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At least 667 records · Page 37

Engineered band structure for an enhanced performance on quantum dot-sensitized solar cells

A photon-to-current efficiency of 2.93% is received for the Mn-doped CdS (MCdS)-quantum dot sensitized solar cells (QDSSCs) using Mn:ZnO (MZnO) nanowire as photoanode. Hydrothermal synthesized MZnO are spin-coated on fluorine doped tin oxide (FTO) glass with P25 paste to serve as photoanode after calcinations. MCdS was deposited on the MZnO film by the successive ionic layer adsorption and reaction method. The long lived excitation energy state of Mn{sup 2+} is located inside the conduction band in the wide bandgap ZnO and under the conduction band of CdS, which increases the energetic overlap of donor and acceptor states, reducing the “loss-in-potential,” inhibiting charge recombination, and accelerating electron injection. The engineered band structure is well reflected by the electrochemical band detected using cyclic voltammetry. Cell performances are evidenced by current density-voltage (J-V) traces, diffuse reflectance spectra, transient PL spectroscopy, and incident photon to current conversion efficiency characterizations. Further coating of CdSe on MZnO/MCdS electrode expands the light absorption band of the sensitizer, an efficiency of 4.94% is received for QDSSCs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structural insights into the mechanism of overcoming Erm-mediated resistance by macrolides acting together with hygromycin-A

The ever-growing rise of antibiotic resistance among bacterial pathogens is one of the top healthcare threats today. Although combination antibiotic therapies represent a potential approach to more efficiently combat infections caused by susceptible and drug-resistant bacteria, only a few known drug pairs exhibit synergy/cooperativity in killing bacteria. Here, we discover that well-known ribosomal antibiotics, hygromycin A (HygA) and macrolides, which target peptidyl transferase center and peptide exit tunnel, respectively, can act cooperatively against susceptible and drug-resistant bacteria. Remarkably, HygA slows down macrolide dissociation from the ribosome by 60-fold and enhances the otherwise weak antimicrobial activity of the newest-generation macrolide drugs known as ketolides against macrolide-resistant bacteria. By determining a set of high-resolution X-ray crystal structures of drug-sensitive wild-type and macrolide-resistant Erm-methylated 70S ribosomes in complex with three HygA-macrolide pairs, we provide a structural rationale for the binding cooperativity of these drugs and also uncover the molecular mechanism of overcoming Erm-type resistance by macrolides acting together with hygromycin A. Altogether our structural, biochemical, and microbiological findings lay the foundation for the subsequent development of synergistic antibiotic tandems with improved bactericidal properties against drug-resistant pathogens, including those expressing erm genes.

59 BASIC BIOLOGICAL SCIENCES↗

Large Angle Rocking Beam Electron Diffraction Utilizing Electron Direct Detector

Electron diffraction of a crystal is fundamentally a function of the potential of that crystal. The intensity of electron diffraction patterns is, as a result, sensitive to the charge density of atoms and bonding inside crystals. Experimentally, the traditional method to probe this information is quantitative Convergent Beam Electron Diffraction (CBED). Quantitative CBED or QCEBD is a method which uses dynamic diffraction theory to quantify CBED intensities and to extract information about crystal structure and bonding. The sensitivity of dynamical scattering is leveraged to measure crystal symmetry and crystal structure factors. At its limit, electron structure factors are measured at high accuracy allowing access to chemical bonding information, which corroborate theoretical calculations through multipole model refinements of the experimental charge density. The primary limit to QCBED is the requirement of a non-overlapping convergent beam. This subsequently limits QCBED to crystals with small unit cells which are stable under the focused probe.

Busch, Robert↗

Sensitivity of discrete systems

Sensitivity techniques are examined for structures discretized by finite element analysis. The discussion covers finite difference sensitivities, sensitivity of static response, sensitivity of eigenvalues and eigenvectors, sensitivity of linear transient response, and an example of use of transient sensitivity.

