region, strong adiabatic heating by subsidence and the diabetic heating are major warming processes against the strong horizontal cold advection related to the persistent northwestlies to the southwestern periphery of the Tibetan Plateau. It appears that the early or late establishment of the Asian summer monsoon is not directly related to the differential warming near the surface.

He, H.↗
NASA NTRS2006

Heat Treatment of Friction-Stir-Welded 7050 Aluminum Plates

A method of heat treatment has been developed to reverse some of the deleterious effects of friction stir welding of plates of aluminum alloy 7050. This alloy is considered unweldable by arc and high-energy-density beam fusion welding processes. The alloy can be friction stir welded, but as-welded workpieces exhibit low ductility, low tensile and yield strengths, and low resistance to stress corrosion cracking. Heat treatment according to the present method increases tensile and yield strengths, and minimizes or eliminates stress corrosion cracking. It also increases ductility. This method of heat treatment is a superior alternative to a specification-required heat treatment that caused the formation of large columnar grains, which are undesired. Workpieces subjected to the prior heat treatment exhibited elongations <2 percent, and standard three-point bend specimens shattered. The development of the present heat treatment method was guided partly by the principles that (1) by minimizing grain sizes and relieving deformation stresses, one can minimize or eliminate stress corrosion cracking and (2) the key to maximizing strength and eliminating residual stresses is to perform post-weld solution heating for as long a time as possible while incurring little or no development of large columnar grains in friction stir weld nuggets. It is necessary to perform some of the solution heat treatment (to soften the alloy and improve machine welding parameters) before welding. The following is an example of thickness- dependent pre- and post-weld heat treatments according to the present method: For plates 0.270 in. (approx.6.86 mm) thick milled from plates 4.5 in. (114.3 mm) thick, perform pre-weld solution heating at 890 F (477 C) for 1 hour, then cool in air. After friction stir welding, perform solution heating for 10 minutes, quench, hold at room temperature for 96 hours, then age at 250 F (121 C) for 5 hours followed by 325 F (163 C) for 27 hours.

Petter, George E.↗
DOE OSTI2024

A non-melting additive approach to structural repair of aluminum aircraft fastener holes

The damage to fastener holes in aerospace aluminum structures presents significant challenges for aircraft durability, and conventional bushing methods for repairing oversized holes often fall short due to the lack of metallurgical bonding and limited edge distance availability. This study investigates additive friction stir deposition, a non-melting additive process, as a viable alternative for the structural repair of aerospace fastener holes. The repair process, demonstrated on AA7050 (Al-Zn-Mg-Cu-Zr) hole structures, involves filling oversized holes with new material and machining to restore the original hole size. The repaired hole coupons are defect-free and exhibit good fatigue performance under fully reversed tension-compression loading (R = -1). At a nominal stress amplitude of 123.5 MPa, the average number of cycles to failure is 12,666 for unrepaired baseline coupons and 17,372 for effectively repaired coupons. Restoring complex geometries without compromising fatigue performance has been difficult in aerospace applications; this study marks the first demonstration of additive repair that consistently outperforms the unrepaired baseline coupons. Notably, the result is achieved through a low-energy, cost-effective solution without the need for post-repair heat treatment. Except for a few outliers, the post-repair fatigue performance generally remains inferior to that of undamaged, pristine coupons, likely due to precipitate evolution in AA7050 caused by the thermomechanical processing nature of additive friction stir deposition. This evolution weakens the repair region and the adjacent base material, leading to faster crack initiation and growth compared to the properly aged base material, AA7050-T7451.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Low voltage AC electroluminescence in silicon MOS capacitors

Low power silicon based light source and detector are attractive for on-chip photonic circuits given their ease of process integration. However, conventional silicon light emitting diodes emit photons with energies near the band edge where the corresponding silicon photodetectors lack responsivity. On the other hand, previously reported hot carrier electroluminescent silicon devices utilizing a reverse biased diode require high operating voltages. Here, we investigate hot carrier electroluminescence in silicon metal–oxide–semiconductor capacitors operating under transient voltage conditions. Further, during each voltage transient, large energy band bending is created at the edge of the source contact, much larger than what is achievable at a steady state. As a result, electrons and holes are injected efficiently from a single source contact into the silicon channel at the corresponding voltage transient, where they subsequently undergo impact ionization and phonon-assisted interband recombination. Notably, we show low voltage operation down to 2.8 V by using a 20 nm thick high-κ gate dielectric. We show further voltage scaling is possible by reducing the gate dielectric thickness, thus presenting a low voltage platform for silicon optoelectronic integrated circuits.

42 ENGINEERING↗
DOE OSTI2026

APS upgrade: Commissioning the world’s first light source based on swap-out injection

The Advanced Photon Source (APS) has recently completed a major upgrade, replacing its 25-year-old storage ring with a cutting-edge hybrid seven-bend achromat lattice enhanced by six additional reverse bends. The new design achieves a natural emittance of 42 pm-rad, enabling the production of X-rays up to 500 times brighter than those generated by the original APS. A key innovation of the upgrade is the implementation of a swap-out injection scheme, which replaces entire depleted bunches instead of performing traditional top-up injection. This approach enables on-axis injection to accommodate for the reduced dynamic aperture resulting from strong focusing. This paper outlines the commissioning process, shares initial operating experience with swap-out injection, and presents performance data for new systems such as the bunch-lengthening cavity.

