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At least 199 records · Page 11

Ferroelectric switching pathways and domain structure of SrBi 2 ⁢(Ta,Nb) 2 ⁢O 9 from first principles

Several families of layered perovskite oxide ferroelectrics exhibit a coupling between polarization and structural order parameters, such as octahedral rotation distortions. This coupling provides opportunities for novel electric field-based manipulation of material properties, and it also stabilizes complex domain patterns and domain-wall vortices. Among layered perovskites with such coupled orders, the Aurivillius-phase oxides SrBi 2 ⁢B 2 ⁢O 9 (B = Ta,Nb) are well-known for their excellent room-temperature ferroelectric performance. This work combines group theoretic analysis with density functional theory calculations to examine the ferroelectric switching processes of SrBi2⁢B2⁢O9. Low-energy two-step ferroelectric switching paths are identified, with polarization reversal facilitated by structural order-parameter rotations. Analysis of the domain structure reveals how the relative energetics of the coupled order parameters translates into a network of several distinct domain-wall types linked by domain-wall vortex structures. Comparisons are made between the ferroelectric switching and domain structure of SrBi 2 ⁢B 2 ⁢O 9 and those of the layered n = 2 Ruddlesden-Popper hybrid improper ferroelectrics. The results provide insight into how ferroelectric properties may be optimized by engineering the complex crystal structures of Aurivillius-phase oxides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

fpikachu96/KRED-data

Exploiting nature’s catalysts for non-natural transformations that are inaccessible to chemocatalysis is highly desirable but challenging. On the one hand, the widespread nicotinamide-dependent oxidoreductases have not been utilized for single-electron-transfer-induced bimolecular cross-couplings; on the other, the addition of catalytic asymmetric radical conjugate to terminal alkenes remains a challenge owing to strong racemic background reaction and unselective termination of prochiral radical species. Here we report a chemomimetic biocatalysitic approach for construction of alpha-carbonyl stereocentres via an unnatural intermolecular conjugate addition of N-(acyloxy)phthalimides-derived radicals with acceptor-substituted terminal alkenes, by combination of visible-light excitation and nicotinamide-dependent ketoreductases (KREDs). Based on protein crystal structure, we engineered KREDs via a semi-rational mutagenesis strategy to improve reaction outcomes with a small and high-quality variants library. Mechanistic investigations combining wet experiments, crystallographic studies and computational simulations demonstrate that the repurposed biocatalyst can suppress racemic background reaction and unselected side reactions, yielding enantioselectivity that is challenging to achieve by chemocatalysis.

Huang, Xiaoqiang↗

Packaging Technology Developed for High-Temperature SiC Sensors and Electronics

A ceramic- and thick-film-materials-based prototype electronic package designed for silicon carbide (SiC) high-temperature sensors and electronics has been successfully tested at 500 C in an oxygen-containing air environment for 500 hours. This package was designed, fabricated, assembled, and electronically evaluated at the NASA Glenn Research Center at Lewis Field with an in-house-fabricated SiC semiconductor test chip. High-temperature electronics and sensors are necessary for harsh-environment space and aeronautical applications, such as space missions to the inner solar system or the emission control electronics and sensors in aeronautical engines. Single-crystal SiC has such excellent physical and chemical material properties that SiC-based semiconductor electronics can operate at temperatures over 600 C, which is significantly higher than the limit for Si-based semiconductor devices. SiC semiconductor chips were recently demonstrated to be operable at temperatures as high as 600 C, but only in the probe station environment because suitable packaging technology for sensors and electronics at temperatures of 500 C and beyond did not exist. Thus, packaging technology for SiC-based sensors and electronics is immediately needed for both application and commercialization of high-temperature SiC sensors and electronics. In response to this need, researchers at Glenn designed, fabricated, and assembled a prototype electronic package for high-temperature electronics, sensors, and microelectromechanical systems (MEMS) using aluminum nitride (AlN) substrate and gold (Au) thick-film materials. This prototype package successfully survived a soak test at 500 C in air for 500 hours. Packaging components tested included thick-film high-temperature metallization, internal wire bonds, external lead bonds, and a SiC diode chip die-attachment. Each test loop, which was composed of thick-film printed wire, wire bond, and lead bond was subjected to a 50-mA direct current for 250 hours at 500 C.