Haftka, Raphael T.↗

Potential of Glassy Carbon and Silicon Carbide Photonic Structures as Electromagnetic Radiation Shields for Atmospheric Re-entry

During high-velocity atmospheric entries, space vehicles can be exposed to strong electromagnetic radiation from ionized gas in the shock layer. Glassy carbon (GC) and silicon carbide (SiC) are candidate thermal protection materials due to their high melting point and also their good thermal and mechanical properties. Based on data from shock tube experiments, a significant fraction of radiation at hypersonic entry conditions is in the frequency range from 215 to 415 THz. We propose and analyze SiC and GC photonic structures to increase the reflection of radiation in that range. For this purpose, we performed numerical optimizations of various structures using an evolutionary strategy. Among the considered structures are layered, porous, woodpile, inverse opal and guided-mode resonance structures. In order to estimate the impact of fabrication inaccuracies, the sensitivity of the reflectivity to structural imperfections is analyzed. We estimate that the reflectivity of GC photonic structures is limited to 38% in the aforementioned range, due to material absorption. However, GC material can be effective for photonic reflection of individual, strong spectral line. SiC on the other hand can be used to design a good reflector for the entire frequency range.

Komarevskiy,Nikolay↗

General shape optimization capability

A method is described for calculating shape sensitivities, within MSC/NASTRAN, in a simple manner without resort to external programs. The method uses natural design variables to define the shape changes in a given structure. Once the shape sensitivities are obtained, the shape optimization process is carried out in a manner similar to property optimization processes. The capability of this method is illustrated by two examples: the shape optimization of a cantilever beam with holes, loaded by a point load at the free end (with the shape of the holes and the thickness of the beam selected as the design variables), and the shape optimization of a connecting rod subjected to several different loading and boundary conditions.

Chargin, Mladen K.↗

Dynamic verification of very large space structures

The dynamic verification of spacecraft relies heavily on ground-based tests. These tests usually simulate flight environments or validate analytical models used in establishing design loads and in designing control algorithms. They also provide security against failures resulting from unanticipated or unmodeled hardware behavior. Future orbital antennas, space stations, and solar power systems are likely to be of sizes difficult to test using current ground test technology. In addition to size, other factors such as low natural frequencies, lightweight construction, and the presence of many structural joints, cause significant sensitivity of the test process to the earth-gravity environment. Yet, accuracy requirements on the verification process will be more stringent because of modern flexible-structure control approaches. This paper describes some of the problems and discusses research on potential solutions. The importance of an integrated ground test, analysis, and flight test program is emphasized. An ongoing research program of this type focusing on a 60-meter, deployable, truss-beam test article is described.

Hanks, B. R.↗

Room temperature doping of Ln 3+ in perovskite nanoparticles: a halide exchange mediated cation exchange approach

This study presents a halide exchange mediated cation exchange strategy for a room temperature doping of trivalent lanthanide cations (Ln 3+ ) in cesium lead halide (CsPbX 3 ) nanoparticles (NPs). Post-synthetic addition of LnCl 3 [Ln = Nd, Sm, Eu, Tb, Dy, and Yb] to a solution of CsPbBr 3 NPs generates the corresponding lanthanide doped NPs which display host sensitized Ln 3+ emission. Structural and spectroscopic characterizations indicate a successful halide exchange and substitutional displacement of Pb 2+ by Ln 3+ . The effect of halide identity in controlling the Ln 3+ sensitization was also evaluated. Here, a photophysical framework is presented that can be used to predict the Ln 3+ sensitization in perovskite NPs semiempirically, thereby removing the constraints of trial and error in designing a perovskite NP-Ln 3+ host–guest combination.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Finite-frequency Sensitivity Kernels in Spherical Geometry for Time–Distance Helioseismology

The inference of internal properties of the Sun from surface measurements of wave travel times is the goal of time–distance helioseismology. A critical step toward the accurate interpretation of shifts in travel time is the computation of sensitivity functions linking seismic measurements to internal structure. Here we calculate finite-frequency sensitivity kernels in spherical geometry for two-point measurements of travel time. We numerically build Green’s function by solving for it at each frequency and each degree of spherical harmonic and summing over all these pieces. These computations are performed in parallel (“embarrassingly”), thereby achieving significant speedup in wall-clock time. Kernels are calculated by invoking the first-order Born approximation connecting deviations in the wave field to perturbations in the operator. Validated flow kernels are shown to produce travel times within 0.47% of the true value for uniform flows up to 750 m s{sup −1}. We find that travel time can be obtained with errors of 1 ms or less for flows having magnitudes similar to meridional circulation. Alongside flows, we also compute and validate a sensitivity kernel for perturbations in sound speed. These accurate sensitivity kernels might improve the current inferences of subsurface flows significantly.

