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At least 1,423 records · Page 79

Coherent band-edge oscillations and dynamic longitudinal-optical phonon mode splitting as evidence for polarons in perovskites

The coherence of collective modes, such as phonons and polarons, and their modulation of electronic states is long sought in complex systems, which is a crosscutting issue in photovoltaics and quantum electronics. In photovoltaic cells and lasers based on metal halide perovskites, the presence of polarons, i.e., photocarriers dressed by the macroscopic motion of charged lattice, assisted by terahertz (THz) longitudinal-optical (LO) phonons, has been intensely studied yet is still debated. This may be key for explaining the remarkable properties of the perovskite materials, e.g., defect tolerance, long charge lifetimes, and diffusion lengths. In this work we use the intense single-cycle THz pulse with peak electric field up to E THz = 1000 kV/cm to drive coherent polaronic band-edge oscillations at room temperature in CH 3 NH 3 PbI 3 (MAPbI 3 ). We reveal the oscillatory behavior is dominated by a specific quantized lattice vibration mode at $ω$ LO ~ 4 THz, which is both dipole and momentum forbidden. THz-driven coherent polaron dynamics exhibits distinguishing features: room temperature coherent oscillations at ω LO longer than 1 ps in both single crystals and thin films, mode-selective modulation of different band-edge states assisted by electron-phonon interaction, and dynamic mode splitting at low temperature due to entropy and anharmonicity of organic cations. Our results demonstrate intense THz-driven coherent band-edge modulation is a powerful probe of electron-lattice coupling phenomena and polaronic quantum control in perovskites.

36 MATERIALS SCIENCE↗

Probing the electronic properties of gap states near the surface of n -SrTiO 3-δ / i -Si (001) heterojunctions with high sensitivity

We have measured soft x-ray resonant photoemission for the n–SrTiO 3–δ /i–Si⁡(001) (δ=~0.0003) hybrid semiconductor heterojunction with the goal of probing occupied electronic states in the band gap near the surface. By utilizing both swept energy, angle-integrated and fixed-energy, and angle-resolved spectroscopies, we identify the atomic and orbital character of the in-gap state as well as the different electronic phases that contribute to it. Specifically, we isolate the state associated with trapped charge on the n–SrTiO 3–δ surface that causes surface depletion from the localized gap state resulting from electron correlation effects in the complex oxide. Using an x-ray energy close to select dipole allowed TiL 3 → 3⁢d x-ray absorption resonances results in a 40-fold increase in sensitivity. Furthermore, this feature makes photoemission possible when probing electrons from dopants at concentrations as low as a few hundredths of a percent.

36 MATERIALS SCIENCE↗

BIN1 protein isoforms are differentially expressed in astrocytes, neurons, and microglia: neuronal and astrocyte BIN1 are implicated in tau pathology

Background: Identified as an Alzheimer’s disease (AD) susceptibility gene by genome wide-association studies, BIN1 has 10 isoforms that are expressed in the Central Nervous System (CNS). The distribution of these isoforms in different cell types, as well as their role in AD pathology still remains unclear. Methods: Utilizing antibodies targeting specific BIN1 epitopes in human post-mortem tissue and analyzing mRNA expression data from purified microglia, we identified three isoforms expressed in neurons and astrocytes (isoforms 1, 2 and 3) and four isoforms expressed in microglia (isoforms 6, 9, 10 and 12). The abundance of selected peptides, which correspond to groups of BIN1 protein isoforms, was measured in dorsolateral prefrontal cortex, and their relation to neuropathological features of AD was assessed. Results: Peptides contained in exon 7 of BIN1’s N-BAR domain were found to be significantly associated with ADrelated traits and, particularly, tau tangles. Decreased expression of BIN1 isoforms containing exon 7 is associated with greater accumulation of tangles and subsequent cognitive decline, with astrocytic rather than neuronal BIN1 being the more likely culprit. These effects are independent of the BIN1 AD risk variant. Conclusions: Exploring the molecular mechanisms of specific BIN1 isoforms expressed by astrocytes may open new avenues for modulating the accumulation of Tau pathology in AD. Keywords: BIN1 isoforms, Alzheimer’s disease, Amyloid, Tau, Microglia, Astrocytes, Neurons

