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At least 1,369 records · Page 76

Electronic structure and magnetic tendencies of trilayer La 4 Ni 3 O 10 under pressure: Structural transition, molecular orbitals, and layer differentiation

Motivated by the recent observation of superconductivity in the pressurized trilayer Ruddlesden-Popper (RP) nickelate La 4 Ni 3 O 10 , we explore its structural, electronic, and magnetic properties as a function of hydrostatic pressure from first-principles calculations. We find that an orthorhombic (monoclinic)-to-tetragonal transition under pressure takes place concomitantly with the onset of superconductivity. The electronic structure of La 4 Ni 3 O 10 can be understood using a molecular trimer basis wherein n molecular subbands arise as the d z 2 orbitals hybridize strongly along the c axis within the trilayer. The magnetic tendencies indicate that the ground state at ambient pressure is formed by nonmagnetic inner planes and stripe-ordered outer planes that are antiferromagnetically coupled along the c axis, resulting in an unusual ↑, 0, ↓ stacking that is consistent with the spin density wave model previously suggested by neutron diffraction. Such a state is destabilized at the pressure where superconductivity arises. Despite the presence of d z 2 states at the Fermi level, the d x 2 –y 2 orbitals also play a key role in the electronic structure of La4Ni3O10. Finally, this active role of the d x 2 –y 2 states in the low-energy physics of the trilayer RP nickelate, together with the distinct electronic behavior of the inner and outer planes, resembles the physics of multilayer cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Three-Dimensional Analysis of Particle Distribution on Filter Layers inside N95 Respirators by Deep Learning

The global COVID-19 pandemic has changed many aspects of daily lives. Wearing personal protective equipment, especially respirators (face masks), has become common for both the public and medical professionals, proving to be effective in preventing spread of the virus. Nevertheless, a detailed understanding of respirator filtration-layer internal structures and their physical configurations is lacking. Here, we report three-dimensional (3D) internal analysis of N95 filtration layers via X-ray tomography. Using deep learning methods, we uncover how the distribution and diameters of fibers within these layers directly affect contaminant particle filtration. The average porosity of the filter layers is found to be 89.1%. Contaminants are more efficiently captured by denser fiber regions, with fibers <1.8 μm in diameter being particularly effective, presumably because of the stronger electric field gradient on smaller diameter fibers. This study provides critical information for further development of N95-type respirators that combine high efficiency with good breathability.

42 ENGINEERING↗

Measured response of a complex structure to supersonic turbulent boundary layers

Measurements of the response of a large frame-stringer panel excited by supersonic turbulent boundary layer are reported. The statistical description of the wall pressure fluctuations in terms of the mean flow parameters governing the turbulent boundary layer is given. These results can be used in the development of design criteria on the response of sidewall structure of a large airplane in supersonic flight, since both forcing field and structure are realistic. Results indicate the significant importance of the modal coupling and the acoustic damping. The acoustic damping plays a major role in the response of the structure.

Maestrello, L.↗

Expanding Space with Inflatable Softgoods: Roadmap for In-Space Manufacturing of Resilient Space Structures

Overview of inflatable softgoods and their emerging role in enabling large, resilient space habitats and infrastructure. It highlights the advantages of inflatable systems, such as exceptional packing efficiency and scalable habitable volume, while also addressing challenges related to outfitting, complex material behavior, structural design, manufacturing precision, and testing limitations. Core architectural elements of crewed inflatable habitats are described, along with shell layer composition, structural interfaces, and examples of conceptual habitat configurations for transit, lunar, and surface applications. The presentation concludes by outlining key technology shortfalls, including structural health monitoring, ultra‑high‑strength materials, lifetime performance, and integration strategies, emphasizing the need for continued development to support future in‑space manufacturing and exploration missions.

Habitat↗

Advanced Structured Adsorbent Architectures for Transformative Carbon Dioxide Capture Performance (Final Report)