Chen, Liang-Yu↗

Aviation Safety Program Atmospheric Environment Safety Technologies (AEST) Project

Engine Icing: Characterization and Simulation Capability: Develop knowledge bases, analysis methods, and simulation tools needed to address the problem of engine icing; in particular, ice-crystal icing Airframe Icing Simulation and Engineering Tool Capability: Develop and demonstrate 3-D capability to simulate and model airframe ice accretion and related aerodynamic performance degradation for current and future aircraft configurations in an expanded icing environment that includes freezing drizzle/rain Atmospheric Hazard Sensing and Mitigation Technology Capability: Improve and expand remote sensing and mitigation of hazardous atmospheric environments and phenomena

Colantonio, Ron↗

NASA Glenn Propulsion Systems Lab (PSL) Icing Facility Update

The NASA Glenn Research Center Propulsion Systems Lab (PSL) was recently upgraded to perform engine inlet ice crystal testing in an altitude environment. The system installed 10 spray bars in the inlet plenum for ice crystal generation using 222 spray nozzles. As an altitude test chamber, PSL is capable of simulation of in-flight icing events in a ground test facility. The system was designed to operate at altitudes from 4,000 ft. to 40,000 ft. at Mach numbers up to 0.8M and inlet total temperatures from -60F to +15F.

Calibrating↗

Multilayer Lateral Heterostructures of Van Der Waals Crystals with Sharp, Carrier–Transparent Interfaces

Abstract Research on engineered materials that integrate different 2D crystals has largely focused on two prototypical heterostructures: Vertical van der Waals stacks and lateral heterostructures of covalently stitched monolayers. Extending lateral integration to few layer or even multilayer van der Waals crystals could enable architectures that combine the superior light absorption and photonic properties of thicker crystals with close proximity to interfaces and efficient carrier separation within the layers, potentially benefiting applications such as photovoltaics. Here, the realization of multilayer heterstructures of the van der Waals semiconductors SnS and GeS with lateral interfaces spanning up to several hundred individual layers is demonstrated. Structural and chemical imaging identifies {110} interfaces that are perpendicular to the (001) layer plane and are laterally localized and sharp on a 10 nm scale across the entire thickness. Cathodoluminescence spectroscopy provides evidence for a facile transfer of electron‐hole pairs across the lateral interfaces, indicating covalent stitching with high electronic quality and a low density of recombination centers.

36 MATERIALS SCIENCE↗

Protein Crystal Based Nanomaterials

This is the final report on a NASA Grant. It concerns a description of work done, which includes: (1) Protein crystals cross-linked to form fibers; (2) Engineering of protein to favor crystallization; (3) Better knowledge-based potentials for protein-protein contacts; (4) Simulation of protein crystallization.

Bell, Jeffrey A.↗

Enhanced magnetization in proton irradiated Mn 3 Si 2 Te 6 van der Waals crystals

van der Waals (vdW) engineering of magnetism is a topic of increasing research interest in the community at present. We study themagnetic properties of quasi-two-dimensional layered vdW Mn 3 Si 2 Te 6 (MST) crystals upon proton irradiation as a function of fluences of 1 × 10 15 , 5 ×10 15 , 1 × 10 16 , and 1 × 10 18 H⁺/cm 2 . We find that the magnetization is significantly enhanced by 53% and 37% in the ferrimagnetic phase (at 50 K) when the MST crystal was irradiated with the proton fluence of 5 ×10 15 , both in ab and c planes, respectively.The ferrimagnetic ordering temperature and magnetic anisotropy are retained even after proton irradiation. From the fluence dependence of magnetization, electron paramagnetic resonance spectral parameters (g-value and signal width), and Raman data, we show that the magnetic exchange interactions (Mn–Te–Mn) are significantly modified at this fluence. This work shows that it is possible to employ protonirradiation in tuning the magnetic properties of vdW crystals and provide many opportunities to design desired magnetic phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ice Accretion Measurements on an Airfoil and Wedge in Mixed-Phase Conditions

This paper describes ice accretion measurements from experiments conducted at the National Research Council (NRC) of Canada's Research Altitude Test Facility during 2012. Due to numerous engine power loss events associated with high altitude convective weather, potential ice accretion within an engine due to ice crystal ingestion is being investigated collaboratively by NASA and NRC. These investigations examine the physical mechanisms of ice accretion on surfaces exposed to ice crystal and mixed phase conditions, similar to those believed to exist in core compressor regions of jet engines. A further objective of these tests is to examine scaling effects since altitude appears to play a key role in this icing process.