Taga, Mariko↗

Isolation and characterization of IgG3 glycan-targeting antibodies with exceptional cross-reactivity for diverse viral families

Broadly reactive antibodies that target sequence-diverse antigens are of interest for vaccine design and monoclonal antibody therapeutic development because they can protect against multiple strains of a virus and provide a barrier to evolution of escape mutants. Using LIBRA-seq (linking B cell receptor to antigen specificity through sequencing) data for the B cell repertoire of an individual chronically infected with human immunodeficiency virus type 1 (HIV-1), we identified a lineage of IgG3 antibodies predicted to bind to HIV-1 Envelope (Env) and influenza A Hemagglutinin (HA). Two lineage members, antibodies 2526 and 546, were confirmed to bind to a large panel of diverse antigens, including several strains of HIV-1 Env, influenza HA, coronavirus (CoV) spike, hepatitis C virus (HCV) E protein, Nipah virus (NiV) F protein, and Langya virus (LayV) F protein. We found that both antibodies bind to complex glycans on the antigenic surfaces. Antibody 2526 targets the stem region of influenza HA and the N-terminal domain (NTD) region of SARS-CoV-2 spike. A crystal structure of 2526 Fab bound to mannose revealed the presence of a glycan-binding pocket on the light chain. Antibody 2526 cross-reacted with antigens from multiple pathogens and displayed no signs of autoreactivity. These features distinguish antibody 2526 from previously described glycan-reactive antibodies. Further study of this antibody class may aid in the selection and engineering of broadly reactive antibody therapeutics and can inform the development of effective vaccines with exceptional breadth of pathogen coverage.

Microbiology↗

The Very High n Rydberg Series of Ar^16+ in Alcator C-Mod Tokamak Plasmas

X-ray transitions of the very high-n Rydberg series in Ar^16+ have been observed from Alcator C-Mod tokamak plasmas. Individual emission lines up to 1s16p - 1s^2 have been resolved and the central chord line brightnesses with principal quantum number n between 7 and 16 are generally found to decay as 1/n^alpha, with alpha slightly larger than 3. In the plasma periphery, emission from 1s9p - 1s^2 and 1s10p - 1s^2 are found to be significantly enhanced relative to this decrease, indicative of selected population of these levels through charge exchange between background neutral deuterium in the ground state and Ar^17+. An unresolved feature between the wavelengths of 1s27p - 1s^2 and 1s30p - 1s^2 is also present, which arises through charge exchange with neutral deuterium in the n^* = 3 excited state. The brightnesses of transitions populated by charge exchange are spatially up/down asymmetric, with an excess on the side of the magnetic surface X-point. The relative brightness of the unresolved very high-n feature compared to 1s7p - 1s^2 is found to increase with electron temperature and decrease with electron density. Simulations of line emission just on the long wavelength side of the Ar^16$ ionization limit indicate that the principal quantum number decay exponent is closer to alpha = 4 at very high n. The brightness dependence on n below 16 is in excellent agreement with calculations from the Flexible Atomic Code package.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Determination of plasma parameters from soft X-ray images for coronal holes /open magnetic field configurations/ and coronal large-scale structures /extended closed-field configurations/

In connection with high-quality solar soft X-ray images the 'quiet' features of the inner corona have been separated into two sharply different components, including the strongly reduced emission areas or coronal holes (CH) and the extended regions of looplike emission features or large-scale structures (LSS). Particular central meridian passage observations of the prominent CH1 on August 21, 1973, are selected for a quantitative study. Histogram photographic density distributions for full-disk images at other central meridian passages of CH 1 are also presented, and the techniques of converting low photographic density data to deposited energy are discussed, with particular emphasis on the problems associated with the CH data.

Maxson, C. W.↗

Definition study for variable cycle engine testbed engine and associated test program

The product/study double bypass variable cycle engine (VCE) was updated to incorporate recent improvements. The effect of these improvements on mission range and noise levels was determined. This engine design was then compared with current existing high-technology core engines in order to define a subscale testbed configuration that simulated many of the critical technology features of the product/study VCE. Detailed preliminary program plans were then developed for the design, fabrication, and static test of the selected testbed engine configuration. These plans included estimated costs and schedules for the detail design, fabrication and test of the testbed engine and the definition of a test program, test plan, schedule, instrumentation, and test stand requirements.