Svante is a world leader at using solid sorbents for low-cost Carbon Dioxide (CO 2 ) capture, a technology which is recognized as critical in meeting the dual mandates of energy security/reliability and the mitigation of man-made CO 2 emissions. Svante has been developing proprietary adsorbent material compositions, forming them into structured laminates, developing and optimizing process cycles, and system design for efficient capture of CO 2 from post-combustion flue gases of thermal power plants and industrial facilities. The deployment of first-generation CO 2 capture technology has been significantly hampered by high costs and energy penalties, among other barriers. Second generation CO 2 capture technologies (including the Mark I variant of Svante’s Veloxotherm™ adsorption-based technology), utilizing single adsorbent architecture, show promise for reducing the barriers to deploying CO 2 capture plants in commercially meaningful numbers. The objective of this project was to evaluate the Recipient’s transformational (Mark-II) VeloxoTherm™ Technology via the development and bench-scale testing of an advanced structured adsorbent, including novel Bi-layer, laminated adsorbent structures and segmented beds. Svante selected, synthesized, and characterized tailored solid adsorbents for computational modeling, advanced structured adsorbent development, process simulations, and dynamic bench scale (~1-10 kg/day CO 2 captured) testing using an existing single-bed VeloxoTherm™ Station (VTS) coupled with a natural gas-fired boiler. Segmented beds used the in-house, multi-bed Process Demonstration Unit (PDU) to demonstrate key performance indicators (KPIs), such as recovery, product purity, regeneration energy, and the integrated system's productivity in lifetime analysis. Segmented beds were used at a 1 tonne per day (TPD) unit at an industrial site to provide bench-scale validation of performance in an industrial setting. Svante was developing and optimizing the post-combustion CO 2 adsorption technology architectures, including the Bi-layer and segmented laminated adsorbent structure design, integrated rapid cycle temperature swing adsorption (RC-TSA) cycle, flow path architecture, and adsorbent bed construction and packaging (including gas porting) to progress towards achievement of DOE’s Transformational CO 2 Capture goals of 95% CO 2 purity and a cost of electricity at least 30% lower than a supercritical Pulverized Coal (PC) power plant with CO 2 capture, or approximately $30 per tonne of CO 2 captured ready for demonstration by 2030. The main requirements to reach the DOE target cost of carbon capture below $30/MT using Rapid-Cycling Temperature Swing Adsorption (RC-TSA) are as follows: (1) Increased capacity at different CO 2 concentrations, (2) Increased sorbents cycle life, (3) Increased O 2 resistance, and (4) Decreased steam requirement to extract 1 kg of CO 2 .

20 FOSSIL-FUELED POWER PLANTS↗

Atomic Structure of Surface-Densified Phases in Ni-Rich Layered Compounds

In this work, we report the presence of surface-densified phases (β-Ni 5 O 8 , γ-Ni 3 O 4 , and δ-Ni 7 O 8 ) in LiNiO 2 (LNO)- and LiNi 0.8 Al 0.2 O 2 (LNA)-layered compounds by combined atomic level scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). These surface phases form upon electrochemical aging at high state of charge corresponding to a fully delithiated state. A unique feature of these phases is the periodic occupancy by Ni 2+ in the Li layer. This periodic Ni occupancy gives rise to extra diffraction reflections, which are qualitatively similar to those of the LiNi 2 O 4 spinel structure, but these surface phases have a lower Ni valence state and cation content than spinel. Furthermore, these experimental results confirm the presence of thermodynamically stable surface phases and provide new insights into the phenomena of surface phase formation in Ni-rich layered structures.

25 ENERGY STORAGE↗

Intermediate phases in sodium intercalation into MoS 2 nanosheets and their implications for sodium-ion batteries

Alkali metal ion intercalation into layered transition-metal dichalcogenide structures is a promising approach to make next generation rechargeable batteries for energy storage. It has been noted that the number of Na-ions which can be reversibly intercalated and extracted per MoS 2 is limited, and the chemical and electrochemical processes/mechanisms remain largely unknown, especially for nano-sized materials. Here, in this study, sodiation of MoS 2 nanosheets are studied by in-situ electron diffraction and the phase transformations in sodiation are identified with the aid of DFT calculations to reveal the reaction mechanism. Several thermodynamically stable/metastable structures are identified in the sodiation pathway of MoS 2 nanosheets, previously unnoticed in bulk MoS 2 . The gradual reduction of Mo 4+ upon Na-ion intercalation leads to a transition of the Mo-S polyhedron from a trigonal prism to an octahedron around 0.375 Na per MoS 2 inserted (i.e. Na 0.375 MoS 2 ). When the intercalated Na-content is larger than 1.75 per MoS 2 structural unit (i.e. Na 1.75 MoS 2 ), the MoS 2 layered structure collapses and the intercalation reaction is replaced by an irreversible conversion reaction with the formation of Na 2 S and metal Mo nanoparticles. The calculated sodiation pathways reproduce the experimental sodiation voltages. The current observations provide useful insights in developing sodium-ion batteries with high cycling stability.

