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At least 505 records · Page 28

A Review of State-of-the-Art Separator Materials for Advanced Lithium-Based Batteries for Future Aerospace Missions

As NASA embarks on a renewed human presence in space, safe, human-rated, electrical energy storage and power generation technologies, which will be capable of demonstrating reliable performance in a variety of unique mission environments, will be required. To address the future performance and safety requirements for the energy storage technologies that will enhance and enable future NASA Constellation Program elements and other future aerospace missions, advanced rechargeable, lithium-ion battery technology development is being pursued with an emphasis on addressing performance technology gaps between state-of-the-art capabilities and critical future mission requirements. The material attributes and related performance of a lithium-ion cell's internal separator component are critical for achieving overall optimal performance, safety and reliability. This review provides an overview of the general types, material properties and the performance and safety characteristics of current separator materials employed in lithium-ion batteries, such as those materials that are being assessed and developed for future aerospace missions.

Bladwin, Richard S.↗

The Ice, Cloud, and Land Elevation Satellite-2 (ICESat-2): Science Requirements, Concept, and Implementation

The Ice, Cloud, and land Elevation Satellite (ICESat) mission used laser altimetry measurements to determine changes in elevations of glaciers and ice sheets, as well as sea ice thickness distribution. These measurements have provided important information on the response of the cryosphere (Earths frozen surfaces) to changes in atmosphere and ocean condition. ICESat operated from 2003-2009 and provided repeat altimetry measurements not only to the cryosphere scientific community but also to the ocean, terrestrial and atmospheric scientific communities. The conclusive assessment of significant ongoing rapid changes in the Earths ice cover, in part supported by ICESat observations, has strengthened the need for sustained, high accuracy, repeat observations similar to what was provided by the ICESat mission. Following recommendations from the National Research Council for an ICESat follow-on mission, the ICESat-2 mission is now under development for planned launch in 2018. The primary scientific aims of the ICESat-2 mission are to continue measurements of sea ice freeboard and ice sheet elevation to determine their changes at scales from outlet glaciers to the entire ice sheet, and from 10s of meters to the entire polar oceans for sea ice freeboard. ICESat carried a single beam profiling laser altimeter that produced approximately 70 m diameter footprints on the surface of the Earth at approximately 150 m along-track intervals. In contrast, ICESat-2 will operate with three pairs of beams, each pair separated by about 3 km across-track with a pair spacing of 90 m. Each of the beams will have a nominal 17 m diameter footprint with an along-track sampling interval of 0.7 m. The differences in the ICESat-2 measurement concept are a result of overcoming some limitations associated with the approach used in the ICESat mission. The beam pair configuration of ICESat-2 allows for the determination of local cross-track slope, a significant factor in measuring elevation change for the outlet glaciers surrounding the Greenland and Antarctica coasts. The multiple beam pairs also provide improved spatial coverage. The dense spatial sampling eliminates along-track measurement gaps, and the small footprint diameter is especially useful for sea surface height measurements in the often narrow leads needed for sea ice freeboard and ice thickness retrievals. The ICESat-2 instrumentation concept uses a low energy 532 nm (green) laser in conjunction with single-photon sensitive detectors to measure range. Combining ICESat-2 data with altimetry data collected since the start of the ICESat mission in 2003, such as Operation IceBridge and ESAs CryoSat-2, will yield a 15+ year record of changes in ice sheet elevation and sea ice thickness. ICESat-2 will also provide information of mountain glacier and ice cap elevations changes, land and vegetation heights, inland water elevations, sea surface heights, and cloud layering and optical thickness.

