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At least 397 records · Page 22

Investigation of the ordered and disordered corrosion morphologies on Ni-based alloy in the passive state

We report an order and disorder combined corrosion morphology of dual-phase Ni-based alloy in the passive state. After galvanostatic polarization in the passive region, the surface of the γ(Ni) phase presents amorphous feature while that of the γ′(Ni 3 Al) phase maintains crystalline. The variations in weight percentages of Ni (50.19% → 3.80%), Co (19.24% → 0.65%), Ta (0.85% → 21.19%), and W (5.73% → 43.79%) of γ surface are evident, whereas the composition of γ′ surface is nearly unchanged. The passive film comprises $W^{6+}_{ox}$, $Ta^{5+}_{ox}$, $Cr^{3+}_{ox}$, $Co^{8/3+}_{ox}$, $Ni^{2+}_{hy}$, and $Co^{2+}_{hy}$, and it shows stronger protection effect on the γ phase.

Density functional theory↗

Understanding the Effect of Lead Iodide Excess on the Performance of Methylammonium Lead Iodide Perovskite Solar Cells

The presence of unreacted lead iodide in organic-inorganic lead halide perovskite solar cells is widely correlated with an increase in power conversion efficiency. We investigate the mechanism for this increase by identifying the role of surfaces and interfaces present between methylammonium lead iodide perovskite films and excess lead iodide. We show how type I and II band alignments arising under different conditions result in either passivation of surface defects or hole injection. Through first-principles simulations of solid-solid interfaces, we find that lead iodide captures holes from methylammonium lead iodide and modulates the formation of defects in the perovskite, affecting recombination. Using surface-sensitive optical spectroscopy techniques, such as transient reflectance and time-resolved photoluminescence, we show how excess lead iodide affects the diffusion and surface recombination velocity of charge carriers in methylammonium lead iodide films. Our coupled experimental and theoretical results elucidate the role of excess lead iodide in perovskite solar cells.

14 SOLAR ENERGY↗

Use of particle beams for lunar prospecting

A key issue in choosing the appropriate site for a manned lunar base is the availability of resources, particularly oxygen and hydrogen for the production of water, and ores for the production of fuels and building materials. NASA has proposed two Lunar Scout missions that would orbit the Moon and use, among other instruments, a hard X-ray spectrometer, a neutron spectrometer, and a Ge gamma ray spectrometer to map the lunar surface. This passive instrumentation will have low resolution (tens of kilometers) due to the low signal levels produced by natural radioactivity and the interaction of cosmic rays and the solar wind with the lunar surface. This paper presents the results of a concept definition effort for a neutral particle beam lunar mapper probe. The idea of using particle beam probes to survey asteroids was first proposed by Sagdeev et al., and an ion beam device was fielded on the 1988 Soviet probe to the Mars moon Phobos. During the past five years, significant advances in the technology of neutral particle beams (NPB) have led to a suborbital flight of a neutral hydrogen beam device in the SDIO-sponsored BEAR experiment. An orbital experiment, the Neutral Particle Beam Far Field Optics Experiment (NPB-FOX) is presently in the preliminary design phase. The development of NPB accelerators that are space-operable leads one to consider the utility of these devices for probing the surface of the Moon using gamma ray, X-ray, and optical/UV spectroscopy to locate various elements and compounds. We consider the utility of the NPB-FOX satellite containing a 5-MeV particle beam accelerator as a probe in lunar orbit. Irradiation of the lunar surface by the particle beam will induce secondary and back scattered radiation from the lunar surface to be detected by a sensor that may be co-orbital with or on the particle beam satellite platform, or may be in a separate orbit. The secondary radiation is characteristic of the make-up of the lunar surface. The size of the spot irradiated by the beam is less than 1 km wide along the ground track of the satellite, resulting in the potential for high resolution. The fact that the probe could be placed in polar orbit would result in global coverage of the lunar surface. The orbital particle beam probe could provide the basis for selection of sites for more detailed prospecting by surface rovers.