25 ENERGY STORAGE↗

Development of sputtered techniques for thrust chambers

Techniques and materials were developed and evaluated for the fabrication and coating of advanced, long life, regeneratively cooled thrust chambers. Materials were analyzed as fillers for sputter application of OFHC copper as a closeout layer to channeled inner structures; of the materials evaluated, aluminum was found to provide the highest bond strength and to be the most desirable for chamber fabrication. The structures and properties were investigated of thick sputtered OFHC copper, 0.15 Zr-Cu, Al2O3,-Cu, and SiC-Cu. Layered structures of OFHC copper and 0.15 Zr-Cu were investigated as means of improving chamber inner wall fatigue life. The evaluation of sputtered Ti-5Al-2.5Sn, NASA IIb-11, aluminum and Al2O3-Al alloys as high strength chamber outer jackets was performed. Techniques for refurbishing degraded thrust chambers with OFHC copper and coating thrust chambers with protective ZrO2 and graded ZrO2-copper thermal barrier coatings were developed.

Mullaly, J. R.↗

The effect of a shallow low-viscosity zone on the mantle flow, the geoid anomalies and the geoid and depth-age relationships at fracture zones

A two-dimensional FEM is used to investigate the flow driven by the horizontal temperature gradient at a fracture zone and to calculate the resulting geoid and topography anomalies. Using a three-layered viscosity structure for the upper mantle, results are presented for the effects of varying: (1) the viscosity contrast between the fluid layers: (2) the Rayleigh number based on the viscosity of the bottom layer; and (3) the thickness of the low-viscosity channel. Good agreement is obtained with the results of geoid anomalies over the Udintsev fracture zone when the viscosity of the top layer is greater than one order of magnitude less than post-glacial rebound values.

Robinson, Elizabeth M.↗

Organometallic chemical vapor deposition and characterization of ZnGeP2/GaP multiple heterostructures on GaP substrates

The growth of ZnGeP2/GaP double and multiple heterostructures on GaP substrates by organometallic chemical vapor deposition is reported. These epitaxial films were deposited at a temperature of 580 C using dimethylzinc, trimethylgallium, germane, and phosphine as source gases. With appropriate deposition conditions, mirror smooth epitaxial GaP/ZnGeP2 multiple heterostructures were obtained on (001) GaP substrates. Transmission electron microscopy (TEM) and secondary ion mass spectroscopy (SIMS) studies of the films showed that the interfaces are sharp and smooth. Etching study of the films showed dislocation density on the order of 5x10(exp 4)cm(sup -2). The growth rates of the GaP layers depend linearly on the flow rates of trimethylgallium. While the GaP layers crystallize in zinc-blende structure, the ZnGeP2 layers crystallize in the chalcopyrite structure as determined by (010) electron diffraction pattern. This is the first time that multiple heterostructures combining these two crystal structures were made.

Xing, G. C.↗

Low-Outgassing Photogrammetry Targets for Use in Outer Space

A short document discusses an investigation of materials for photogrammetry targets for highly sensitive optical scientific instruments to be operated in outer space and in an outer-space-environment- simulating thermal vacuum chamber on Earth. A key consideration in the selection of photogrammetry-target materials for vacuum environments is the need to prevent contamination that could degrade the optical responses of the instruments. Therefore, in addition to the high levels and uniformity of reflectivity required of photogrammetry-target materials suitable for use in air, the materials sought must exhibit minimal outgassing. Commercially available photogrammetry targets were found to outgas excessively under the thermal and vacuum conditions of interest; this finding prompted the investigators to consider optically equivalent or superior, lower-outgassing alternative target materials. The document lists several materials found to satisfy the requirements, but does not state explicitly whether the materials can be used individually or must be combined in the proper sequence into layered target structures. The materials in question are an aluminized polyimide tape, an acrylic pressure- sensitive adhesive, a 500-A-thick layer of vapor-deposited aluminum, and spherical barium titanate glass beads having various diameters from 20 to 63 microns..

Gross, Jason N.↗

A case study of cumulus formation beneath a stratocumulus sheet: Its structure and effect on boundary layer budgets

On several occasions during the FIRE Marine Stratocumulus IFO off the California coast, small cumulus were observed to form during the morning beneath the main stratocumulus (Sc) deck. This occurs in the type of situation described by Turton and Nicholls (1987) in which there is insufficient generation of turbulent kinetic energy (TKE) from the cloudtop or the surface to sustain mixing throughout the layer, and a separation of the surface and cloud layers occurs. The build up of humidity in the surface layer allows cumuli to form, and the more energetic of these may penetrate back into the Sc deck, reconnecting the layers. The results presented were collected by the UKMO C-130 aircraft flying in a region where these small cumulus had grown to the extent that they had penetrated into the main Sc deck above. The structure of these penetrative cumulus are examined and their implications on the layer flux and radiation budget discussed.