ICESat-2↗

Sulfur and Metal Fertilization of the Lower Continental Crust

Mantle-derived melts and metasomatic fluids are considered to be important in the transport and distribution of trace elements in the subcontinental lithospheric mantle. However, the mechanisms that facilitate sulfur and metal transfer from the upper mantle into the lower continental crust are poorly constrained. This study addresses this knowledge gap by examining a series of sulfide- and hydrous mineral-rich alkaline mafic-ultramafic pipes that intruded the lower continental crust of the Ivrea-Verbano Zone in the Italian Western Alps. The pipes are relatively small (<300 m diameter) and primarily composed of a matrix of subhedral to anhedral amphibole (pargasite), phlogopite and orthopyroxene that enclose sub-centimeter-sized grains of olivine. The 1 to 5 m wide rim portions of the pipes locally contain significant blebby and disseminated Fe-Ni-Cu-PGE sulfide mineralization.Stratigraphic relationships, mineral chemistry, geochemical modeling and phase equilibria suggest that the pipes represent open-ended conduits within a large magmatic plumbing system. The earliest formed pipe rocks were olivine-rich cumulates that reacted with hydrous melts to produce orthopyroxene, amphibole and phlogopite.Sulfides precipitated as immiscible liquid droplets that were retained within a matrix of silicate crystals and scavenged metals from the percolating hydrous melt. New high-precision chemical abrasion TIMS-UPb dating of zircons from one of the pipes indicates that these pipes were emplaced at 249.1+/-0.2 Ma, following partial melting of lithospheric mantle pods that were metasomatized during the Eo-Variscan oceanic to continental subduction (approx. 420-310 Ma). The thermal energy required to generate partial melting of the metasomatized mantle was most likely derived from crustal extension, lithospheric decompression and subsequent asthenospheric rise during the orogenic collapse of the Variscan belt (<300 Ma). Unlike previous models, outcomes from this study suggest a significant temporal gap between the occurrence of mantle metasomatism, subsequent partial melting and emplacement of the pipes.We argue that this multi-stage process is a very effective mechanism to fertilize the commonly dry and refractory lower continental crust in metals and volatiles. During the four-dimensional evolution of the thermo-tectonic architecture of any given terrain, metals and volatiles stored in the lower continental crust may become available as sources for subsequent ore-forming processes, thus enhancing the prospectivity of continental block margins for a wide range of mineral systems.

Marek Locmelis↗

NASA SPoRT Suite of Legacy and Current Satellite Products in Support of Tropical Analysis and Forecasting

The NASA Short-term Prediction, Research, and Transition (SPoRT) Program works closely with NOAA/NWS weather forecasters to transition unique satellite data and capabilities into operations in order to assist with nowcasting and short-term forecasting issues. SPoRT has applied data and capabilities from a variety of research-oriented missions to improve the operational analysis and short-term forecasting of the tropical environment and tropical cyclones(TC).Toward researching new products, SPoRT is examining the diurnal cycle of TC intensity by observing changes in precipitation, winds, and midlevel moisture, including the use of NUCAPS soundings to assess the moisture and temperature environment around TCs, as well as examining changes in sounding profiles associated with the TC diurnal cycle. SPoRT has developed capabilities to analyze the evolution and diurnal cycle of GPM/IMERG rain rates and GLM lightning characteristics associated with TC, by compass and up-/down-shear quadrants relative to the cyclone center. As Early Adopters in the Time-Resolved Observations of Precipitation structure and storm Intensity with a Constellation of Smallsats (TROPICS) mission, SPoRT is also in the process of developing new experimental products utilizing TROPICS data. Furthermore, SPoRT is investigating the relationship between TC intensity and lightning flash size and optical energy. MSFC hosts a GOES ground rebroadcast station which enables the potential for very low latency GLM products. These products provide the ability to monitor tropical regions/systems in data-void oceanic regions and to fill the gaps in traditional observational systems. SPoRT seeks to expand our collaborations with operational centers and other stakeholders to provide new tools to aid in tropical analysis and forecasting.

satellite remote sensing↗

Analysis of radiative and phase-change phenomena with application to space-based thermal energy storage