79 ASTRONOMY AND ASTROPHYSICS↗

Assessment of Airfoil Property Sensitivity on Wind Turbine Extreme and Fatigue Loads: Preprint

Wind turbines are designed using a set of simulations to determine the structural loads that the turbine could experience. These structural loads can be significant influenced by physical turbine parameters. While significant research and effort has been put into measuring and defining such parameters, limited work has been done to quantify the sensitivity of structural loads to uncertainty in the physical turbine parameters. This paper therefore seeks to assess the sensitivity of different turbine aerodynamic parameters on the resulting ultimate and fatigue loads of the turbine during normal operational conditions. Eighteen different turbine parameters are screened using an Elementary Effects approach with radial points. The results show a high sensitivity of the loads to the blade twist and lift coefficient distributions. To a lesser extent, other turbine parameters that drive loads include the maximum lift coefficient location, blade chord length, and drag coefficient distributions.

17 WIND ENERGY↗

Dynamic X-ray diffraction imaging of the ferroelectric response in bismuth ferrite

Abstract X-ray diffraction imaging is rapidly emerging as a powerful technique by which one can capture the local structure of crystalline materials at the nano- and meso-scale. Here, we present investigations of the dynamic structure of epitaxial monodomain BiFeO 3 thin-films using a novel full-field Bragg diffraction imaging modality. By taking advantage of the depth penetration of hard X-rays and their exquisite sensitivity to the atomic structure, we imaged in situ and in operando, the electric field-driven structural responses of buried BiFeO 3 epitaxial thin-films in micro-capacitor devices, with sub-100 nm lateral resolution. These imaging investigations were carried out at acquisition frame rates that reached up to 20 Hz and data transfer rates of 40 MB/s, while accessing diffraction contrast that is sensitive to the entire three-dimensional unit cell configuration. We mined these large datasets for material responses by employing matrix decomposition techniques, such as independent component analysis. We found that this statistical approach allows the extraction of the salient physical properties of the ferroelectric response of the material, such as coercive fields and transient spatiotemporal modulations in their piezoelectric response, and also facilitates their decoupling from extrinsic sources that are instrument specific.

36 MATERIALS SCIENCE↗

Modeling the influence of nozzle-generated turbulence on diesel sprays

The physical mechanisms governing spray breakup in direct injection engines, such as aerodynamic induced instabilities and nozzle-generated cavitation and turbulence, are not well understood due to the experimental and computational limitations in resolving these processes. Recent x-ray and visible extinction measurements have been con-ducted with a targeted interest in the spray formation region in order to characterize the distribution of droplet sizes throughout the spray. Detailed analysis of these measurements shows promise of yielding insight into likely mechanisms governing atomization, which can inform the improvement of spray models for engine computational fluid dynamic (CFD) codes. In order to investigate potential atomization mechanisms, we employ a joint experimental and computational approach to characterize the structure of the spray formation region using the Engine Combustion Network Spray D injector. X-ray tomography, radiography and ultra-small angle x-ray scattering measurements conducted at the Advanced Photon Source at Argonne National Laboratory quantify the injector geometry, liquid fuel mass and Sauter mean diameter (SMD) distributions under non-vaporizing conditions. Diffused back-illumination imaging measurements, conducted at the Georgia Institute of Technology, characterize the asymmetry of the spray structure. The selected range of injection pressures (50 – 150 MPa) and ambient densities (1.2 – 22.8 kg/m3) allow for the influence of aerodynamic forces on the spray to be studied in a controlled and systematic manner, while isolating the atomization process from the effects of vaporization. In comparison to high ambient density conditions, the spray is observed to be more asymmetric at low ambient density conditions. Although several mechanisms may cause asymmetries in the nozzle exit flow conditions and ultimately the spray distribution, irregularities in the internal nozzle geometry were identified, suggesting an increased sensitivity of the spray structure to internal nozzle surface finish imperfections at such conditions. The presence of these asymmetries may influence the ability to interpret line-of-sight measurements and their derived SMD values and trends from a single viewing angle of the spray. With this consideration in mind, the measured local sensitivities to ambient density suggest that for ambient densities less than 2.4 kg/m3, aerodynamic effects are likely suppressed, allowing the influence of turbulent-induced breakup to be isolated. In concert with the experimental measurements, we utilize three-dimensional, CFD Lagrangian-Eulerian spray simulations in CONVERGE to evaluate the details of the predicted spray structure. In particular, we compare measured and predicted sensitivities of the SMD distribution to changes in injection and ambient conditions from three different atomization models, namely Kelvin Helmholtz (KH), KH Aerodynamics Cavitation Turbulence (KH-ACT), and the newly developed KH-Faeth hybrid model. While none of the existing hybrid spray models were able to replicate the experimentally observed sensitivities, it was found that the scales characterizing the KH-Faeth model show promise of capturing the experimentally observed trends if the effects of secondary droplet breakup are neglected. These results inform recommendations for future experiments and computational studies that can guide the development of an improved spray breakup model.