ice crystals↗

Ferroelectric Domain Wall Engineering Enables Thermal Modulation in PMN–PT Single Crystals

Acting like thermal resistances, ferroelectric domain walls can be manipulated to realize dynamic modulation of thermal conductivity ( k ), which is essential for developing novel phononic circuits. Despite the interest, little attention has been paid to achieving room-temperature thermal modulation in bulk materials due to challenges in obtaining a high thermal conductivity switching ratio ( k high / k low ), particularly in commercially viable materials. Here, room-temperature thermal modulation in 2.5 mm-thick Pb(Mg 1/3 Nb 2/3 )O 3 – x PbTiO 3 (PMN– x PT) single crystals is demonstrated. With the use of advanced poling conditions, assisted by the systematic study on composition and orientation dependence of PMN– x PT, a range of thermal conductivity switching ratios with a maximum of ≈1.27 is observed. Further, simultaneous measurements of piezoelectric coefficient (d 33 ) to characterize the poling state, domain wall density using polarized light microscopy (PLM), and birefringence change using quantitative PLM reveal that compared to the unpoled state, the domain wall density at intermediate poling states (0< d 33 33,max ) is lower due to the enlargement in domain size. At optimized poling conditions (d 33,max ), the domain sizes show increased inhomogeneity that leads to enhancement in the domain wall density. This work highlights the potential of commercially available PMN– x PT single crystals among other relaxor-ferroelectrics for achieving temperature control in solid-state devices.

36 MATERIALS SCIENCE↗

Floquet engineering of polaritonic amplification in dispersive photonic time crystals

In this study, we investigate the dynamics of dispersive photonic time crystals (PTCs) and their potential applications for controlling light-matter interaction. Using the Lorentz-Drude as dispersive material model, we analyze the effects of periodic modulation of dispersion parameters through both theoretical and numerical analysis, revealing the emergence of hybrid bandgaps from the interaction of polaritonic branches with distinctive characteristics. Our study demonstrates that dispersive PTCs offer novel excitation channels and amplification possibilities, that require lower modulation frequencies compared to nondispersive systems thus alleviating experimental challenges for the realization of PTCs in the optical regime. These findings pave the way for advancements in polaritonic lasing and resonant Raman scattering.

Classical optics↗

Reconfigurable Grating Diffraction Structural Color in Self-Assembled Colloidal Crystals

Self-assembled colloidal crystals display structural colors due to light diffracted from their microscale, ordered structure. This color arises due to Bragg reflection (BR) or grating diffraction (GD); the latter mechanism is much less explored than the former. Here the design space for generating GD structural color is identified and its relative advantages are demonstrated. Electrophoretic deposition is used to self-assemble crystals with fine crystal grains from colloids of diameter 1.0 µm. The structural color in transmission is tunable across the full visible spectrum. The optimum optical response—represented by both color intensity and saturation—is observed at low layer number (≤5 layers). The spectral response is well predicted by Mie scattering of the crystals. Taken together, the experimental and theoretical results demonstrate that vivid grating colors with high color saturation can be produced from thin layers of micron-sized colloids. These colloidal crystals extend the potential of artificial structural color materials.

42 ENGINEERING↗

Update on the NASA Glenn Propulsion Systems Lab Ice Crystal Cloud Characterization (2015, 2016)

NASA Glenn's Propulsion Systems Lab, an altitude engine test facility, was outfitted with a spray system to generate ice crystals in 2011. Turbine engines and driven rigs can experience ice crystal icing at flight altitudes, temperatures and Mach numbers. To support these tests, four ice crystal characterizations have been conducted in two different facility configurations. In addition, super-cooled liquid and mixed phase clouds have also been generated. This paper represents a work in progress. It will describe some of the 11-parameter calibration space, and how those parameters interact with each other, the instrumentation used to characterize the cloud and present a sample of the cloud characterization results.

