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At least 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
NASA NTRS2001

X-Ray Characterization of Structural Defects in Seeded and Self-Seeded ZnSe Crystal Grown by PVT in Horizontal and Vertical Configurations

As part of a pre-flight ground based investigation of crystal growth of II-VI compound semiconductors, a number of ZnSe boules have been grown by physical vapor transport (PVT) at Marshall Space Flight Center. Boules were grown in both horizontal and vertical configurations and seeded and self-seeded growth techniques were employed. As-grown and/or cleaved boules were examined by a combination of synchrotron white beam x-ray topography (SWBXT) and high resolution triple axis diffraction (HRTXD) to characterized the structural defects and correlate them with the growth conditions. Horizontal grown boules tend to grow away from the ampoule wall (contactless growth) and generally exhibit large (110) facets parallel to the gravity vector. Vertical grown boules grew to the full diameter of the ampoule and exhibited no faceting. X-ray topography combined with back reflection x-ray diffraction revealed the presence of lamellar twins (180 deg type about the [111] axis) in horizontal grown boules while vertically grown boules contain a few large grains, some of which are twinned. X-ray topographs and reciprocal space maps recorded from the boules show the better crystal quality of horizontal grown boules. The relationship between crystal quality and gravity vector is investigated. Further, an attempt is made to extend the Hurle theory of twin nucleation in Czochralski grown crystals to explain the twinning mechanisms in horizontal grown boules.

Raghothamachar, B.↗
NASA NTRS2022

Effect of Ni2+, Zn2+, and Co2+ on green rust transformation to magnetite

In this study, we investigated Ni2+, Zn2+, and Co2+ mineralogical incorporation and its effect on green rust transformation to magnetite. Mineral transformation experiments were conducted by heating green rust suspensions at 85 °C in the presence of Ni2+, Zn2+, or Co2+ under strict anoxic conditions. Transmission electron microscopy and powder X-ray diffraction showed the conversion of hexagonal green rust platelets to fine grained cubic magnetite crystals. The addition of Ni2+, Zn2+, and Co2+ resulted in faster rates of mineral transformation. The conversion of green rust to magnetite was concurrent to significant increases in metal uptake, demonstrating a strong affinity for metal sorption/ co-precipitation by magnetite. Dissolution ratio curves showed that Ni2+, Zn2+, and Co2+ cations were incorporated into the mineral structure during magnetite crystal growth. The results indicate that the transformation of green rust to magnetite is accelerated by metal impurities, and that magnetite is a highly effective scavenger of trace metals during mineral transformation. The implications for using diagenetic magnetite from green rust precursors as paleoproxies of Precambrian ocean chemistry are discussed.

Hydrosulfate green rust↗
DOE OSTI2025

Mesoscale modeling of restructuring in high burnup UO 2 fuel

Here, this work aims to simulate the restructuring behavior observed in different regions of high burnup fuel, providing a first-of-its-kind restructuring model for the dark zone and rim region of high-burnup UO 2 fuel. We employed a grand-potential-based phase-field model to concurrently evaluate subgrain formation and the growth of fission gas bubbles within the fuel. An energy-based subgrain formation criterion was introduced to simulate the restructuring process. The effects of different initial conditions and different modeling parameters were systematically studied to capture how each of these parameters influences the characteristics of the restructured fuel. Subgrain formation was observed to begin around existing fission gas bubbles and proceed toward triple junctions, grain boundaries, and grain interiors. Restructuring was demonstrated to be influenced by a combination of initial dislocation densities, burnup rate, subgrain formation rate, and temperature. Under a given subgrain formation rate, the rate of restructuring increases with rising fuel temperature. A restructuring bias was observed within the microstructure, due to the variation in defect accumulation when comparing different grains. Microstructures corresponding to the dark zone and rim region can be obtained by parameterizing the model with the appropriate defect production rate, as determined based on the burnup rate and temperature. Furthermore, bubble size and distribution do not significantly affect the rate of restructuring. The predicted microstructures are consistent with experimental observations of the restructured regions. Finally, we present a correlation demonstrating the evolution of the restructuring volume fraction as a function of local burnup.