Barlow, Roy W.↗

Structure of Cu/Ni Nanowires Obtained by Matrix Synthesis

The structure of layered Cu/Ni nanowires obtained by template synthesis in 100-nm channels of track membranes has been investigated by transmission and scanning electron microscopy. The phase composition and main structural features of individual nanowires are determined. It is shown that nanowires consist of alternating Ni (Fm3m) and Cu (Fm3m) layers with grains up to 100 nm in size. It is found that nanowires contain also copper oxide crystallites up to 20 nm in size. The elemental composition of individual layers and their mutual arrangement are determined.

36 MATERIALS SCIENCE↗

Use of passive scalar tagging for the study of coherent structures in the plane mixing layer

Data obtained from the numerical simulation of a 2-D mixing layer were used to study the feasibility of using the instantaneous concentration of a passive scalar for detecting the typical coherent structures in the flow. The study showed that this technique works quite satisfactorily and yields results similar to those that can be obtained by using the instantaneous vorticity for structure detection. Using the coherent events educed by the scalar conditioning technique, the contribution of the coherent events to the total turbulent momentum and scalar transport was estimated. It is found that the contribution from the typical coherent events is of the same order as that of the time-mean value. However, the individual contributions become very large during the pairing of these structures. The increase is particularly spectacular in the case of the Reynolds shear stress.

Ramaprian, B. R.↗

Optical sensor employing a refractive index engineered metal oxide material

An optical sensor device includes an optical waveguide portion having a core, the core having a first refractive index, and a functional material layer coupled to the optical fiber portion, the functional material layer being made of a metal oxide material, the functional material layer being structured to have a second refractive index, the second refractive index being less than the first refractive index. The functional material layer may be a nanostructure material comprising the metal oxide material with a plurality of holes or voids formed therein such that the functional material layer is caused to have the second refractive index.

36 MATERIALS SCIENCE↗

Optical sensor employing a refractive index engineered metal oxide material

An optical sensor device includes an optical waveguide portion having a core, the core having a first refractive index, and a functional material layer coupled to the optical fiber portion, the functional material layer being made of a metal oxide material, the functional material layer being structured to have a second refractive index, the second refractive index being less than the first refractive index. The functional material layer may be a nanostructure material comprising the metal oxide material with a plurality of holes or voids formed therein such that the functional material layer is caused to have the second refractive index.

Chen, Peng↗

The Solar-Stellar Connection (NAG5-6124: SOHO Guest Investigator Program)