Toepfer, A. J.↗

Surface melting over the Greenland ice sheet from enhanced resolution passive microwave brightness temperatures (1979–2019)

Surface melting is a major component of the Greenland ice sheet (GrIS) surface mass balance, affecting sea level rise through direct runoff and the modulation on ice dynamics and hydrological processes, supraglacially, englacially and subglacially. Passive microwave (PMW) brightness temperature observations are of paramount importance in studying the spatial and temporal evolution of surface melting in view of their long temporal coverage (1979–to date) and high temporal resolution (daily). However, a major limitation of PMW datasets has been the relatively coarse spatial resolution, being historically of the order of tens of kilometres. Here, we use a newly released passive microwave dataset (37 GHz, horizontal polarization) made available through the NASA MeASUREs program to study the spatiotemporal evolution of surface melting over the GrIS at an enhanced spatial resolution of 3.125 Km. We assess the outputs of different detection algorithms through data collected by Automatic Weather Stations (AWS) and the outputs of the MAR regional climate model. We found that surface melting is well captured using a dynamic algorithm based on the outputs of MEMLS model, capable to detect sporadic and persistent melting. Our results indicate that, during the reference period 1979–2019 (1988–2019), surface melting over the GrIS increased in terms of both duration, up to ~4.5 (2.9) days per decade, and extension, up to 6.9 % (3.6 %) of the GrIS surface extent per decade, according to the MEMLS algorithm. Furthermore, the melting season has started up to ~4 (2.5) days earlier and ended ~7 (3.9) days later per decade. We also explored the information content of the enhanced resolution dataset with respect to the one at 25 km and MAR outputs through a semi-variogram approach. We found that the enhanced product is more sensitive to local scale processes, hence confirming the potential interest of this new enhanced product for studying surface melting over Greenland at a higher spatial resolution than the historical products and monitor its impact on sea level rise. This offers the opportunity to improve our understanding of the processes driving melting, to validate modelled melt extent at high resolution and potentially to assimilate this data in climate models.

Surface melting↗

Enhanced Menshutkin S N 2 Reactivity in Mesoporous Silica: The Influence of Surface Catalysis and Confinement

A significant enhancement in the Menshutkin S N 2 reaction between 1-methylimidazole (MeIm) and methyl thiocyanate (MeSCN) is observed when the reaction is confined in the nanoscale silica pores of MCM41 and SBA15. The experiments in the silica pores are conducted without surrounding bulk reaction mixture. The influences of temperature, pore radius, and surface chemistry on the kinetics of the confined reaction are analyzed with time-dependent infrared spectroscopy, molecular dynamics simulations, and ab initio calculations. The rate constant of the pseudo-first order reaction increases with decreasing pore size, and the activation energy is found to decrease by 5.6 kJ/mol in the smallest pore studied (2.8 nm) relative to the bulk reaction. The rate constant dependence on pore size is accurately described by a two-state model in which molecules within the 4.6 Å interfacial layer experience a 2.4-fold rate constant increase relative to those reacting at the bulk rate further away from the interface. The removal of polar silanol groups from the silica surface via passivation with trimethylsilyl chloride results in bulk-like kinetics despite a reduction in the pore diameter, demonstrating the role of silanols as catalytic sites. Here, electronic structure calculations of the energy profile on a model silica surface confirm that silanol groups, particularly those of the vicinal type, can reduce the activation energy and reaction endothermicity through the donation of hydrogen bonds to the reactant, transition state, and product complexes.

36 MATERIALS SCIENCE↗

Role of Surface Termination in the Structural and Electronic Properties of Sc$_2$CT$_\textrm{x}$ MXene

Graphene-like layered transition metal carbides, nitrides, or carbonitrides, called MXenes, obey the stoichiometric formula of M n+1 X n T x , where M is an early transition metal such as scandium (Sc), n is a natural number, X is C, N, or CN, and T x is a functional group such as –O, –F, or –OH that passivates the surface of the MXene. The electronic structure of bare Sc 2 C and functionalized Sc 2 CT x MXenes are explored by performing first-principles density functional theory (DFT) calculations. The bare Sc 2 C is metallic, but less stable than its passivated structure. The Sc 2 C MXene has an interlayer 2D electron gas not bound to Sc or C atoms but free to move, making it an electride. DFT calculations show that functionalization can open an energy gap in Sc 2 CT x MXenes. The size and type (direct versus indirect) of the bandgap vary with the functional groups, which provides a means for opening and tuning of the band gap.