The simplified geometry for the analysis is an infinite, axis symmetric annulus with a specified solar flux at the outer radius. The inner radius is either adiabatic (modeling Flight Experiment conditions), or convective (modeling Solar Dynamic conditions). Liquid LiF either contacts the outer wall (modeling ground based testing), or faces a void gap at the outer wall (modeling possible space based conditions). The analysis is presented in three parts: Part 3 considers and adiabatic inner wall and linearized radiation equations; part 2 adds effects of convection at the inner wall; and part 1 includes the effect of the void gap, as well as previous effects, and develops the radiation model further. The main results are the differences in melting behavior which can occur between ground based 1 g experiments and the microgravity flight experiments. Under 1 gravity, melted PCM will always contact the outer wall having the heat flux source, thus providing conductance from this source to the phase change front. In space based tests where a void gap may likely form during solidification, the situation is reversed; radiation is now the only mode of heat transfer and the majority of melting takes place from the inner wall.

Lund, Kurt O.↗

Frequency band broadening of magnetospheric VLF emissions near the equator

The broadening of the whistler mode VLF emission band has frequently been observed by the equatorially orbiting S3-A (Explorer 45) satellite outside the midnight sector of the plasmasphere, during periods of geomagnetic disturbance. Prior to the broadening, the band of this emission is narrow with a sharp gap at the half electron gyrofrequency. The gradual broadening of the emission band on the low-frequency side is associated with the simultaneously observed spreading of the anisotropy of the ring current electrons to higher and wider energy ranges. Using the modeled distribution function, the linear growth rates of the cyclotron instability are calculated numerically. The results suggest that broadening of the VLF emission band near the plasmasphere can be caused by spreading of the ring current electron anisotropy toward higher energies.

Maeda, K.↗

Reduced heat input keyhole welding through improved joint design

An improved high energy density welding method for reducing input keyhole welding prepares the weld joint (8) between two edges (10, 14) of at least one member by separating the edges (10, 14) of the member (12, 16) with a controllable gap (22) by a projecting portion (24) selectively positioned on one edge (10, 14) of the member (12, 16). The projecting portion (24) closely abuts the other edge of the member for maintaining the controlled distance (d) of the controllable gap (22) to enhance the welding method.

Sanders, John M.↗

Alpha-Voltaic Sources Using Diamond as Conversion Medium

A family of proposed miniature sources of power would exploit the direct conversion of the kinetic energy of a particles into electricity in diamond semiconductor diodes. These power sources would function over a wide range of temperatures encountered in terrestrial and outer-space environments. These sources are expected to have operational lifetimes of 10 to 20 years and energy conversion efficiencies >35 percent. A power source according to the proposal would include a pair of devices like that shown in the figure. Each device would contain Schottky and p/n diode devices made from high-band-gap, radiation-hard diamond substrates. The n and p layers in the diode portion would be doped sparsely (<1014 cm-3) in order to maximize the volume of the depletion region and thereby maximize efficiency. The diode layers would be supported by an undoped diamond substrate. The source of a particles would be a thin film of 244Cm (half-life 18 years) sandwiched between the two paired devices. The sandwich arrangement would force almost every a particle to go through the active volume of at least one of the devices. Typical a particle track lengths in the devices would range from 20 to 30 microns. The a particles would be made to stop only in the undoped substrates to prevent damage to the crystalline structures of the diode portions. The overall dimensions of a typical source are expected to be about 2 by 2 by 1 mm. Assuming an initial 244Cm mass of 20 mg, the estimated initial output of the source is 20 mW (a current of 20 mA at a potential of 1 V).

