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At least 271 records · Page 15

Porous but Mechanically Robust All-Inorganic Antireflective Coatings Synthesized using Polymers of Intrinsic Microporosity

Herein, we introduce polymer of intrinsic microporosity 1 (PIM-1) to design single-layer and multilayered all-inorganic antireflective coatings (ARCs) with excellent mechanical properties. Using PIM-1 as a template in sequential infiltration synthesis (SIS), we can fabricate highly uniform, mechanically stable conformal coatings of AlO x with porosities of ~50% and a refractive index of 1.41 compared to 1.76 for nonporous AlO x that is perfectly suited for substrates commonly used in high-end optical systems or touch screens (e.g., sapphire, conductive glass, bendable glass, etc.). We show that such films can be used as a single-layer ARC capable of reduction of the Fresnel reflections of sapphire to as low as 0.1% at 500 nm being deposited only on one side of the substrate. We also demonstrate that deposition of the second layer with higher porosity using block copolymers enables the design of graded-index double-layered coatings. AlO x structures with just two layers and a total thickness of less than 200 nm are capable of reduction of Fresnel reflections under normal illumination to below 0.5% in a broad spectral range with 0.1% reflection at 700 nm. Additionally, and most importantly, we show that highly porous single-layer and graded-index double-layered ARCs are characterized by high hardness and scratch resistivity. The hardness and the maximum reached load were 7.5 GPa and 13 mN with a scratch depth of about 130 nm, respectively, that is very promising for the structures consisting of two porous AlO x layers with 50% and 85% porosities, correspondingly. Such mechanical properties of coatings can also allow their application as protective layers for other optical coatings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fast event-based electron counting for small-molecule structure determination by MicroED

Electron counting helped realize the resolution revolution in single-particle cryoEM and is now accelerating the determination of MicroED structures. Its advantages are best demonstrated by new direct electron detectors capable of fast (kilohertz) event-based electron counting (EBEC). This strategy minimizes the inaccuracies introduced by coincidence loss (CL) and promises rapid determination of accurate structures. We used the Direct Electron Apollo camera to leverage EBEC technology for MicroED data collection. Given its ability to count single electrons, the Apollo collects high-quality MicroED data from organic small-molecule crystals illuminated with incident electron beam flux densities as low as 0.01–0.045 e − /Å 2 /s. Under even the lowest flux density (0.01 e − /Å 2 /s) condition, fast EBEC data produced ab initio structures of a salen ligand (268 Da) and biotin (244 Da). Each structure was determined from a 100° wedge of data collected from a single crystal in as few as 50 s, with a delivered fluence of only ∼0.5 e − /Å 2 . Fast EBEC data collected with a fluence of 2.25 or 3.33 e − /Å 2 also facilitated a 1.5 Å structure of thiostrepton (1665 Da). While refinement of these structures appeared unaffected by CL, a CL adjustment applied to EBEC data further improved the distribution of intensities measured from the salen ligand and biotin crystals. However, CL adjustment only marginally improved the refinement of their corresponding structures, signaling the already high counting accuracy of detectors with counting rates in the kilohertz range. Overall, by delivering low-dose structure-worthy data, fast EBEC collection strategies open new possibilities for high-throughput MicroED.

EBEC↗

Effect of heat treatment paths on the aging and rejuvenation of metallic glasses

Here, this study explores the influence of heat treatment paths on the structural relaxation of metallic glasses (MGs) in the regime of fast dynamics. We create MG samples using various quenching rates, from 10 9 to 10 11 K/s, and expose these samples to near-T g heat treatments with assorted combinations of heating/cooling rates, from 5×10 10 to 5×10 12 K/s, and annealing durations, from 10 ps to 10 ns. Results show that the effect of the heating rate is intricately tied to the initial structure of the MG, while a decrease in the cooling rate invariably intensifies the aging process. Extending the annealing duration may induce either aging or rejuvenation, subject to the specific thermal history. To interpret these findings, we hypothesize that the memory effect, governed by the activation and annihilation of reversible and irreversible flow units, underpins the rejuvenation-aging competition in MGs. Moreover, we suggest viewing the cooling stage as an annealing phase controlled by gradient temperature and fine-tuning its rate to achieve the targeted active flow unit distributions. This study illuminates the role of fast dynamics during the glass relaxation process and offers practical strategies for tailoring heat treatments to optimize MG structures and mechanical performance.