DFT↗

High-Temperature, High-Flux Multifoil Shield Developed for Space Applications

Spacecraft employing solar dynamic power systems typically use parabolic, point focus concentrators to collect solar power and direct it to the aperture of a heat receiver. Solar fluxes several thousand times the intensity of one solar constant are typically produced in the focal plane of such concentrators. Under heat loading this severe, passively cooled surfaces constructed of most engineering materials would rapidly melt. Therefore, high-temperature shielding is required to protect heat receiver surfaces and other spacecraft surfaces that may be exposed to high flux. To meet this challenge for the joint U.S./Russian Solar Dynamic Flight Demonstration Program, AlliedSignal Aerospace and the NASA Lewis Research Center developed a high-temperature, high-flux multifoil shield tolerant of extreme heat loading conditions in a vacuum environment. The shield is passively cooled, obviating the need for pumped fluid loops and/or heat pipe cooling systems with their attendant cost, mass, complexity, and reliability issues.

Kerslake, Thomas W.↗

Ab initio-based metric for predicting the protectiveness of surface films in aqueous media

Abstract Materials can passivate by forming surface films when placed in aqueous media. However, these films may or may not be stable, and their stability can be predicted by a metric called the Pilling-Bedworth Ratio (PBR). In this article, we extend PBR to predict passivation protectiveness of multi-component materials. We then evaluate this PBR (ePBR)’s effectiveness by comparing its predictions against experimental studies of 21 multi-element materials of diverse chemistries, with agreement for 17 of the materials. Finally, we encode the methodology to compute ePBR in a web-application to predict the protectiveness of 140,000+ materials in the Materials Project database.

36 MATERIALS SCIENCE↗

Control of low-speed turbulent separated flow over a backward-facing ramp

The relative performance and flow phenomena associated with several devices for controlling turbulent separated flow were investigated at low speeds. Relative performance of the devices was examined for flow over a curved, backward-facing ramp in a wind tunnel, and the flow phenomena were examined in a water tunnel using dye-flow visualization. Surface static pressure measurements and oil-flow visualization results from the wind tunnel tests indicated that transverse grooves, longitudinal grooves, submerged vortex generators, vortex generator jets (VGJ's), Viets' fluidic flappers, elongated arches at positive angle of attack, and large-eddy breakup devices (LEBU's) at positive angle of attack placed near the baseline separation location reduce flow separation and increase pressure recovery. Spanwise cylinders reduce flow separation but decrease pressure recovery downstream. Riblets, passive porous surfaces, swept grooves, Helmholtz resonators, and arches and LEBU's with angle of attack less than or = 0 degrees had no significant effect in reducing the extent of the separation region. Wall-cooling computations indicated that separation delay on a partially-cooled ramp is nearly the same as on a fully-cooled ramp, while minimizing the frictional drag increase associated with the wall cooling process. Dry-flow visualization tests in the water tunnel indicated that wishbone vortex generators in the forward orientation shed horseshoe vortices; wishbone vortex generators oriented in the reverse direction and doublet vortex generators shed streamwise counterrotating vortices; a spanewise cylinder located near the wall and LEBU's at angle of attack = -10 degrees produced eddies or transverse vortices which rotated with the same sign as the mean vorticity in a turbulent boundary layer; and the most effective VGJ's produced streamwise co-rotating vortices. Comparative wind-tunnel test results indicated that transferring momentum from the outer region of a turbulent boundary layer through the action of embedded streamwise vortices is more effective than by transverse vortices for the separation control application studied herein.