Patel, Jagadish U.↗

Nanoscale Mineralogy and Composition of Experimental Regolith Agglutinates Produced under Asteroidal Impact Conditions

On the Moon, the energetics of smaller impactors and the physical/chemical characteristics of the granular regolith target combine to form a key product of lunar space weathering: chemically reduced shock melts containing optically-active nanophase Fe metal grains (npFe0) [1]. In addition to forming the optically dark glassy matrix phase in lunar agglutinitic soil particles [1], these shock melts are becoming increasingly recognized for their contribution to optically active patina coatings on a wide range of exposed rock and grain surfaces in the lunar regolith [2]. In applying the lessons of lunar space weathering to asteroids, the potential similarities and differences in regolith-hosted shock melts on the Moon compared to those on asteroids has become a topic of increasing interest [3,4]. In a series of impact experiments performed at velocities applicable to the asteroid belt [5], Horz et al. [6] and See and Horz [7] have previously shown that repeated impacts into a gabbroic regolith analog target can produce melt-welded grain aggregates morphologically very similar to lunar agglutinates [6,7]. Although these agglutinate-like particles were extensively analyzed by electron microprobe and scanning electron microscopy (SEM) as part of the original study [7], a microstructural and compositional comparison of these aggregates to lunar soil agglutinates at sub-micron scales has yet to be made. To close this gap, we characterized a representative set of these aggregates using a JEOL 7600 field-emission scanning electron microscope (FE-SEM), and JEOL 2500SE field-emission scanning transmission electron microscope (FE-STEM) both optimized for energy dispersive X-ray spectroscopy (EDX) compositional spectrum imaging at respective analytical spatial resolutions of 0.5 to 1 micron, and 2 to 4 nm.

Christoffersen, Roy↗

Development of Position-Sensitive Magnetic Calorimeters for X-Ray Astronomy

Metallic magnetic calorimeters (MMC) are one of the most promising devices to provide very high energy resolution needed for future astronomical x-ray spectroscopy. MMC detectors can be built to large detector arrays having thousands of pixels. Position-sensitive magnetic (PoSM) microcalorimeters consist of multiple absorbers thermally coupled to one magnetic micro calorimeter. Each absorber element has a different thermal coupling to the MMC, resulting in a distribution of different pulse shapes and enabling position discrimination between the absorber elements. PoSMs therefore achieve the large focal plane area with fewer number of readout channels without compromising spatial sampling. Excellent performance of PoSMs was achieved by optimizing the designs of key parameters such as the thermal conductance among the absorbers, magnetic sensor, and heat sink, as well as the absorber heat capacities. Micro fab ri - cation techniques were developed to construct four-absorber PoSMs, in which each absorber consists of a two-layer composite of bismuth and gold. The energy resolution (FWHM full width at half maximum) was measured to be better than 5 eV at 6 keV x-rays for all four absorbers. Position determination was demonstrated with pulse-shape discrimination, as well as with pulse rise time. X-ray microcalorimeters are usually designed to thermalize as quickly as possible to avoid degradation in energy resolution from position dependence to the pulse shapes. Each pixel consists of an absorber and a temperature sensor, both decoupled from the cold bath through a weak thermal link. Each pixel requires a separate readout channel; for instance, with a SQUID (superconducting quantum interference device). For future astronomy missions where thousands to millions of resolution elements are required, having an individual SQUID readout channel for each pixel becomes difficult. One route to attaining these goals is a position-sensitive detector in which a large continuous or pixilated array of x-ray absorbers shares fewer numbers of temperature sensors. A means of discriminating the signals from different absorber positions, however, needs to be built into the device for each sensor. The design concept for the device is such that the shape of the temperature pulse with time depends on the location of the absorber. This inherent position sensitivity of the signal is then analyzed to determine the location of the event precisely, effectively yielding one device with many sub-pixels. With such devices, the total number of electronic channels required to read out a given number of pixels is significantly reduced. PoSMs were developed that consist of four discrete absorbers connected to a single magnetic sensor. The design concept can be extended to more than four absorbers per sensor. The thermal conductance between the sensor and each absorber is different by design and consequently, the pulse shapes are different depending upon which absorber the xrays are received, allowing position discrimination. A magnetic sensor was used in which a paramagnetic Au:Er temperature-sensitive material is located in a weak magnetic field. Deposition of energy from an x-ray photon causes an increase in temperature, which leads to a change of magnetization of the paramagnetic sensor, which is subsequently read out using a low noise dc-SQUID. The PoSM microcalorimeters are fully microfabricated: the Au:Er sensor is located above the meander, with a thin insulation gap in between. For this position-sensitive device, four electroplated absorbers are thermally linked to the sensor via heat links of different thermal conductance. One pixel is identical to that of a single-pixel design, consisting of an overhanging absorber fabricated directly on top of the sensor. It is therefore very strongly thermally coupled to it. The three other absorbers are supported directly on a silicon-nitride membrane. These absorbers are thermally coupled to the sensor via Ti (5 nm)/Au250 nm) metal links. The strength of the links is parameterized by the number of gold squares making up the link. For detector performance, experimentally different pulse-shapes were demonstrated with 6 keV x-rays, which clearly show different rise times for different absorber positions. For energy resolution measurement, the PoSM was operated at 32 mK with an applied field that was generated using a persistent current of 50 mA. Over the four pixels, energy resolution ranges from 4.4 to 4.7 eV were demonstrated.