33 ADVANCED PROPULSION SYSTEMS↗

The dye-sensitized solar cells based on the interconnected ternary cobalt diindium sulfide nanosheet array counter electrode

Highlights: • The ternary CoIn{sub 2}S{sub 4} CE was fabricated by in situ solvothermal synthesis. • The CoIn{sub 2}S{sub 4} CE displays an interconnected nanosheet array structure. • The solvent and In{sub 2.77}S{sub 4} intermediate play key roles on the formation of CoIn{sub 2}S{sub 4}. • DSSC based on the CoIn{sub 2}S{sub 4} CE gives an efficiency of 8.83%. - Abstract: The ternary cobalt diindium sulfide (CoIn{sub 2}S{sub 4}) counter electrode (CE) with interconnected nanosheet array structure is fabricated on the fluorine-doped tin oxide (FTO) substrate by in situ ethanol solvothermal synthesis. The ethanol solvent and In{sub 2.77}S{sub 4} intermediate play important roles on the formation of the interconnected nanosheet array structure. The dye-sensitized solar cell (DSSC) with the optimized ternary CoIn{sub 2}S{sub 4} CE gives an energy conversion efficiency of 8.83%, which is much higher than that of DSSCs based on the binary CoS{sub 2} (6.47%), and In{sub 2.77}S{sub 4} (0.46%) CEs and can be comparable with that of Pt CE (8.19%) under full sunlight illumination (100 mW cm{sup −2}, AM 1.5 G). Except for the intrinsically electrocatalytic activity from the CoIn{sub 2}S{sub 4}, the higher conversion efficiency of CoIn{sub 2}S{sub 4} based DSSC can be attributed to that the interconnected nanosheet array structure provides plentiful catalytic active sites, abundant electron transport channels, and fast electrolyte diffusion.

14 SOLAR ENERGY↗

Optimizing observations of drizzle onset with millimeter-wavelength radars

Cloud Doppler radars are increasingly used to study cloud and precipitation microphysical processes. Typical bulk cloud properties such as liquid or ice content are usually derived using the first three standard moments of the radar Doppler spectrum. Recent studies demonstrated the value of higher moments for the reduction of retrieval uncertainties and for providing additional insights into microphysical processes. Large effort has been undertaken, e.g., within the Atmospheric Radiation Measurement (ARM) program to ensure high quality of radar Doppler spectra. However, a systematic approach concerning the accuracy of higher moment estimates and sensitivity to basic radar system settings, such as spectral resolution, integration time and beam width, are still missing. Here In this study, we present an approach on how to optimize radar settings for radar Doppler spectra moments in the specific context of drizzle detection. The process of drizzle development has shown to be particularly sensitive to higher radar moments such as skewness. We collected radar raw data (I/Q time series) from consecutive zenith-pointing observations for two liquid cloud cases observed at the cloud observatory JOYCE in Germany. The I/Q data allowed us to process Doppler spectra and derive their moments using different spectral resolutions and integration times during identical time intervals. This enabled us to study the sensitivity of the spatiotemporal structure of the derived moments to the different radar settings. The observed signatures were further investigated using a radar Doppler forward model which allowed us to compare observed and simulated sensitivities and also to study the impact of additional hardware-dependent parameters such as antenna beam width. For the observed cloud with drizzle onset we found that longer integration times mainly modify spectral width (S w ) and skewness (S k ), leaving other moments mostly unaffected. An integration time of 2 s seems to be an optimal compromise: both observations and simulations revealed that a 10 s integration time – as it is widely used for European cloud radars – leads to a significant turbulence-induced increase of S w and reduction of S k compared to 2 s integration time. This can lead to significantly different microphysical interpretations with respect to drizzle water content and effective radius. A change from 2 s to even shorter integration times (0. 4 s) has much smaller effects on S w and S k . We also find that spectral resolution has a small impact on the moment estimations, and thus on the microphysical interpretation of the drizzle signal. Even the coarsest spectral resolution studied, 0. 08 ms -1 , seems to be appropriate for calculation moments of drizzling clouds. Moreover, simulations provided additional insight into the microphysical interpretation of the skewness signatures observed: in low (high)-turbulence conditions, only drizzle larger than 20 µm (40 µm) can generate S k values above the S k noise level (in our case 0.4). Higher S k values are also obtained in simulations when smaller beam widths are adopted.