Lin, John C.↗

Evaluating the Operational Application of SMAP for Global Agricultural Drought Monitoring

Over the past two decades, remote sensing has made possible the routine global monitoring of surface soil moisture. Regionalagricultural drought monitoring is one of the most logicalapplication areas for such monitoring. However, remote sensing alone provides soil moisture information for only the top few centimetersof the soil profile, while agricultural drought monitoring requires knowledge of the amount of water present in the entireroot zone. The assimilation of remotely sensed soil moisture productsinto continuous soil water balance models provides a way ofaddressing this shortcoming. Here, we describe the assimilationof NASA's soil moisture active passive (SMAP) surface soil moisture data into the United States Department of Agriculture Foreign Agricultural Service (USDA FAS) Palmer model and assess the impactof SMAP on USDA FAS drought monitoring capabilities. Theassimilation of SMAP is specifically designed to enhance the model skill and the USDA FAS drought capabilities by correcting for randomerrors inherent in its rainfall forcing data. The performanceof this SMAP-based assimilation system is evaluated using two approaches.At global scale, the accuracy of the system is assessed by examining the lagged correlation agreement between soil moistureand the normalized difference vegetation index (NDVI). Additional regional-scale evaluation using in situ-based soil moisture estimatesis carried out at seven of the SMAP core Cal/Val sites located in theUSA. Both types of analysis demonstrate the value of assimilating SMAP into the USDA FAS Palmer model and its potential to enhance operational USDA FAS root-zone soil moisture information.

Mladenova, Iliana E.↗

Ice surface temperature retrieval from AVHRR, ATSR, and passive microwave satellite data: Algorithm development and application

During the first half of our second project year we have accomplished the following: (1) acquired a new AVHRR data set for the Beaufort Sea area spanning an entire year; (2) acquired additional ATSR data for the Arctic and Antarctic now totaling over seven months; (3) refined our AVHRR Arctic and Antarctic ice surface temperature (IST) retrieval algorithm, including work specific to Greenland; (4) developed ATSR retrieval algorithms for the Arctic and Antarctic, including work specific to Greenland; (5) investigated the effects of clouds and the atmosphere on passive microwave 'surface' temperature retrieval algorithms; (6) generated surface temperatures for the Beaufort Sea data set, both from AVHRR and SSM/I; and (7) continued work on compositing GAC data for coverage of the entire Arctic and Antarctic. During the second half of the year we will continue along these same lines, and will undertake a detailed validation study of the AVHRR and ATSR retrievals using LEADEX and the Beaufort Sea year-long data. Cloud masking methods used for the AVHRR will be modified for use with the ATSR. Methods of blending in situ and satellite-derived surface temperature data sets will be investigated.

Key, Jeff↗

Effects of Material Choice on Biocide Loss in Orion Water Storage Tanks

When preparing for long-duration spaceflight missions, maintaining a safe supply of potable water is of the utmost importance. One major aspect of that is ensuring that microbial growth is minimized. Historically, this challenge has been addressed through the use of biocides. When using biocides, the choice of materials for the storage containers is important, because surface reactions can reduce biocide concentrations below their effective range. In the water storage system baselined for the Orion vehicle, the primary wetted materials are stainless steel (316 L) and a titanium alloy (Ti6Al4V). Previous testing with these materials has shown that the biocide selected for use in the system (ionic silver) will plate out rapidly upon initial wetting of the system. One potential approach for maintaining an adequate biocide concentration is to spike the water supply with high levels of biocide in an attempt to passivate the surface. To evaluate this hypothesis, samples of the wetted materials were tested individually and together to determine the relative loss of biocide under representative surface area-to-volume ratios after 24 hours. Additionally, we have analyzed the efficacy of disinfecting a system containing these materials by measuring reductions in bacterial counts in the same test conditions. Preliminary results indicate that the use of titanium, either individually or in combination with stainless steel, can result in over 95% loss of biocide, while less than 5% is lost when using stainless steel. In bacterial testing, viable organisms were recovered from samples exposed to the titanium coupons after 24 hours. By comparison, no organisms were recovered from the test vessels containing only stainless steel. These results indicate that titanium, while possessing some favorable attributes, may pose additional challenges when used in water storage tanks with ionic silver biocide.