Bandler, SImon↗

FLUXNET-CH4: a global, multi-ecosystem dataset and analysis of methane seasonality from freshwater wetlands

Methane (CH4) emissions from natural landscapes constitute roughly half of global CH4 contributions to the atmosphere, yet large uncertainties remain in the absolute magnitude and the seasonality of emission quantities and drivers. Eddy covariance (EC) measurements of CH4 flux are ideal for constraining ecosystem-scale CH4 emissions due to quasi-continuous and high-temporal-resolution CH4 flux measurements, coincident carbon dioxide, water, and energy flux measurements, lack of ecosystem disturbance, and increased availability of datasets over the last decade. Here, we (1) describe the newly published dataset, FLUXNET-CH4 Version 1.0, the first open-source global dataset of CH4 EC measurements (available at https://fluxnet.org/data/fluxnet-ch4-community-product/, last access: 7 April 2021). FLUXNET-CH4 includes half-hourly and daily gap-filled and non-gap-filled aggregated CH4 fluxes and meteorological data from 79 sites globally: 42 freshwater wetlands, 6 brackish and saline wetlands, 7 formerly drained ecosystems, 7 rice paddy sites, 2 lakes, and 15 uplands. Then, we (2) evaluate FLUXNET-CH4 representativeness for freshwater wetland coverage globally because the majority of sites in FLUXNET-CH4 Version 1.0 are freshwater wetlands which are a substantial source of total atmospheric CH4 emissions; and (3) we provide the first global estimates of the seasonal variability and seasonality predictors of freshwater wetland CH4 fluxes. Our representativeness analysis suggests that the freshwater wetland sites in the dataset cover global wetland bioclimatic attributes (encompassing energy, moisture, and vegetation-related parameters) in arctic, boreal, and temperate regions but only sparsely cover humid tropical regions. Seasonality metrics of wetland CH4 emissions vary considerably across latitudinal bands. In freshwater wetlands (except those between 20°S to 20°N) the spring onset of elevated CH4 emissions starts 3 d earlier, and the CH4 emission season lasts 4 d longer, for each degree Celsius increase in mean annual air temperature. On average, the spring onset of increasing CH4 emissions lags behind soil warming by 1 month, with very few sites experiencing increased CH4 emissions prior to the onset of soil warming. In contrast, roughly half of these sites experience the spring onset of rising CH4 emissions prior to the spring increase in gross primary productivity (GPP). The timing of peak summer CH4 emissions does not correlate with the timing for either peak summer temperature or peak GPP. Our results provide seasonality parameters for CH4 modeling and highlight seasonality metrics that cannot be predicted by temperature or GPP (i.e., seasonality of CH4 peak). FLUXNET-CH4 is a powerful new resource for diagnosing and understanding the role of terrestrial ecosystems and climate drivers in the global CH4 cycle, and future additions of sites in tropical ecosystems and site years of data collection will provide added value to this database. All seasonality parameters are available at https://doi.org/10.5281/zenodo.4672601 (Delwiche et al., 2021). Additionally, raw FLUXNET-CH4 data used to extract seasonality parameters can be downloaded from https://fluxnet.org/data/fluxnet-ch4-community-product/ (last access: 7 April 2021), and a complete list of the 79 individual site data DOIs is provided in Table 2 of this paper.