54 ENVIRONMENTAL SCIENCES↗

SwinCell: a 3D transformer and flow-based framework for improved cell segmentation

Segmentation of three-dimensional (3D) cellular images is fundamental for studying and understanding cell structure and function. However, 3D cellular segmentation is challenging, particularly for dense cells and tissues. This challenge arises mainly from the complex contextual information within 3D images, anisotropic properties, and the sensitivity to internal cellular structures, which often lead to incorrect segmentation. In this work, we introduce SwinCell, a 3D transformer-based framework that leverages Swin-transformer to predict flow and differentiate individual cell instances. We demonstrate SwinCell’s utility in the segmentation of nuclei, colon tissue cells, and densely cultured cells. SwinCell strikes a balance between maintaining detailed local feature recognition and understanding broader contextual information. Through extensive testing with both public and in-house 3D cell imaging datasets, SwinCell shows utility in segmenting dense cells, making it a valuable tool for 3D segmentation in cellular analysis that could expedite research in cell biology and tissue engineering.

59 BASIC BIOLOGICAL SCIENCES↗

Significance of dual polarized long wavelength radar for terrain analysis

Long wavelength systems with improved penetration capability have been considered to have the potential for minimizing the vegetation contribution and enhancing the surface return variations. L-band imagery of the Arkansas geologic test site provides confirmatory evidence of this effect. However, the increased wavelength increases the sensitivity to larger scale structure at relatively small incidence angles. The regularity of agricultural and urban scenes provides large components in the low frequency-large scale portion of the roughness spectrum that are highly sensitive to orientation. The addition of a cross polarized channel is shown to enable the interpreter to distinguish vegetation and orientational perturbations in the surface return.

Macdonald, H. C.↗

Using a life-cycle-cost criterion for multi-disciplinary design studies for the Manned Space Station

A life-cycle-cost measure for the Manned Space Station is suggested which considers the mass, initial cost, aerodynamic drag, electrical power, moment, required ground support, and expected life of subsystems or components. It is proposed that this life-cycle-cost measure be considered as a criterion for design trade-off studies involving controls and structures. Calculating the related sensitivities in the optimization process is discussed and then applied to specific examples. In the first example, the reaction control system is analyzed with regard to the design of its supporting structure and selection of rocket type. Values of support beam length, structural material selection, and rocket propellant selection are determined which minimize life-cycle-cost. In the second example, the alignment of solar arrays are analyzed for efficiency with regard to generating power, their drag, and their aerodynamic moment. Alignment angles are determined which again minimize life cycle cost. It seems clear from these and other examples that the proposed criterion has value for multi-disciplinary design studies for the Manned Space Station.

Taylor, L. W.↗

Effects of target fragmentation on evaluation of LET spectra from space radiation in low-earth orbit (LEO) environment: impact on SEU predictions

Recent improvements in the radiation transport code HZETRN/BRYNTRN and galactic cosmic ray environmental model have provided an opportunity to investigate the effects of target fragmentation on estimates of single event upset (SEU) rates for spacecraft memory devices. Since target fragments are mostly of very low energy, an SEU prediction model has been derived in terms of particle energy rather than linear energy transfer (LET) to account for nonlinear relationship between range and energy. Predictions are made for SEU rates observed on two Shuttle flights, each at low and high inclination orbit. Corrections due to track structure effects are made for both high energy ions with track structure larger than device sensitive volume and for low energy ions with dense track where charge recombination is important. Results indicate contributions from target fragments are relatively important at large shield depths (or any thick structure material) and at low inclination orbit. Consequently, a more consistent set of predictions for upset rates observed in these two flights is reached when compared to an earlier analysis with CREME model. It is also observed that the errors produced by assuming linear relationship in range and energy in the earlier analysis have fortuitously canceled out the errors for not considering target fragmentation and track structure effects.

STS-51 Shuttle Project↗