Vdoviak, J. W.↗

Design, implementation, and results of LACIE field research

The capability to acquire, process, and interpret remotely sensed multispectral measurements of the energy reflected and emitted from crops, soils, and other Earth surface features is considered. The LACIE Field Measurements Project is described including project objectives, the experimental approach, the data acquisition program, and selected results based on field data. The key accomplishments and results of the experiment and recommendations for future field research are summarized.

Bauer, M. E.↗

Requirements and test results for the qualification of thermal control coatings

Paint type coatings are often used as engineering materials in critical satellite temperature control applications. The functional features of coatings used for temperature control purposes must remain stable throughout the satellite manufacturing process and the satellite mission. The selection of a particular coating depends on matching coating characteristics to mission requirements. The use of paint coatings on satellites, although having an extensive history, requires that the paint be qualified to each application on an individual basis. Thus, the qualification process through testing serves to ensure that paint coatings as engineering materials will fulfill design requirements.

Brzuskiewicz, J. E.↗

The Inner Magnetospheric Imager (IMI): Instrument heritage and orbit viewing analysis

For the last two years an engineering team in the Program Development Office at MSFC has been doing design studies for the proposed Inner Magnetospheric Imager (IMI) mission. This team had a need for more information about the instruments that this mission would carry so that they could get a better handle on instrument volume, mass, power, and telemetry needs as well as information to help assess the possible cost of such instruments and what technology development they would need. To get this information, an extensive literature search was conducted as well as interviews with several members of the IMI science working group. The results of this heritage survey are summarized below. There was also a need to evaluate the orbits proposed for this mission from the stand point of their suitability for viewing the various magnetospheric features that are planned for this mission. This was accomplished by first, identifying the factors which need to be considered in selecting an orbit, second, translating these considerations into specific criteria, and third, evaluating the proposed orbits against these criteria. The specifics of these criteria and the results of the orbit analysis are contained in the last section of this report.

Wilson, Gordon R.↗

Rigid lightweight optical bench for a spaceborne FUV spatial heterodyne interferometer

Requirements for spaceflight optical instruments usually dictate that for the structures be rigid, lightweight, and thermally stable. In addition, for interferometric far ultraviolet (FUV) spectrometers, the requirements for torsional deflection are more severe than with conventional spectrometers. To meet the challenge for rigid and lightweight optical instruments, this paper explores the design of a high-stiffness structure for the support of an FUV spatial heterodyne interferometer where the torsional deflection of the instrument is on the order of 10 arc seconds. The structure is based on use of a thin, hollow section beam with weight-relieving between optical elements. The design also uses a modular and self-contained positioning mechanism that is removed after final optical alignment. Several specific material properties are presented as criteria for material selection. The parameters which affect the particular design requirements are identified with respect to the desired material properties and physical design features. Although large thin sections are susceptible to thermal gradients, this could be minimized by a trade-off for weight, where adequate margin exists. This paper describes the preliminary design for the structure and presents an analysis to verify compliance with the requirements.

Tom, James L.↗

Flow Solver for Incompressible 2-D Drive Cavity

This software solves the Navier-Stokes equations for the incompressible driven cavity flow problem. The code uses second-order finite differencing on a staggered grid using the Chorin projection method. The resulting intermediate Poisson equation is efficiently solved using the fast Fourier transform. Time stepping is done using fourth-order Runge-Kutta for stability at high Reynolds numbers. Features include check-pointing, periodic field snapshots, ongoing reporting of kinetic energy and changes between time steps, time histories at selected points, and optional streakline generation.