FLUXNET-CH4↗

Electron Beam Could Probe Recombination Centers

Electron beam probe technique estimate electron/hole capture cross sections in semiconductors with wide band gaps. Amplitude-modulated electron beam induces short-circuit current collected by ohmic contacts. Phase shift between this current and electron-beam current measured as function of frequency. Results of measurements used to ascertain recombination rates and energy levels.

Vonroos, O.↗

SiC As An Energetic Particle Detector

Several new technologies have been introduced recently in the region of semiconductor material for solid state detectors (SSD). Of particular interest is silicon carbide (SIC) since its band gap is larger than that of pure silicon, reducing its dark current and making SIC capable of operating at high temperatures and more tolerant of radiation damage. But the trade off is that a higher band gap also means fewer electron hole pairs generated, and thus a smaller signal, for detecting incident radiation. To determine what the lower limit of SiC detectors to energetic particles is, we irradiated a SiC diode with particles ranging in energy from 50 keV to 1.6 MeV and masses from 1 to 16 amu. We found that the SiC detectors sensitivity was comparable to that of pure silicon, with the SiC detector being able to measure particles down to 50 keV/amu and possibly lower.

Yan, F.↗

Effective Inflow Conditions for Turbulence Models in Aerodynamic Calculations

The selection of inflow values at boundaries far upstream of an aircraft is considered, for one- and two-equation turbulence models. Inflow values are distinguished from the ambient values near the aircraft, which may be much smaller. Ambient values should be selected first, and inflow values that will lead to them after the decay second; this is not always possible, especially for the time scale. The two-equation decay during the approach to the aircraft is shown; often, the time scale has been set too short for this decay to be calculated accurately on typical grids. A simple remedy for both issues is to impose floor values for the turbulence variables, outside the viscous sublayer, and it is argued that overriding the equations in this manner is physically justified. Selecting laminar ambient values is easy, if the boundary layers are to be tripped, but a more common practice is to seek ambient values that will cause immediate transition in boundary layers. This opens up a wide range of values, and selection criteria are discussed. The turbulent Reynolds number, or ratio of eddy viscosity to laminar viscosity has a huge dynamic range that makes it unwieldy; it has been widely mis-used, particularly by codes that set upper limits on it. The value of turbulent kinetic energy in a wind tunnel or the atmosphere is also of dubious value as an input to the model. Concretely, the ambient eddy viscosity must be small enough to preserve potential cores in small geometry features, such as flap gaps. The ambient frequency scale should also be small enough, compared with shear rates in the boundary layer. Specific values are recommended and demonstrated for airfoil flows

Spalart, Philippe R.↗

Evaluation of SPE and GCR Radiation Effects in Inflatable, Space Suit and Composite Habitat Materials Project

The radiation resistance of polymeric and composite materials to space radiation is currently based on irradiating materials with Co-60 gamma-radiation to the equivalent total ionizing dose (TID) expected during mission. This is an approximation since gamma-radiation is not truly representative of the particle species; namely, Solar Particle Event (SPE) protons and Galactic Cosmic Ray (GCR) nucleons, encountered in space. In general, the SPE and GCR particle energies are much higher than Co-60 gamma-ray photons, and since the particles have mass, there is a displacement effect due to nuclear collisions between the particle species and the target material. This effort specifically bridges the gap between estimated service lifetimes based on decades old Co-60 gamma-radiation data, and newer assessments of what the service lifetimes actually are based on irradiation with particle species that are more representative of the space radiation environment.