36 MATERIALS SCIENCE↗

Stability Analysis of the Flow Over a Swept Forward-Facing Step Using PIV Base Flows

Step excrescences are a type of surface imperfection encountered on swept wings of commercial aircraft, commonly because accessibility requirements prevent creating the wing’s surface from a single panel. If the step height is too large, super-critical, the flow can undergo an early transition to turbulence, which can be highly detrimental for the performance of the wing. In the case of a forward-facing step on a swept wing in a low-disturbance environment, stationary crossflow vortices can develop a significant amplitude upstream of the step and hence dominate the structure of the boundary-layer flow over the step. The main goal of the present investigation is to illuminate the path to transition supported by the fascinatingly complex flow field in the direct downstream vicinity of a step with a super critical height. The high-resolution, stereographic Particle Image Velocimetry (PIV) measurement dataset presently available for this flow field provides a complete description of the laminar flow for the execution of BiGlobal stability analysis in a plane parallel to the step. Although the notorious sensitivity of stability results to the description of the base flow demands a very careful uncertainty analysis of those results, it is argued that this very fact can be leveraged to produce new insight into the supported perturbation dynamics. In performing the analysis, several unsteady mode families are discovered that display the explosive perturbation expected for early transition to be induced. In considering domain widths equal to an integer-multiple of the incident crossflow-vortex wavelength and analyzing an extent of 5 crossflow-vortex wavelengths parallel to the step, it is found that the stability results converge while increasing the domain width. It is demonstrated, moreover, that the results for the wider domains can be approximated by appropriately averaging the results on neighboring single-crossflow-vortex-wavelength domains covering the same region. Besides being useful for computational purposes, this observed property suggests interpreting the instability mechanism as a distorted primary mechanism rather than a “proper” secondary mechanism. This follows in the context of the secondary in-stability analysis of three-dimensional boundary layers, because the secondary mechanism is usually characterized by being localized in a pocket of strong shear, while the distorted primary mechanism typically has an infinite support in the direction parallel to the step. Even though the growth rates are found to be sensitive to the interrogation-window size inherent to the PIV post-processing procedure, the spatial structure of the eigenfunctions is found to be relatively insensitive. Lastly, the spatial structure of the eigenfunctions corresponding to all velocity components are matched with the shape functions determined by computing the Spectral Proper Orthogonal Decomposition (SPOD) of a time-resolved measurement of the perturbation content.

forward-facing step↗

Noncentrosymmetric Triangular Magnet CaMnTeO 6 : Strong Quantum Fluctuations and Role of s 0 versus s 2 Electronic States in Competing Exchange Interactions

Abstract Noncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO 6 is created based on careful chemical and physical considerations. The model material displays competing magnetic interactions and features nonlinear optical responses with the capability of generating coherent photons. The incommensurate magnetic ground state of CaMnTeO 6 with an unusually large spin rotation angle of 127°(1) indicates that the anisotropic interlayer exchange is strong and competing with the isotropic interlayer Heisenberg interaction. The moment of 1.39(1) µB , extracted from low‐temperature heat capacity and neutron diffraction measurements, is only 46% of the expected value of the static moment 3 µB . This reduction indicates the presence of strong quantum fluctuations in the half‐integer spin S = 3/2 CaMnTeO 6 magnet, which is rare. By comparing the spin‐polarized band structure, chemical bonding, and physical properties of AMnTeO 6 ( A = Ca, Sr, Pb), how quantum‐chemical interpretation can illuminate insights into the fundamentals of magnetic exchange interactions, providing a powerful tool for modulating spin dynamics with atomically precise control is demonstrated.