Kalb, Virginia L.↗

Joint Test Plan for Gas Dynamic Spray Technology Demonstration

Air Force Space Command (AFSPC) and NASA have similar missions, facilities, and structures located in similar harsh environments. Both are responsible for a number of facilities/structures with metallic structural and non-structural components in highly and moderately corrosive environments. Regardless of the corrosivity of the environment, all metals require periodic maintenance activity to guard against the insidious effects of corrosion and thus ensure that structures meet or exceed design or performance life. The standard practice for protecting metallic substrates in atmospheric environments is the use of an applied coating system. Current coating systems used across AFSPC and NASA contain volatile organic compounds (VOCs) and hazardous air pollutants (HAPs). These coatings are subject to environmental regulations at the Federal and State levels that limit their usage. In addition, these coatings often cannot withstand the high temperatures and exhaust that may be experienced by AFSPC and NASA structures. In response to these concerns, AFSPC and NASA have approved the use of thermal spray coatings (TSCs). Thermal spray coatings are extremely durable and environmentally friendly coating alternatives, but utilize large cumbersome equipment for application that make the coatings difficult and time consuming to repair. Other concerns include difficulties coating complex geometries and the cost of equipment, training, and materials. Gas Dynamic Spray (GDS) technology (also known as Cold Spray) will be evaluated as a smaller, more maneuverable repair method as well as for areas where thermal spray techniques are not as effective. The technology can result in reduced maintenance and thus reduced hazardous materials/wastes associated with current processes. Thermal spray and GDS coatings also have no VOCs and are environmentally preferable coatings. To achieve a condition suitable for the application of a coating system, including GDS coatings, the substrate must undergo some type of surface preparation and/or depainting operation to ensure adhesion of the new coating system. The GDS unit selected for demonstration has a powder feeding system that can be used for surface preparation or coating application. The surface preparation feature will also be examined. The primary objective of this effort is to demonstrate GDS technology as a repair method for TSCs. The project will also determine the optimal GDS coating thickness for acceptable performance. Successful completion of this project will result in approval of GDS technology as a repair method for TSCs at AFSPC and NASA installations and will improve corrosion protection at critical systems, facilitate easier maintenance activity, extend maintenance cycles, eliminate flight hardware contamination, and reduce the amount of hazardous waste generated.

Lewis, Pattie↗

GRCop-42 Development and Hot-fire Testing Using Additive Manufacturing Powder Bed Fusion for Channel-Cooled Combustion Chambers

GRCop-42 is a high conductivity, high-strength dispersion strengthened copper-alloy for use in high heat flux applications such as liquid rocket engine combustion devices. This alloy is part of the family of NASA-developed GRCop, copper-chrome-niobium alloys. GRCop alloys were developed for harsh environments specific to regeneratively-cooled combustion chambers and nozzles with good oxidation resistance. Significant development was completed on the GRCop-84 and GRCop-42 alloys in the extruded wrought form demonstrating feasibility for combustion chambers. NASA has recently developed a process for additive manufacturing, specifically Powder Bed Fusion (PBF) or Selective Laser Melting (SLM), of GRCop-42 to establish parameters, characterize the material, and complete testing of components with complex internal features. This evolution of the GRCop-42 was based on the successful predecessor development work using GRCop-84 with the motivation of establishing a new copper-alloy option for use in NASA, government, and industry programs with SLM. A few advantages have been shown with the GRCop-42 that include higher conductivity and faster build speeds over the GRCop-84, and a simplified powder supply chain. Initial property development has shown that it is possible to produce high density builds with strengths equivalent to wrought GRCop-42 and a conductivity greater than GRCop-84. The GRCop-42 has completed process development and initial properties have been established. Several demonstrator combustion chambers have also been fabricated with the SLM GRCop-42 that include integral channels and closeouts. Additional test units have been fabricated and are completing substantial hot-fire testing to demonstrate performance of the material, process, and design.