Waller, Jess M.↗

Flat H Redundant Frangible Joint Development

Orion and Commercial Crew Program (CCP) Partners have chosen to use frangible joints for certain separation events. The joints currently available are zero failure tolerant and will be used in mission safety applications. The goal is to further develop a NASA designed redundant frangible joint that will lower flight risk and increase reliability. FY16 testing revealed a successful design in subscale straight test specimens that gained efficiency and supports Orion load requirements. Approach / Innovation A design constraint is that the redundant joint must fit within the current Orion architecture, without the need for additional vehicle modification. This limitation required a design that changed the orientation of the expanding tube assemblies (XTAs), by rotating them 90deg from the standard joint configuration. The change is not trivial and affects the fracture mechanism and structural load paths. To address these changes, the design incorporates cantilevered arms on the break plate. The shock transmission and expansion of the XTA applies force to these arms and creates a prying motion to push the plate walls outward to the point of structural failure at the notched section. The 2014 test design revealed that parts could slip during functioning wasting valuable energy needed to separate the structure with only a single XTA functioning. Dual XTA functioning fully separated the assembly showing a discrepancy can be backed up with redundancy. Work on other fully redundant systems outside NASA is limited to a few patents that have not been subjected to functionality testing Design changes to prevent unwanted slippage (with ICA funding in 2015) showed success with a single XTA. The main goal for FY 2016 was to send the new Flat H RFJ to WSTF where single XTA test failures occurred back in 2014. The plan was to gain efficiency in this design by separating the Flat H RFJ with thicker ligaments with dimensions baselined in 2014. Other modifications included geometry changes to better disperse loads paths and to minimize air gaps. The design additionally added more structural strength to enhance the structural limits in static loads testing. The design also implemented a smoother load line through the assembly. Results / Knowledge Gained The new Flat H RFJ successfully fractured at WSTF with thicker ligaments and lower cord size. Where failure to separate occurred earlier, there is now excessive energy available for structural separation. The new challenge to provide some structural support to prevent secondary fracturing of the break plate remains to be completed. This future work is being funded by the JSC Engineering Directorate in 2017 to elevate the TRL on curved Flat H RFJs that configure with the Orion Service Panel Separation. Additional funding from JSC Engineering will provide new design testing to avoid secondary fracturing.

Brown, Chris↗

Structural properties of bismuth-bearing semiconductor alloys

The structural properties of bismuth-bearing III-V semiconductor alloys are addressed. Because the Bi compounds are not known to form zincblende structures, only the anion-substituted alloys InPBi, InAsBi, and InSbBi are considered candidates as narrow-gap semiconductors. Miscibility calculations indicate that InSbBi will be the most miscible, and InPBi, with the large lattice mismatch of the constituents, will be the most difficult to mix. Calculations of the hardness of the Bi compounds indicate that, once formed, the InPBi alloy will be harder than the other Bi alloys, and substantially harder than the currently favored narrow-gap semiconductor HgCdTe. Thus, although InSbBi may be an easier material to prepare, InPBi promises to be a harder material. Growth of the Bi compounds will require high effective growth temperatures, probably attainable only through the use of nonequilibrium energy-assisted epitaxial growth techniques.

Berding, M. A.↗

Influence of gap states on the nonresonant second hyperpolarizabilities of conjugated organic polymers

The presence of conjugation and substitution defects introduces gap states in finite polyenes that are shown to influence the size and sign of the second molecular hyperpolarizability (SMH). Using a one-electron tight-binding model, the dependence of SMH on the defect-state occupancy and energy in finite polyenes is calculated. Defects can cause a significant decrease or enhancement of SMH by impeding charge delocalization or by creating partly filled bands (mimicking the one-band limit), respectively. Concomitant sign changes in SMH are predicted. Calculation results suggest strategies for designing molecules that can be either photochemically or electrochemically switched between states with considerably different SMHs.

Beratan, David N.↗