36 MATERIALS SCIENCE↗

Aberration-corrected STEM imaging of 2D materials: Artifacts and practical applications of threefold astigmatism

High-resolution scanning transmission electron microscopy (HR-STEM) with spherical aberration correction enables researchers to peer into two-dimensional (2D) materials and correlate the material properties with those of single atoms. The maximum intensity of corrected electron beam is confined in the area having sub-angstrom size. Meanwhile, the residual threefold astigmatism of the electron probe implies a triangular shape distribution of the intensity, whereas its tails overlap and thus interact with several atomic species simultaneously. The result is the resonant modulation of contrast that interferes the determination of phase transition of 2D materials. Here, we theoretically reveal and experimentally determine the origin of resonant modulation of contrast and its unintended impact on violating the power-law dependence of contrast on coordination modes between transition metal and chalcogenide atoms. The finding illuminates the correlation between atomic contrast, spatially inequivalent chalcogenide orientation, and residual threefold astigmatism on determining the atomic structure of emerging 2D materials.

36 MATERIALS SCIENCE↗

The extended red emission filaments in NGC 2023

Using the photographic unsharp masking technique and image cancellation, the high-frequency surface brightness fluctuations in the reflection nebula NGC 2023 have been imaged over 406 arcsec x 510 arcsec field. Maps with 1 arcsec resolution, centered on the illuminating star HD 37903, are presented for the photometric B and R bands. A system of narrow filamentary structures observable only in the R band are identified as extended red emission (ERE) features. These features are not associated with any apparent density enhancements in the nebula. Arguments are presented which link the ERE filaments to regions within the nebula where photodissociation of molecular hydrogen occurs.

Witt, Adolf N.↗

Deep WFPC2 and Ground-Based Imaging of a Complete Sample of 3C Quasars and Galaxies

We present the results of an HST and ground-based imaging study of a complete 3C sample of zeta approx. equal to 1 sources, comprising 5 quasars and 5 radio galaxies. We have observed all of the sample in essentially line-free bands at rest-frame 0.33 micrometers with WFPC2 and in rest-frame 1 micrometer images from the ground; we have also observed most of the sample in narrow-band filters centered on [O II]. We resolve continuum structure around all of our quasars in the high-resolution WFPC2 images, and in four of the five ground-based K' images. All of the quasars have some optical continuum structure that is aligned with the radio axis. In at least 3 of these cases, some of this optical structure is directly coincident with a portion of the radio structure, including optical counterparts to radio jets in 3C212 and 3C245 and an optical counterpart to a radio lobe in 3C2. These are most likely due to optical synchrotron radiation, and the radio and optical spectral indices in the northern lobe of 3C2 are consistent with this interpretation. The fact that we see a beamed optical synchotron component in the quasars but not in the radio galaxies complicates both the magnitude and the alignment comparisons. Nonetheless, the total optical and K' flux densities of the quasar hosts are consistent with those of the radio galaxies within the observed dispersion in our sample. The distributions of K' flux densities of both radio galaxies and quasar hosts exhibit similar mean and dispersion to that found for other radio galaxies at this redshift, and the average host galaxy luminosity is equivalent to, or a little fainter than, L*. The formal determination of the alignment in the optical and infrared in the two subsamples yields no significant difference between the radio galaxy and quasar subsamples, and the quasars 3C 196 and 3C 336 have aligned continuum and emission-line structure that is probably not due to beamed optical synchrotron emission. Very blue and/or edge-brightened structures are present in some objects within the probable quasar opening angle; these are possibly the result of illumination effects from the active nucleus, i.e., scattered quasar light or photoionization. In 3C 212, we see an optical object that lies 3 min. beyond the radio lobe, but which looks morphologically quite similar to the radio lobe itself. This object is bright in the infrared and has a steep spectral gradient along its length. A striking, semi-circular arc seen associated with 3C 280 may possibly be a tidal tail from a companion, enhanced in brightness by scattering or photoionization. In the near-infrared, most of the radio galaxies have elliptical morphologies with profiles that are well-fit by de Vaucouleurs r(exp 1/4)-laws and colors that are consistent with an old stellar population. All components around the quasars have optical-infrared colors that are redder than or similar to the colors of their respective nuclei; this is more consistent with a stellar origin for the emission than with a dominant scattering contribution. From the correspondence between the total magnitudes in the galaxies and quasars and the detection of aligned components in the quasars, we conclude that this study provides general support for the unification of FR II radio galaxies and quasars. Some of the objects in the sample (e.g, 3C 212) have properties that may be difficult to explain with our current understanding of the nature of FR II radio sources and the alignment effect.