UO2↗
DOE OSTI2020

Influence of Hydrogen and Oxygen on the Structure and Properties of Sputtered Magnesium Zirconium Oxynitride Thin Films

Nitride materials with mixed ionic and covalent bonding character and resulting good charge transport properties are attractive for optoelectronic devices. Recently, Mg-based ternary nitride materials were found to have large dielectric constants and high absorption coefficients with bandgaps appropriate for photovoltaic applications. However, their degenerate carrier concentrations still hinder their possible applications in solar cells and related optoelectronic devices. Therefore, further understanding and engineering of the parameters controlling the material properties of these ternary nitrides is highly desirable. In this paper we report that the structural, optical and electrical properties of magnesium zirconium oxynitride (MZNO) thin films synthesized by combinatorial sputtering with a wide range of cation compositions can be affected by incorporation of oxygen and hydrogen. Excess oxygen improved the crystallinity of MZNO thin films whereas hydrogen attracted oxygen and formed Mg-rich oxide layers at the grain boundaries which in turn reduced the conductivity. On the other hand, optical properties are more sensitive to the composition – both cation and anion ratios – rather than the presence of hydrogen. Compared to cation-stoichiometric MZNO (10 19 –10 20 cm -3 ), substantial reduction of carrier concentration down to ~10 14 cm -3 was achieved under Mg-rich conditions by supplying hydrogen during growth. Photoluminescence measurements showed that the films prepared with hydrogen were optoelectronically active. Overall, this study demonstrates that the material properties of MZN thin films can be significantly influenced by incorporation of oxygen and hydrogen.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Large-area silicon sheet task

A set of computer models was used to define a growth system configuration that was then built and used to grow web with lower thermally generated stress. Aspects of research in the edge-defined film-fed growth (EFG) method of making Si ribbon are reported. A technique was developed to determine base resistivity and carrier lifetime in semicrystalline wafers. Automated growth of 150 kg of 15 cm-dia ingot material per crucible is reviewed. Scanning transmisson electron microscopy (STEM) and microprobe investigations of processed EFG ribbon are reported. The chemical composition of the large precipitates was studied. The structural arrangement and the electrical activity of distentions or close to the central twin plane in processed material were studied. The electrical and structural properties of grain boundaries in silicon are discussed. Temperature-dependence measurements of zero-bias conductance, a photoconductivity technique, and deep-level transient spectroscopy (DLTS) were developed. A grooving and staining technique, secondary ion mass spectroscopy, and EBIC measurements in scanning electron microscopy were used to study enhanced diffusion of phosphorus at grain boundaries in polycrystaline silicon. The fundamental mechanisms of abrasion and wear and the deformation of Si by a diamond in various fluid environments are described. The efficiency of solar cells made from EFG ribbon and Semix Inc. material is reported.

Morrison, A. D.↗
DOE OSTI2021

Multimodal X-ray Microscopy: The Kinetics of Cu in CdTe Absorbers

The behavior of solar cells is very often limited by inhomogeneously distributed nanoscale defects. This is the case throughout the entire lifecycle of the solar cell, from the distribution of elements and defects during solar cell growth as well as the charge-collection and recombination during operation, to degradation and failure mechanisms due to impurity diffusion, crack formation, and irradiation- and heat-induced cell damage This has been known for a while in the field of crystalline silicon, but inhomogeneities are far more abundant in polycrystalline materials, and are the limiting factor in thin-film solar cells where grain sizes are often on the order of the diffusion length. We showed that the high penetration of hard X-rays combined with the high sensitivity to elemental distribution, structure, and spatial resolution offers a unique avenue for highly correlative studies at the nanoscale. We presented results on Cu-doped CdTe, where carrier collection is directly correlated to the kinetics of Cu inside the absorber and the particular Cu-phases at the ZnTe/CdTe interface. We complemented the results with modeling using PVRD-FASP and PyCDTS, where the X-ray beam induced profile can be reproduced by the equilibrium defect concentrations proposed by the solvers.