Gradl, Paul R.↗

Hydrogenation of polycyclic aromatic hydrocarbons as a factor affecting the cosmic 6.2 micron emission band

While many of the characteristics of the cosmic unidentified infrared (UIR) emission bands observed for interstellar and circumstellar sources within the Milky Way and other galaxies, can be best attributed to vibrational modes of the variants of the molecular family known as polycyclic aromatic hydrocarbons (PAH), there are open questions that need to be resolved. Among them is the observed strength of the 6.2 micron (1600 cm(-1)) band relative to other strong bands, and the generally low strength for measurements in the laboratory of the 1600 cm(-1) skeletal vibration band of many specific neutral PAH molecules. Also, experiments involving laser excitation of some gas phase neutral PAH species while producing long lifetime state emission in the 3.3 micron (3000 cm(-1)) spectral region, do not result in significant 6.2 micron (1600 cm(-1)) emission. A potentially important variant of the neutral PAH species, namely hydrogenated-PAH (H(N)-PAH) which exhibit intriguing spectral correlation with interstellar and circumstellar infrared emission and the 2175 A extinction feature, may be a factor affecting the strength of 6.2 micron emission. These species are hybrids of aromatic and cycloalkane structures. Laboratory infrared absorption spectroscopy augmented by density function theory (DFT) computations of selected partially hydrogenated-PAH molecules, demonstrates enhanced 6.2 micron (1600 cm(-1)) region skeletal vibration mode strength for these molecules relative to the normal PAH form. This along with other factors such as ionization or the incorporation of nitrogen or oxygen atoms could be a reason for the strength of the cosmic 6.2 micron (1600 cm(-1)) feature.

Cosmic Dust/analysis↗

Data-Driven Modeling and Optimization of Building Energy Consumption: a Case Study

Installing sensors and Building Automation Systems (BAS) allows controlling the facility operations while generating data that can be analyzed for model development. This work focuses on data-driven modeling of the building to optimize energy consumption. The City of Orlando aims to reduce its energy consumption so, they provided us access to their BAS for data and studying the operation of its facilities. We selected a mid-size pilot building to conduct data analysis and modeling. We develop an Application Programming Interface (API) to login to the servers and scrape data. The scraped data contains features ranging from environmental conditions to equipment activity. This dataset is a time series so, it's handled in accordance and analyzed to investigate patterns and relations between data points that help choose parameters for predictive models for building and equipment. Finally, the models are optimized to reduce the energy consumption of the facility.

Grover, Divas↗

Anion Binding by Macrocyclic Receptors: Computational Landscape of 1:1 and 2:1 Stoichiometries

Macrocyclic receptors play a crucial role in supramolecular chemistry, enabling the selective binding of guest molecules through non-covalent interactions. This study investigates the anion binding properties of three shape-persistent macrocycles, triazolophane, cyanostar, and tricarb, each featuring preorganized cavities with polarized CH hydrogen bond donors. In the 1:1 binding stoichiometries, the macrocycles preferentially bind anions that fit inside their two-dimensional cavities, with this preference being more pronounced in solution. Specifically, the triazolophane favors smaller anions like chloride and bromide, while the larger cavities offered by cyanostar and tricarb macrocycles preferentially bind the larger iodide. For large, polyatomic anions (SCN − , BF$^{−}_{4}$, ClO$^{−}_{4}$, and PF$^{−}_{6}$), the macrocycles self-assemble to form stable 2:1 sandwich complexes, exhibiting stronger binding. This shift in selectivity highlights the versatility of the macrocycles, making them promising candidates for anion sensing and regulation with various complexation stoichiometries.

Che, Minwei [Indiana University, Bloomington, IN (↗

Emergent flat band and topological Kondo semimetal driven by orbital-selective correlations

Flat electronic bands are expected to show proportionally enhanced electron correlations, which may generate a plethora of novel quantum phases and unusual low-energy excitations. They are increasingly being pursued in d-electron-based systems with crystalline lattices that feature destructive electronic interference, where they are often topological. Such flat bands, though, are generically located far away from the Fermi energy, which limits their capacity to partake in the low-energy physics. Here we show that electron correlations produce emergent flat bands that are pinned to the Fermi energy. We demonstrate this effect within a Hubbard model, in the regime described by Wannier orbitals where an effective Kondo description arises through orbital-selective Mott correlations. Moreover, the correlation effect cooperates with symmetry constraints to produce a topological Kondo semimetal. Our results motivate a novel design principle for Weyl Kondo semimetals in a new setting, viz.d-electron-based materials on suitable crystal lattices, and uncover interconnections among seemingly disparate systems that may inspire fresh understandings and realizations of correlated topological effects in quantum materials and beyond.

74 ATOMIC AND MOLECULAR PHYSICS↗