Ridgway, Susan E.↗

Thermoplastic Space Point Design (TSPD) Tall Tower Lunar Thermal Analysis

The Thermoplastics Development for Exploration Applications (TDEA) project seeks to advance NASA’s thermoplastic composites capabilities by developing structurally efficient joining solutions for large-scale space structures to support NASA’s future exploration missions. A key objective is to develop and understand advanced thermoplastic joining techniques relevant to space environments and applicable to unitized and/or reconfigurable composite structures. The TDEA project uses NASA Langley’s Tall Lunar Tower (TLT) concept as a target application for the design and development of in-space assembled thermoplastic composites. TLT is a 50-meter-tall tower constructed on the lunar surface near the south pole. The tower’s height at this location on the moon allows for extended durations of incident solar flux which can be used to generate power via photovoltaic arrays. The thermal environment present on lunar south pole represents a challenging environment for any space-based asset. This study provides an overview of the analysis techniques used to determine the temperature extremes, gradients, and timelines of a tall composite tower over a one-year duration at the Shackleton Connecting Ridge. The developed thermal model includes tower and lunar surface elements with anisotropic and temperature-dependent material properties and incorporates a solar vector orbit with time-varying solar flux. Study topics include: a comparison between the effects of simplified lunar surface topologies on thermal results, prediction of surface temperature values versus Lunar Reconnaissance Orbiter (LRO) flight data, and tower structural-thermal deformation.

Lunar↗

Unraveling the Crystallization Kinetics of 2D Perovskites with Sandwich-Type Structure for High-Performance Photovoltaics

2D perovskite solar cells with high stability and high efficiency have attracted significant attention. A systematical static and dynamic structure investigation is carried out to show the details of 2D morphology evolution. A dual additive approach is used, where the synergy between an alkali metal cation and a polar solvent leads to high-quality 2D perovskite films with sandwich-type structures and vertical phase segregation. Such novel structure can induce high-quality 2D slab growth and reduce internal and surface defects, resulting in a high device efficiency of 16.48% with enhanced continuous illumination stability and improved moisture (55-60%) and thermal (85°C) tolerances. Transient absorption spectra reveal the carrier migration from low n to high n species with different kinetics. An [PbI 6 ] 4- octagon coalescence transformation mechanism coupled with metal and organic cations wrapped is proposed. By solvent vapor annealing, a recrystallization and reorientation of the 2D perovskite slabs occurs to form an ideal structure with improved device performance and stability.

36 MATERIALS SCIENCE↗

Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV)

The high morbidity and mortality associated with SARS-CoV-2 infection, the etiological agent of COVID-19, has had a major impact on global public health. Significant progress has been made in the development of an array of vaccines and biologics, however, the emergence of SARS-CoV-2 variants and breakthrough infections are an ongoing major concern. Furthermore, there is an existing paucity of small-molecule host and virus-directed therapeutics and prophylactics that can be used to counter the spread of SARS-CoV-2, and any emerging and re-emerging coronaviruses. Here, we describe herein our efforts to address this urgent need by focusing on the structure-guided design of potent broad-spectrum inhibitors of SARS-CoV-2 3C-like protease (3CL pro or Main protease), an enzyme essential for viral replication. The inhibitors exploit the directional effects associated with the presence of a gem-dimethyl group that allow the inhibitors to optimally interact with the S4 subsite of the enzyme. Several compounds were found to potently inhibit SARS-CoV-2 and MERS-CoV 3CL proteases in biochemical and cell-based assays. Specifically, the EC50 values of aldehyde 1c and its corresponding bisulfite adduct 1d against SARS-CoV-2 were found to be 12 and 10 nM, respectively, and their CC50 values were >50 μM. Furthermore, deuteration of these compounds yielded compounds 2c/2d with EC50 values 11 and 12 nM, respectively. Replacement of the aldehyde warhead with a nitrile (CN) or an α-ketoamide warhead or its corresponding bisulfite adduct yielded compounds 1g, 1e and 1f with EC50 values 60, 50 and 70 nM, respectively. High-resolution cocrystal structures have identified the structural determinants associated with the binding of the inhibitors to the active site of the enzyme and, furthermore, have illuminated the mechanism of action of the inhibitors. Overall, the high Safety Index (SI) (SI=CC50/EC50) displayed by these compounds suggests that they are well-suited to conducting further preclinical studies.