Wallace, W. T.↗

Mechanisms of Water-Stimulated Mg 2+ Intercalation in Vanadium Oxide: Toward the Development of Hydrated Vanadium Oxide Cathodes for Mg Batteries

As lithium-ion batteries approach their theoretical limits for energy density, magnesium-ion batteries are emerging as a promising next-generation energy storage technology. However, progress in magnesium-ion battery research has been stymied by a lack of available high capacity cathode materials that can reversibly insert magnesium ions. Vanadium Oxide (V 2 O 5 ) has emerged as one of the more promising candidate cathode materials, owing to its high theoretical capacity, facile synthesis methods, and relatively high operating voltage. This review focuses on the outlook of hydrated V 2 O 5 structures as a high capacity cathode material for magnesium-ion batteries. In general, V 2 O 5 structures exhibit poor experimental capacity for magnesium-ion insertion due to sluggish magnesium-ion insertion kinetics and poor electronic conductivity. However, several decades ago, it was discovered that the addition of water to organic electrolytes significantly improves magnesium-ion insertion into V 2 O 5 . This review clarifies the various mechanisms that have been used to explain this observation, from charge shielding to proton insertion, and offers an alternative explanation that examines the possible role of structural hydroxyl groups on the V 2 O 5 surface. While the mechanism still needs to be further studied, this discovery fueled new research into V 2 O 5 electrodes that incorporate water directly as a structural element. The most promising of these hydrated V 2 O 5 materials, many of which incorporate conductive additives, nanostructured architectures, and thin film morphologies, are discussed. Ultimately, however, these hydrated V 2 O 5 structures still face a significant barrier to potential applications in magnesium-ion batteries. During full cell electrochemical cycling, these hydrated structures tend to leach water into the electrolyte and passivate the surface of the magnesium anode, leading to poor cycle life and low capacity retention. Recently, some promising strides have been made to remedy this problem, including the use of artificial solid electrolyte interphase layers as an anode protection scheme, but a call to action for more anode protection strategies that are compatible with trace water and magnesium metal is required.

25 ENERGY STORAGE↗

Shape-Controlled Synthesis of Copper Nanocrystals for Plasmonic, Biomedical, and Electrocatalytic Applications

As a metal that can occur in nature in the elemental form, copper (Cu) has been used by humans since ca. 8000 BC. With most properties matching those of Ag and Au, Cu has played a more significant role in commercial applications owing to its much higher (the 25th among all elements) abundance in Earth’s crust and thus more affordable price. In addition to its common use as a conductor of heat and electricity, it is a constituent of various metal alloys for hardware, coins, strain gauges, and thermocouples. Bulk Cu is also widely utilized as a building material. When downsized to the nanoscale, Cu and Cu-based structures have found widespread use in applications ranging from electronics to optoelectronics, plasmonics, catalysis, sensing, and biomedicine. Besides Ag and Au, for example, Cu is another metal known for its localized surface plasmon resonance (LSPR) in the visible and near-infrared regions when prepared as nanocrystals. As a potential replacement for indium–tin oxide (ITO) films, polymer coatings containing Cu nanowires are strong candidates for the fabrication of transparent and flexible electrodes key to touchscreen display and related applications. The commercial catalysts for water–gas shift and gas detoxification reactions are also based on Cu nanoparticles. Most recently, Cu nanocrystals have attracted considerable interest for their superior selectivity toward hydrocarbons and multicarbon species during the electrochemical reduction of CO 2 . The success of all these applications critically depends on our ability to control the shape and surface structure of the nanocrystals. Relative to Ag and Au, it is more challenging to generate Cu-based nanocrystals using colloidal methods due to its lower reduction potential and greater vulnerability to oxidation. Here, in this account, we discuss recent progress in the colloidal synthesis of Cu nanocrystals with controlled shapes for plasmonic, biomedical, and catalytic applications. With glucose serving as a reducing agent, Cu nanocrystals bearing a twinned or single-crystal structure can be synthesized using an aqueous system with the assistance of hexadecylamine (HDA). In this synthetic protocol, HDA not only passivates the surface to protect the nanocrystals from oxidation but also manipulates the reduction kinetics of Cu(II) precursor through coordination and an increase of solution pH. Typical products include nanocubes and penta-twinned nanowires whose surfaces are dominated by {100} facets. When seeds produced either in situ or ex situ are introduced, Cu-based nanocrystals featuring a singly twinned, core–shell, or Janus structure can be readily synthesized. Aside from segmented structures, Cu-based alloys with various noble metals can be synthesized through coreduction or a galvanic replacement reaction with preformed Cu nanocrystals. By controlling the size and/or shape of Cu nanocrystals, their LSPR peaks can be tuned into the near-infrared region, making them promising candidates for optical imaging contrast enhancement and photothermal treatment. The inclusion of the 64 Cu isotope makes them immediately useful in positron emission tomography and thus image-guided therapy. The surface structure, elemental distribution, and valence state of Cu-based nanocrystals can all be tailored to augment their electrocatalytic performance. It is hoped that this Account will inspire more studies into the development of rational methods capable of producing Cu-based nanocrystals with diverse and well-controlled shapes, internal structures, and compositions for a broader range of applications.