Bertoni, Mariana↗
DOE OSTI2024

Phase-field modeling for restructuring in the dark zone of high burnup UO 2

This report summarizes the mesoscale modeling work performed in fiscal year 2024 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstructural evolution and restructuring observed in the dark regions of high burnup UO 2 nuclear fuel. This is the first attempt to realistically simulate the restructuring behavior observed in different region of a high burnup fuel. We employ a grand-potential based phase-field model to concurrently evaluate the formation of subgrains and growth of fission bubbles within the fuel. A energy-based subgrain formation criteria is introduced to simulate the restructuring process. Effect of different initial conditions and different modeling parameters are studies systematically to capture how each of these parameters influence the characteristics of the restructured fuel. It is observed that the subgrain formation begins around existing fission gas bubbles and then proceeds towards triple junctions, grain boundaries and grain interiors. It is demonstrated that restructuring is influenced by a combination of initial dislocation densities, subgrain formation rate, and temperature. Rate of restructuring increases with increase in fuel temperature. A restructuring bias is observed within the microstructure due to variation in defect accumulation among different grains. Furthermore, bubble sizes and distribution does not have a significant effect on rate of restructuring. The predicted microstructures resembles the characteristics of the restructured regions as observed in experiments. Finally, a correlation is presented that demonstrates the evolution of the restructuring volume fraction as a function of local effective burnup. This work provides a first of its kind restructuring model for darkzone that can be used by BISON for performance prediction of high burnup UO 2 fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1984

Minor elements and cathodoluminescence of Mg-rich olivines from Murchison and Allende carbonaceous meteorites

The morphology and inclusions of individual Mg rich olivine grains from C2 chondrites provide disputed evidence for origin either from a liquid or a vapor. Olivine grains from Murchison (C2) and Allende (C3) meteorites were examined to extend data on Belgica 7904 (C2. Cathodoluminescence revealed the relation of chemical zoning to external shape and inclusions. High precision electron probe analyses of selected spots for Na, Al, P, Ca, Ti, Cr and Mn provided chemical constraints on the source material. From several possible explanations tentative suggestions are for at least two stages: (1) growth of the blue core from a vapor enriched in refractory elements (hence lack of inclusions); and (2) growth of red/dark rim from an unenriched liquid which entrapped the blue core. Mechanical transfer may be involved. The channels and networks are puzzling at this time. Whatever the true explanation, a complex history is needed for a simple mineral, and further study should provide additional restraints on formation of carbonaceous meteorites.

Steele, I. M.↗
DOE OSTI2021

Robust, High-Performing Maize–Perovskite-Based Solar Cells with Improved Stability

Herein, we focus on improving the long-term chemical and thermomechan-ical stability of perovskite solar cells (PSCs), two major challenges currently limiting their commercial deployment. Our strategy incorporates a long-chain starch polymer into the perovskite precursor. The starch polymer confers multiple beneficial effects by forming hydrogen bonds with the methylammonium iodide precursor, templating perovskite growth that results in a compact and homogeneous film deposited in a simple one-step coating (antisolvent-free). The inclusion of starch in the methylammonium lead iodide films strongly improves their thermomechanical and environmental stability while maintaining a high photovoltaic performance. The fracture energy (G c ) of the film is increased to above 5 J/m 2 by creating a nanocomposite that provides intrinsic reinforcement at grain boundaries. Additionally, improved optoelectronic properties achieved with the starch polymer enable good photostability of the active layer and enhanced resistance to thermal cycling.

14 SOLAR ENERGY↗
NASA NTRS1975

Feasibility investigation of growing gallium arsenide single crystals in ribbon form

Polycrystalline GaAs ribbons have been grown in graphite boats by passage of a wide zone through B2O3 encapsulated feed stock, confined by a quartz cover plate. By controlling the heat flow in the graphite boat and controlling the zoning rate, large grained, single phase polycrystalline samples with directional solidification and good thickness control were achieved. Arsenic vaporization was effectively suppressed at the melting point of GaAs by the B2O3 moat and 3 atmospheres of pressure. A vertical constrained-zone-melting apparatus with a B2O3 moat seal, rf heating, and water cooling on the bottom will be used to control the heat flow and temperature patterns required for growth of single crystal ribbons.