3-Chymotrypsin-like protease (3CLpro)↗

Visible-to-THz near-field nanoscopy

Optical microscopy has a key role in research, development and quality control across a wide range of scientific, technological and medical fields. However, diffraction limits the spatial resolution of conventional optical instruments to about half the illumination wavelength. A technique that surpasses the diffraction limit in the wide spectral range between visible and terahertz frequencies is scattering-type scanning near-field optical microscopy (s-SNOM). The basis of s-SNOM is an atomic force microscope in which the tip is illuminated with light from the visible to the terahertz spectral range. By recording the elastically tip-scattered light while scanning the sample below the tip, s-SNOM yields near-field optical images with a remarkable resolution of 10 nm, simultaneously with the standard atomic force microscopic topography image. This resolution is independent of the illumination wavelength, rendering s-SNOM a versatile nanoimaging and nanospectroscopy technique for fundamental and applied studies of materials, structures and phenomena. This Review presents an overview of the fundamental principles governing the measurement and interpretation of near-field contrasts and discusses key applications of s-SNOM. We also showcase emerging developments that enable s-SNOM to operate under various environmental conditions, including cryogenic temperatures, electric and magnetic fields, electrical currents, strain and liquid environments. Furthermore, all these recent developments broaden the applicability of s-SNOMs for exploring fundamental solid-state and quantum phenomena, biological matter, catalytic reactions and more.

Hillenbrand, Rainer [CIC nanoGUNE BRTA and Departm↗

Niche expansion for phototrophic sulfur bacteria at the Proterozoic–Phanerozoic transition

Significance Carotenoid pigments afford valuable clues about the chemistry and biology of both modern and ancient aquatic environments. This study reveals that fossil aromatic carotenoids—long considered biomarkers for anoxygenic, phototrophic sulfur bacteria and their physiological requirement for hydrogen sulfide and illumination—can also be biosynthesized by oxygen-producing cyanobacteria. Cyanobacterial aromatic carotenoids, which are distinct in their chemical structures and occurrence patterns, are the most commonly encountered compounds in Proterozoic marine settings as well as in lakes from more recent eras. In contrast, carotenoids diagnostic for green sulfur bacteria of the family Chlorobiaceae became both prevalent and abundant in marine paleoenvironments beginning in the Phanerozoic Eon. This expansion occurs as marine sulfate inventories increased toward the end of the Proterozoic Eon.

59 BASIC BIOLOGICAL SCIENCES↗

Modeling of thin, back-wall silicon solar cells

The performance of silicon solar cells with p-n junctions on the nonilluminated surface (i.e., upside-down or back-wall cells) was calculated. These structures consisted of a uniformly shaped p-type substrate layer, a p(+)-type field layer on the front (illuminated) surface, and a shallow, n-type junction on the back (nonilluminated) surface. A four-layer solar cell model was used to calculate efficiency, open-circuit voltage, and short-circuit current. The effect on performance of p-layer thickness and resistivity was determined. The diffusion length was varied to simulate the effect of radiation damage. The results show that peak initial efficiencies greater than 15 percent are possible for cell thicknesses or 100 micrometers or less. After 10 years of radiation damage in geosynchronous orbit, thin (25 to 50 micrometers thick) cells made from 10 to 100 ohm cm material show the smallest decrease (approximately 10 percent) in performance.

Baraona, C. R.↗

Microwave Transmitter With Multimode Output Section

Output-waveguide structure transports 400 kW of continuous-wave signal power at 34.5 GHz. Transmitter generates 400 kW of continuous-wave (CW) signal power. Main feature of conceptual design of this microwave transmitter is output section. Output waveguide structure includes mode converter, directional coupler, polarization monitor, and corrugated overmoded output section. Output directional pattern suitable for antenna illumination without flared feedhorn.