36 MATERIALS SCIENCE↗

Evaluation of viscous drag reduction schemes for subsonic transports

The results are described of a theoretical study of viscous drag reduction schemes for potential application to the fuselage of a long-haul subsonic transport aircraft. The schemes which were examined included tangential slot injection on the fuselage and various synergetic combinations of tangential slot injection and distributed suction applied to wing and fuselage surfaces. Both passive and mechanical (utilizing turbo-machinery) systems were examined. Overall performance of the selected systems was determined at a fixed subsonic cruise condition corresponding to a flight Mach number of free stream M = 0.8 and an altitude of 11,000 m. The nominal aircraft to which most of the performance data was referenced was a wide-body transport of the Boeing 747 category. Some of the performance results obtained with wing suction are referenced to a Lockheed C-141 Star Lifter wing section. Alternate designs investigated involved combinations of boundary layer suction on the wing surfaces and injection on the fuselage, and suction and injection combinations applied to the fuselage only.

Marino, A.↗

Polarimetric Passive Remote Sensing of Wind-generated Sea Surfaces and Ocean Wind Vectors

This paper investigates the theory of polarimetric passive remote sensing of wind-generated sea surfaces. A two-scale polarimetric scattering and emission model of sea surfaces is developed to interpret existing active and passive remote sensing microwave signatures of sea surfaces, and to investigate the potential application of polarimetic radiometry to ocean surface winds.

Polarimetric Remote Sensing↗

Mitigation of shunt in poly -Si/SiO$_{x}$ passivated interdigitated back contact monocrystalline Si solar cells by self-aligned etching between doped fingers

Polycrystalline silicon on silicon oxide (poly-Si/SiO x ) passivating contacts can be used for ultra-high-efficiency interdigitated back contact (IBC) monocrystalline silicon solar cells. We evaluate the use of intrinsic poly-Si for the region that isolates the p- and n-type fingers at the back side of IBC devices. To mitigate shunt across the isolation region between the doped p- and n-type fingers, we demonstrate self-aligned subtractive processing by etching the poly-Si in the isolation region using SF6 plasma followed by etching in a tetramethylammonium hydroxide (TMAH) solution. After removal of the poly-Si, the isolation region was passivated with SiN x and Al 2 O 3 , which resulted in an 11.7% increase in the fill factor in a 19.8% efficient device. Furthermore, we evaluate the limitations of this device through Suns-V oc analysis and simulations using SunSolve and Quokka3 solar cell simulation software. Through Quokka3, we show that the most significant efficiency losses come from junction recombination current (J 02 ) in the isolation region between doped fingers. We predict that the cell efficiency can be most improved with reduced J 02 through better isolation of heavily doped fingers by etching the isolation region deeper into the bulk or through enhanced surface chemical passivation in this region.

14 SOLAR ENERGY↗

Handbook on passive thermal control coatings

A handbook of passive thermal control surfaces data pertaining to the heat transfer requirements of spacecraft is presented. Passive temperature control techniques and the selection of control surfaces are analyzed. The space environmental damage mechanisms in passive thermal control surfaces are examined. Data on the coatings for which technical information is available are presented in tabular form. Emphasis was placed on consulting only those references where the experimental simulation of the space environment appeared to be more appropriate.

Mookherji, T. K.↗