The following is a final report from the SOHO Guest Investigator program to use the SUMER far-UV spectrometer to obtain imaging spectroscopy in support of the goals of the so-called "solar-stellar connection." In particular, a major emphasis was utilization of the long-slit time-resolved maps of the solar surface in bright far-UV emission lines to deduce how particular aspects of the temporally and spatially averaged line profiles trace back to individual structural features of the magnetically disturbed outer atmosphere; to help interpret the unresolved line profiles from high quality stellar observations (say, with the Space Telescope Imaging Spectrograph). The researchers served two tours of duty in the SOHO Operations Center as SUMER planners, during which time we conducted an extensive series of observing programs. These can be divided into three general categories: surface mapping, translimb spectroscopy, and active region diagnostics. We have analyzed some of the large volumes of data to the point where we have presented them in poster papers, and in invited papers at national and international meetings. Listed below are the titles of the preliminary publications we have written, including brief abstracts to indicate the main results. (1) Chromospheric structure and Dynamics-- Observations -- The chromosphere is a highly structured dynamic 'layer' of the solar outer atmosphere. Here, not only are the effects of mechanical heating first evident (moving upward in altitude from the deep photosphere), but also the amount of nonradiative energy deposited is far greater than in the albeit much hotter overlying transition region and corona. Further, the chromosphere is by far the thickest zone of the solar atmosphere with respect to the pressure scale height. A major goal of stellar astrophysics is to understand how the chromosphere is heated and why it adopts its peculiar structure. A cursory examination of solar filtergrams and high-resolution movies demonstrates that much of the chromospheric "action" must be occurring on fine spatial scales and short times; particularly in the cell interior transient brightenings, but also in the longer-lived network fragments. That regime of investigation is far removed from what one usually associates with "synoptic" measurements. Nevertheless, synoptic observations of chromospheric indices, filtergrams, and globally-averaged profile parameters not only can provide important insight concerning the crucial role of the cycle-variable part of the solar magnetic field; but they also can forge a key link with analogous measurements of the stars, where often the phenomena can be significantly exaggerated from the solar case, but high spatial resolution reconnaissance is not even a remote possibility. In addition to discussing the synoptic aspects of chromospheric structure and dynamics, I summarized new insights into the general problem of the solar chromosphere that have been obtained recently with the SUMER far-ultraviolet spectrometer on SOHO. (2) CO and the Temperature Structure of the Solar Atmosphere -- The surface layers of the Sun provide a crucial boundary condition for many of the processes that occur in the deep interior. The stratification of the outer solar atmosphere once was thought to be well understood. However, studies of thermally sensitive molecular absorptions in the infrared revealed puzzling anomalies. Strong lines of the CO fundamental vibration-rotation bands near 5 microns showed very cool temperatures at the extreme limb, and remarkable off-limb emissions extending well into the supposedly hot chromosphere. The conflicting pictures of the photosphere/chromosphere interface, from the widely separated wavelength regimes, has raised suspicions that those "layers" of the atmosphere are much more inhomogeneous than previously suspected. One proposal is that the low chromosphere is dominated by cool gas, the "COmosphere," which is threaded by a network of persistent small-scale hot magnetic filaments and occasionally disrupted by localized acoustic disturbances. The COmosphere is capped by the merged fields of the network elements in the chromospheric "canopy." (3) Translimb Spectroscopy with SOHO/SUMER -- We have used SUMER to obtain deep exposures of the 1300-1400 A spectrum, at the extreme limb and off-limb. Previous "translimb" studies in the thermal infrared had revealed remarkable extensions of cold material (T is approximately equal to 3000 K)-traced by carbon monoxide emission lines-into the heart of the hot chromosphere. A main objective of our program was to search for corresponding far-UV signatures of the "thermally-bifurcated" low chromosphere; for example, radiatively fluoresced emissions of the CO A-X 4th-positive system (collisional excitation would be negligible in cold gas). We conducted two separate observing programs with SUMER. Both made use of the 1 inch-diameter circular aperture, translated across the limb in the minimum motor step increments of 0."375, along the central meridian in the Northern polar coronal hole. The first program executed for nine hours beginning 19UT 25 Oct 1996. The full wavelength range was 1340-1400 A. It was recorded in two overlapping segments, placing key regions of the spectrum alternately on the KBr and bare parts of the detector, to help isolate 2nd-order features. Each segment was integrated for 500 s, and 32 pairs were obtained to span a 12" swath centered on the optical limb. The second program was conducted 00-09UT 01 Dec 1996. It consisted of a single wavelength setting (1300-1340 A) with exposure time 500 s, but twice the spatial coverage of the earlier series: 64 steps, for a total displacement of 24". The strong chromospheric resonance lines of atomic oxygen (1302-1305 A) and ionized carbon (1334-1335 A) were observed on the bare part of the MCP camera.

Ayres, Thomas R.↗

Ambient‐Pressure Relithiation of Degraded Li x Ni 0.5 Co 0.2 Mn 0.3 O 2 (0 < x < 1) via Eutectic Solutions for Direct Regeneration of Lithium‐Ion Battery Cathodes

Abstract With the rapid growth of the lithium‐ion battery (LIBs) market, recycling and re‐use of end‐of‐life LIBs to reclaim lithium (Li) and transition metal (TM) resources (e.g., Co, Ni), as well as eliminating pollution from disposal of waste batteries, has become an urgent task. Here, for the first time the ambient‐pressure relithiation of degraded LiNi 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) cathodes via eutectic Li + molten‐salt solutions is successfully demonstrated. Combining such a low‐temperature relithiation process with a well‐designed thermal annealing step, NCM523 cathode particles with significant Li loss (≈40%) and capacity degradation (≈50%) can be successfully regenerated to achieve their original composition and crystal structures, leading to effective recovery of their capacity, cycling stability, and rate capability to the levels of the pristine materials. Advanced characterization tools including atomic resolution electron microscopy imaging and electron energy loss spectroscopy are combined to demonstrate that NCM523's original layered crystal structure is recovered. For the first time, it is shown that layer‐to‐rock salt phase change on the surfaces and subsurfaces of the cathode materials can be reversed if lithium can be incorporated back to the material. The result suggests the great promise of using eutectic Li + molten–salt solutions for ambient‐pressure relithiation to recycle and remanufacture degraded LIB cathode materials.

Shi, Yang↗