Hoppe, Daniel J.↗

Electron irradiation effects in epitaxial InP solar cells

Performance data for InP-based solar cells after irradiation with 1-MeV electrons up to a fluence of 1 x 1016 e/cm2 are presented. Three InP cell structures are considered. Two of these have epitaxially grown active regions, these being a homojunction design and in ITO/InP structure. These are compared with ITO/InP cells without the epitaxial base region. The cell parameter variations, the influence of illumination during irradiation, and the effect on cell spectral response and capacitance measurements are discussed. Substantial performance recovery after thermal annealing at 90 C is reported.

Pearsall, N. M.↗

Forest Biomass Mapping From Lidar and Radar Synergies

The use of lidar and radar instruments to measure forest structure attributes such as height and biomass at global scales is being considered for a future Earth Observation satellite mission, DESDynI (Deformation, Ecosystem Structure, and Dynamics of Ice). Large footprint lidar makes a direct measurement of the heights of scatterers in the illuminated footprint and can yield accurate information about the vertical profile of the canopy within lidar footprint samples. Synthetic Aperture Radar (SAR) is known to sense the canopy volume, especially at longer wavelengths and provides image data. Methods for biomass mapping by a combination of lidar sampling and radar mapping need to be developed. In this study, several issues in this respect were investigated using aircraft borne lidar and SAR data in Howland, Maine, USA. The stepwise regression selected the height indices rh50 and rh75 of the Laser Vegetation Imaging Sensor (LVIS) data for predicting field measured biomass with a R(exp 2) of 0.71 and RMSE of 31.33 Mg/ha. The above-ground biomass map generated from this regression model was considered to represent the true biomass of the area and used as a reference map since no better biomass map exists for the area. Random samples were taken from the biomass map and the correlation between the sampled biomass and co-located SAR signature was studied. The best models were used to extend the biomass from lidar samples into all forested areas in the study area, which mimics a procedure that could be used for the future DESDYnI Mission. It was found that depending on the data types used (quad-pol or dual-pol) the SAR data can predict the lidar biomass samples with R2 of 0.63-0.71, RMSE of 32.0-28.2 Mg/ha up to biomass levels of 200-250 Mg/ha. The mean biomass of the study area calculated from the biomass maps generated by lidar- SAR synergy 63 was within 10% of the reference biomass map derived from LVIS data. The results from this study are preliminary, but do show the potential of the combined use of lidar samples and radar imagery for forest biomass mapping. Various issues regarding lidar/radar data synergies for biomass mapping are discussed in the paper.

Sun, Guoqing↗

Study of the Residual Background Events in Ground Data from the ASTRO-HSXS Microcalorimeter

The measured instrumental background of the XRS calorimeter spectrometer of Suzaku had several sources, including primary cosmic rays and secondary particles interacting with the pixels and with the silicon structure of the array. Prior to the launch of Suzaku, several data sets were taken without x-ray illumination to study the characteristics and timing of background signals produced in the array and anti-coincidence detector. Even though the source of the background in the laboratory was different from that in low-earth orbit (muons and environmental gamma-rays on the ground versus Galactic cosmic-ray (GCR) protons and alpha particles in space), the study of correlations and properties of populations of rare events was useful for establishing the preliminary screening parameters needed for selection of good science data. Sea-level muons are singly charged minimum-ionizing particles, like the GCR protons, and thus were good probes of the effectiveness of screening via the signals from the anti-coincidence detector. Here we present the first analysis of the on-ground background of the SXS calorimeter of Astro-H. On XRS, the background prior to screening was completely dominated by coincident events on many pixels resulting from the temperature pulse arising from each large energy deposition (greater than 200 keV) into the silicon frame around the array. The improved heat-sinking of the SXS array compared with XRS eliminated these thermal disturbances, greatly reducing the measured count rate in the absence of illumination. The removal of these events has made it easier to study the nature of the residual background and to look for additional event populations. We compare the SXS residual background to that measured in equivalent ground data for XRS and discuss these preliminary results.

ASTRO-H↗