Richardson, D. L.↗
NASA NTRS1991

Nature and history of the organic compounds in comets - An astrophysical view

The chemical similarities between comets, carbonaceous chondrites, and interstellar molecules and grains are reviewed first. The evolution of frosty interstellar grains is then followed during the collapse of a molecular cloud fragment and the subsequent formation of the Solar System. The paradigm clarifies the probable origin of the two populations of comets of different symmetry (the Oort Cloud and the Kuiper Belt) and implies an exogenous origin for all carbon and water on earth. This origin is explained by the orbital diffusion of planetesimals that is required by the growth of protoplanets.

Delsemme, A. H.↗
NASA NTRS2019

Global Response Patterns of Major Rainfed Crops to Adaptation by Maintaining Current Growing Periods and Irrigation

Increasing temperature trends are expected to impact yields of major field crops by affecting various plant processes, such as phenology, growth, and evapotranspiration. However, future projections typically do not consider the effects of agronomic adaptation in farming practices. We use an ensemble of seven Global Gridded Crop Models to quantify the impacts and adaptation potential of field crops under increasing temperature up to 6 K, accounting for model uncertainty. We find that without adaptation, the dominant effect of temperature increase is to shorten the growing period and to reduce grain yields and production. We then test the potential of two agronomic measures to combat warming-induced yield reduction: (i) use of cultivars with adjusted phenology to regain the reference growing period duration and (ii) conversion of rainfed systems to irrigated ones in order to alleviate the negative temperature effects that are mediated by crop evapotranspiration. We find that cultivar adaptation can fully compensate global production losses up to 2 K of temperature increase, with larger potentials in continental and temperate regions. Irrigation could also compensate production losses, but its potential is highest in arid regions, where irrigation expansion would be constrained by water scarcity. Moreover, we discuss that irrigation is not a true adaptation measure but rather an intensification strategy, as it equally increases production under any temperature level. In the tropics, even when introducing both adapted cultivars and irrigation, crop production declines already at moderate warming, making adaptation particularly challenging in these areas.

Minoli, Sara↗
DOE OSTI2022

Performance Study of Virtual Frisch Grid CdZnTeSe Detectors

Nuclear detectors for x-ray and gamma-ray spectroscopy and imaging are a vital tool in many homeland security, medical imaging, astrophysics and other applications. Most of these applications require room-temperature operation due to the operational constraints imposed by a cryogenic cooling system. CdZnTe (CZT) has been the main material with the desired detection properties, and CZT crystals have been used commercially for three decades. However, CdZnTe still suffers from long-standing issues of high densities of performance-limiting intrinsic defects such as Te inclusions and networks of dislocation walls (sub-grain boundaries). A recently invented new quaternary material CdZnTeSe showed excellent material properties for radiation detection. The material was found to be free from dislocation networks, possess reduced Te inclusions, and have better compositional homogeneity. Virtual Frisch grid detectors were fabricated from crystals taken from a CdZnTeSe ingot that was grown by the traveling heater method. The detectors were fabricated from an as-grown ingot, bypassing the post-growth annealing process commonly practiced for industrial-grade CZT. The performances of the detectors were studied with different Frisch grid lengths using an amplifier shaping time ranging from 1–6 µs. The detectors showed high-quality spectroscopic performance with an as-measured energy resolution of ~1.1% at 662 keV for an optimum Frisch grid length of 3 mm. The charge collection was observed to enhance for longer Frisch grids.

47 OTHER INSTRUMENTATION↗
NASA NTRS1980

Characterization of deliberately nickel-doped silicon wafers and solar cells

Microstructural and electrical evaluation tests were performed on nickel-doped p-type silicon wafers before and after solar cell fabrication. The concentration levels of nickel in silicon were 5 x 10 to the 14th power, 4 x 10 to the 15th power, and 8 x 10 to the 15th power atoms/cu cm. It was found that nickel precipitated out during the growth process in all three ingots. Clumps of precipitates, some of which exhibited star shape, were present at different depths. If the clumps are distributed at depths approximately 20 micron apart and if they are larger than 10 micron in diameter, degradation occurs in solar cell electrical properties and cell conversion efficiency. The larger the size of the precipitate clump, the greater the degradation in solar cell efficiency. A large grain boundary around the cell effective area acted as a gettering center for the precipitates and impurities and caused improvement in solar cell efficiency. Details of the evaluation test results are given.