Engine Icing↗

Quantification of Metabolic Products from Microbial Hosts in Complex Media Using Optically Diffracting Hydrogels

In this work, we herein describe a highly versatile platform approach for the in situ and real-time screening of microbial biocatalysts for enhanced production of bioproducts using photonic crystal hydrogels. This approach was demonstrated by preparing optically diffracting films based on polymerized N-isopropylacrylamide that contracted in the presence of alcohols and organic acids. The hydrogel films were prepared in a microwell plate format, which allows for high-throughput screening, and characterized optically using a microwell plate reader. While demonstrating the ability to detect a broad range of relevant alcohols and organic acids, we showed that the response of the films correlated strongly with the octanol-water partition coefficient (log P) of the analyte. Differences in the secretion of ethanol and succinic acid from strains of Zymomonas mobilis and Actinobacillus succinogenes, respectively, were further detected via optical characterization of the films. These differences, which in some cases were as low as ~3 g/L, were confirmed by high-performance liquid chromatography, thereby demonstrating the sensitivity of this approach. Our findings highlight the potential utility of this multiplexed approach for the detection of small organic analytes in complex biological media, which overcomes a major challenge in conventional optical sensing methods.

09 BIOMASS FUELS↗

Extended-Range Ultrarefractive 1D Photonic Crystal Prisms

A proposal has been made to exploit the special wavelength-dispersive characteristics of devices of the type described in One-Dimensional Photonic Crystal Superprisms (NPO-30232) NASA Tech Briefs, Vol. 29, No. 4 (April 2005), page 10a. A photonic crystal is an optical component that has a periodic structure comprising two dielectric materials with high dielectric contrast (e.g., a semiconductor and air), with geometrical feature sizes comparable to or smaller than light wavelengths of interest. Experimental superprisms have been realized as photonic crystals having three-dimensional (3D) structures comprising regions of amorphous Si alternating with regions of SiO2, fabricated in a complex process that included sputtering. A photonic crystal of the type to be exploited according to the present proposal is said to be one-dimensional (1D) because its contrasting dielectric materials would be stacked in parallel planar layers; in other words, there would be spatial periodicity in one dimension only. The processes of designing and fabricating 1D photonic crystal superprisms would be simpler and, hence, would cost less than do those for 3D photonic crystal superprisms. As in 3D structures, 1D photonic crystals may be used in applications such as wavelength-division multiplexing. In the extended-range configuration, it is also suitable for spectrometry applications. As an engineered structure or artificially engineered material, a photonic crystal can exhibit optical properties not commonly found in natural substances. Prior research had revealed several classes of photonic crystal structures for which the propagation of electromagnetic radiation is forbidden in certain frequency ranges, denoted photonic bandgaps. It had also been found that in narrow frequency bands just outside the photonic bandgaps, the angular wavelength dispersion of electromagnetic waves propagating in photonic crystal superprisms is much stronger than is the angular wavelength dispersion obtained by use of conventional prisms and diffraction gratings and is highly nonlinear.

Ting, David Z.↗

Test Results for the SEA Ice Crystal Detector (ICD) under SLD Conditions at the NASA IRT

The Science Engineering Associates hot-wire Ice Crystal Detector was tested under Appendix C and Supercooled Large Drop Conditions at the NASA Icing Research Tunnel, with the purpose of comparing the measurements to the tunnel LWC calibration, and to test the performance of the mixed-phase retrievals of the probe. The liquid water content measured by the total water content sensor of the probe agreed well with the tunnel calibration over a wide range of MVDs, not unexpectedly since the tunnel was calibrated with a similar Multiwire hot-wire probe. A scale factor difference of about 7% was attributed to the lack of an efficiency correction for the Ice Crystal Detector at smaller median volume diameters, and typical sample area uncertainties of liquid water content devices. In addition, the simultaneous equations that are used to retrieve liquid and ice water contents were tested under liquid and glaciated conditions. Using constant ice and water efficiencies for each wire, the equations were found to produce a large and false ice water content retrieval in large median volume diameter liquid cases. By applying a liquid efficiency to the liquid water content sensor that varied with median volume diameter, retrievals were improved such that false ice water content was less than ±10% of the total water content out to the 460 μm median volume diameter limit of the testing. The probe was also tested in glaciated conditions by freezing out a small median volume diameter spray. Using constant ice efficiencies for the two sensors provided from aircraft measurements, the retrieved ice water content was about 40% higher than expected for the case presented, likely due to the ice efficiencies that were used from aircraft measurements of natural clouds being too low for the tunnel’s glaciated sprays. Application of ice efficiencies that vary with particle size and potentially other parameters will be explored for future improvement of retrievals.

Air Craft Icing↗