Sajaev, Vadim [Argonne, PHY]↗
NASA NTRS1955

An Experimental Study of Applied Ground Loads in Landing

Results are presented of an experimental investigation made of the applied ground loads and the coefficient of friction between the tire and the ground during the wheel spin-up process in impacts of a small landing gear under controlled conditions on a concrete landing strip in the Langley impact basin. The basic investigation included three major phases: impacts with forward speed at horizontal velocities up to approximately 86 feet per second, impacts with forward speed and reverse wheel rotation to simulate horizontal velocities up to about 273 feet per second, and spin-up drop tests for comparison with the other tests. In addition to the basic investigation, supplementary tests were made to evaluate the drag-load alleviating effects of prerotating the wheel before impact so as to reduce the relative velocity between the tire and ground. In the presentation of the results, an attempt has been made to interpret the experimental data so as to obtain some insight into the physical phenomena involved in the wheel spin-up process.

Milwitzky, Benjamin↗
DOE OSTI2020

Subtle changes in hydrogen bond orientation result in glassification of carbon capture solvents

Water-lean CO 2 capture solvents show promise for more efficient and cost-effective CO 2 capture, although their long-term behavior in operation has yet to be well studied. New observations of extended structure solvent behavior show that some solvent formulations transform into a glass-like phase upon aging at operating temperatures after contact with CO 2 . The glassification of a solvent would be detrimental to a carbon-capture process due to plugging of infrastructure, introducing a critical need to decipher the underlying principles of this phenomenon to prevent it from happening. In this work, we present the first integrated theoretical and experimental study to characterize the nano-structure of metastable and glassy states of an archetypal single-component alkanolguanidine carbon-capture solvent and assess how minute changes in atomic-level interactions convert the solvent between metastable and glass-like states. Small-angle neutron scattering and neutron diffraction coupled with small- and wide-angle X-ray scattering analysis demonstrate that minute structural changes in solution precipitae reversible aggregation of zwitterionic alkylcarbonate clusters in solution. Our findings indicate that our test system, an alkanolguanidine, exhibits a first-order phase transition, similar to a glass transition, at approximately 40 °C—close to the operating absorption temperature for post-combustion CO 2 capture processes. We anticipate that these phenomena are not specific to this system, but are present in other classes of colvents as well. We discuss how molecular-level interactions can have vast implications for solvent-based carbon-capture technologies, concluding that fortunately in this case, glassification of water-lean solvents can be avoided as long as the solvent is run above its glass transition temperature.

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

Synthesizing Highly Crystalline Graphite Powder from Bulk Polyethylene Waste for Lithium-Ion Battery Anodes

Upcycling plastic waste into graphite can potentially be used, in conjunction with other methods, to manage existing waste materials and diversify graphite supply chains. However, synthesizing large quantities of crystalline graphite powder from plastic waste, particularly polyethylene (PE), remains a challenge because PE decomposes into light gases during thermal processing and simple methods do not exist at any appreciable size scale to address this challenge. In this work, a method is developed for air processing bulk forms of PE waste to create stable carbon char that does not readily decompose during high-temperature processing. This method employs solid additives in the form of salts, which are combined with the PE melt during air processing to increase the effective surface area of the melt and improve the oxygen-driven chemistry that stabilizes PE for high-temperature processing. After removal of the solid salt additives from the PE-derived char, it is converted into a highly crystalline bulk graphite powder using an Fe-based catalytic process. The PE-derived graphite anode in a lithium-ion coin cell showed a specific capacity of 345 mAh/g at 0.05C with an initial Coulombic efficiency of 87% and reversible capacity retention of ~100% at different current rates. It also showed a specific capacity of up to 313 mAh/g at 0.5 discharge/charge cycles per hour (0.5C) and Coulombic efficiency of 99.9% after 250 cycles, indicating excellent electrochemical performance as an anode material for lithium-ion batteries. This method illustrates that there are opportunities for upcycling large quantities of PE waste to produce graphite powders suitable for use in LIBs.

25 ENERGY STORAGE↗
DOE OSTI2023

Local cation ordering in compositionally complex Ruddlesden–Popper n = 1 oxides

The Ruddlesden–Popper (RP) layered perovskite structure is of great interest due to its inherent tunability, and the emergence and growth of the compositionally complex oxide (CCO) concept endows the RP family with further possibilities. Here, a comprehensive assessment of thermodynamic stabilization, local order/disorder, and lattice distortion was performed in the first two reported examples of lanthanum-deficient La n+1 B n O 3n+1 (n = 1, B = Mg, Co, Ni, Cu, Zn) obtained via various processing conditions. Chemical short-range order (CSRO) at the B-site and the controllable excess interstitial oxygen (δ) in RP-CCOs are uncovered by neutron pair distribution function analysis. Reverse Monte Carlo analysis of the data, Metropolis Monte Carlo simulations, and extended x-ray absorption fine structure analysis implies a modest degree of magnetic element segregation on the local scale. Further, ab initio molecular dynamics simulations results obtained from special quasirandom structure disagree with experimentally observed CSRO but confirm Jahn–Teller distortion of CuO 6 octahedra. These findings highlight potential opportunities to control local order/disorder and excess interstitial oxygen in layered RP-CCOs and demonstrate a high degree of freedom for tailoring application-specific properties. They also suggest a need for expansion of theoretical and data modeling approaches in order to meet the innate challenges of CCO and related high-entropy phases.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A rechargeable zinc-air battery based on zinc peroxide chemistry

When two is better than four Batteries based on the reaction of zinc and oxygen have been used for more than a century, but these have been primary (that is, nonrechargeable) cells. These batteries use an alkaline electrolyte and require a four-electron reduction of oxygen to water, which is a slow process. Sun et al. show that with the right choice of nonalkaline electrolyte, the battery can operate using a two-electron zinc-oxygen/zinc peroxide chemistry that is far more reversible. By making the electrolyte hydrophobic, water is excluded from the near surface of the cathode, thus preventing the four-electron reduction. These batteries also show higher energy density and better cycling stability. Science , this issue p. 46

Science & Technology - Other Topics↗