Salama, A. M.↗
NASA NTRS1984

Improving crop classification through attention to the timing of airborne radar acquisitions

Radar remote sensors may provide valuable input to crop classification procedures because of (1) their independence of weather conditions and solar illumination, and (2) their ability to respond to differences in crop type. Manual classification of multidate synthetic aperture radar (SAR) imagery resulted in an overall accuracy of 83 percent for corn, forest, grain, and 'other' cover types. Forests and corn fields were identified with accuracies approaching or exceeding 90 percent. Grain fields and 'other' fields were often confused with each other, resulting in classification accuracies of 51 and 66 percent, respectively. The 83 percent correct classification represents a 10 percent improvement when compared to similar SAR data for the same area collected at alternate time periods in 1978. These results demonstrate that improvements in crop classification accuracy can be achieved with SAR data by synchronizing data collection times with crop growth stages in order to maximize differences in the geometric and dielectric properties of the cover types of interest.

Brisco, B.↗
NASA NTRS1988

Molecular-beam epitaxy of CrSi2 on Si(111)

The growth of CrSi2 on Si(111) in a commercial MBE system with a base pressure in the low 10 to the -11th torr range is reported. CrSi2 layers grown on Si(111) exhibit a strong tendency to form islands. Two particular epitaxial relationships are identified. Thick (210 nm) layers have been grown by four different techniques, with best results obtained by codepositing Cr and Si at elevated temperature. The grain size is observed to increase with substrate temperature, reaching 1-2 microns in a layer deposited at 825 C.

Fathauer, R. W.↗
DOE OSTI2022

Diffusional lithium trapping as a failure mechanism of aluminum foil anodes in lithium-ion batteries

Aluminum foils are an appealing anode for lithium-ion batteries due to high capacity and low-cost, but their viability has been limited due to poor cyclability arising from pulverization and solid-electrolyte interphase growth. Here, we show that significant capacity degradation of aluminum foil anodes during electrochemical cycling also occurs due to diffusional lithium trapping. Scanning electron microscopy of cross-sectioned, cycled foils in the delithiated state reveals large regions of β-LiAl that are passivated by a surface layer of α-Al, which has poor Li + diffusivity. It is found that lithium diffusion occurs preferentially along the β-LiAl grain boundaries, so the grain structure after initial lithiation significantly affects the trapping behavior. Diffusional lithium trapping is exacerbated by both higher delithiation rates and higher areal capacity, presenting a challenge towards commercialization of aluminum foil anodes. We further demonstrate that diffusional trapping in aluminum foil anodes can be mitigated through alloy design, with the addition of 2–3 wt% Li yielding improved first cycle efficiency, and the addition of 1 wt% Si yielding improved cycle life. These results provide a mechanistic understanding of diffusional lithium trapping in aluminum foil anodes and highlight compositional design of alloys as a promising strategy to overcome it.

25 ENERGY STORAGE↗
NASA NTRS1991

Microstructural and magnetic characterization of rapidly solidified and annealed Pt-Co-B alloys

Significant increases in intrinsic coercivity (Hic) of Pt-Co alloys have been obtained by the addition of boron and the application of rapid solidification processing. After rapid solidification by double anvil splat quenching with subsequent annealing at 650 C for 30 min, an alloy of Pt42Co45B13 exhibits an Hic as high as 14 kOe. Annealing of the Pt-Co-B influences the L1(0) superlattice structure and grain size of the matrix, the crystal structure and size of Co-boride precipitate, and the distribution of magnetic domain walls. A microstructural analysis shows that the maximum H(ic) occurs when Co borides, having the Co3B structure, are within the single magnetic domain size. The magnetic hardening mechanism in Pt-Co-B is believed to be a combination of inhibited magnetic domain nucleation and difficult reverse magnetic domain growth caused by the interaction of the magnetically anisotropic Co borides with the L1(0) Pt-Co matrix.

Qiu, N.↗