Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “polycrystalline material”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
NASA NTRS1984

Amorphous metallic films in silicon metallization systems

The general objective was to determine the potential of amorphous metallic thin films as a means of improving the stability of metallic contacts to a silicon substrate. The specific objective pursued was to determine the role of nitrogen in the formation and the resulting properties of amorphous thin-film diffusion barriers. Amorphous metallic films are attractive as diffusion barriers because of the low atomic diffusivity in these materials. Previous investigations revealed that in meeting this condition alone, good diffusion barriers are not necessarily obtained, because amorphous films can react with an adjacent medium (e.g., Si, Al) before they recrystallize. In the case of a silicon single-crystalline substrate, correlation exists between the temperature at which an amorphous metallic binary thin film reacts and the temperatures at which the films made of the same two metallic elements react individually. Amorphous binary films made of Zr and W were investigated. Both react with Si individually only at elevated temperatures. It was confirmed that such films react with Si only above 700 C when annealed in vacuum for 30 min. Amorphous W-N films were also investigated. They are more stable as barriers between Al and Si than polycrystalline W. Nitrogen effectively prevents the W-Al reaction that sets in at 500 C with polycrystalline W.

Nicolet, M. A.↗
NASA NTRS1980

Effects of grain boundaries in polycrystalline solar cells

In polycrystalline solar cells, the short-circuit current is reduced (compared to single-crystal cells) due to recombination of minority carriers at the grain boundaries. The magnitude of this reduction is calculated for the case of a monochromatic beam of light, assuming that both the light beam and the grain boundaries are perpendicular to a p-n junction. The photoresponse of the junction is calculated in terms of the absorption coefficient of the light, the minority-carrier diffusion length, the surface recombination velocity at the grain boundary and the distance of the light beam from the grain boundary. The analysis gives an expression for an effective grain boundary width which depends on wavelength. This width determines the reduction in short-circuit current of solar cells made from material with columnar-type grains.

Zook, J. D.↗
NASA NTRS2006

Coating MCPs with AlN and GaN

A development effort underway at the time of reporting the information for this article is devoted to increasing the sensitivity of microchannel plates (MCPs) as detectors of photons and ions by coating the MCPs with nitrides of elements in period III of the periodic table. Conventional MCPs are relatively insensitive to slowly moving, large-mass ions for example, ions of biomolecules under analysis in mass spectrometers. The idea underlying this development is to coat an MCP to reduce its work function (decrease its electron affinity) in order to increase both (1) the emission of electrons in response to impingement of low-energy, large-mass ions and (2) the multiplying effect of secondary electron emission. Of particular interest as coating materials having appropriately low or even negative electron affinities are gallium nitride, aluminum nitride, and ternary alloys of general composition Al(x)Ga(1-x)N (where 0<x<1). These materials exhibit attractively high degrees of chemical, mechanical, and thermal stability plus acceptably high resistance to sputtering. The electron-excitation cross sections of these materials are expected to exceed those of several other materials (including diamond) that are, variously, in use or under development for the same purpose. Moreover, by doping these materials with silicon, one can render them partly electrically conductive, thereby suppressing the undesired accumulation of electric charge that could otherwise occur during bombardment by ions. For experiments, thin films of AlN and GaN both undoped and doped with Si were deposited on commercial MCPs by radio-frequency molecular-beam epitaxy (also known as plasma-assisted molecular-beam epitaxy) at temperatures <200 C. This deposition technique is particularly suitable because (1) MCPs cannot withstand the higher deposition-substrate temperatures used to decompose constituent compounds in some other deposition techniques and (2) in this technique, the constituent Al, Ga, and N are supplied in elemental form, so that there is no need for thermal decomposition at the substrate surface. The nitride films thus formed were, variously, amorphous or polycrystalline. The nitride films were coated with surface layers of gold <100 thick. The MCPs were tested in a standard configuration in which the output stage of a first MCP was coupled to the input stage of a second MCP. Each pair of MCPs was mounted in a standard holder that included front and back contact rings and an anode for collecting the output electrons of the second MCP. The MCP pairs were biased at potentials between 1.7 and 1.9 kV, and count rates measured after preamplification and discrimination. To enable a direct comparison, in one pair, the second MCP was uncoated while the first MCP was coated over half its surface. The coated and uncoated sides of the half-coated MCP were exposed to fluxes of argon ions at kinetic energies of 1.0 and 0.5 keV. At 1.0 keV, the count rate for the coated side was about 2.3 times greater than that for the uncoated side; at 0.5 keV, the count rate for the coated side was about 1.8 times greater than that for the uncoated side.

Bensaoula, Abdelhakim↗
DOE OSTI2022

The Evolution of LiNi 0.5 Mn 0.3 Co 0.2 O 2 Particle Damage from Fast Charging in Optimized, Full Li-Ion Cells

Fast charging batteries are critical to the widespread adoption of electric vehicles to compete with refueling times of combustion-based vehicles. In the near term, adapting current commercial battery technologies to perform better under fast charging conditions through engineering optimizations will greatly expedite the process while exploratory fast-charging electrode materials are being pursued. To do so, the degradation modes in optimized Li-ion batteries need to be completely explored to understand fast charging limits while maintaining a high energy density and a long cycle life. While lithium plating on graphite still remains a challenge, cathode degradation also plays a key role in battery performance. In this work, we used nano- and micro-X-ray computed tomography to characterize the mechanical degradation of LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC532) in optimized Li-ion batteries cycled at three rates, 1C, 6C, and 9C, and at different stages of cycle life, 225 and 600 cycles. We report despite using a conservative upper voltage cutoff limit aimed to minimize extensive cathode degradation, higher charging rates and increased cycling caused the polycrystalline NMC532 particles to fracture and pulverize, which likely drives cathode capacity fade and contributes to the decrease in overall cell performance.

25 ENERGY STORAGE↗
DOE OSTI2025

Athermal phonon collection efficiency in diamond crystals for low mass dark matter detection

Here, we explored the efficacy of lab-grown diamonds as potential target materials for the direct detection of sub-GeV dark matter (DM) using metallic magnetic calorimeters (MMCs). Diamond, with its excellent phononic properties and the low atomic mass of the constituent carbon, can play a crucial role in detecting low mass dark matter particles. The relatively long electron-hole pair lifetime inside the crystal may provide discrimination power between the DM-induced nuclear recoil events and the background-induced electron recoil events. Utilizing the fast response times of the MMCs and their unique geometric versatility, we deployed a novel methodology for quantifying phonon dynamics inside diamond crystals. We demonstrated that lab-grown diamond crystals fabricated via the chemical vapor deposition (CVD) technique can satisfy the stringent quality requirements for sub-GeV dark matter searches. The high-quality polycrystalline CVD diamond showed a superior athermal phonon collection efficiency compared to that of the reference sapphire crystal, and achieved energy resolution 62.7 eV at the 8.05 keV copper fluorescence line. With this energy resolution, we explored the low-energy range below 100 eV and confirmed the existence of so-called low-energy excess (LEE) reported by multiple cryogenic experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Developing techniques for crystal growth synthesis and characterization of rare earth-silicon-germanium magnetoresponsive alloys

In this study, a crystal growth technique was developed for the family of intermetallic, magnetoresponsive RE 5 (Si 1-x Ge x ) 4 alloys in order to access the intrinsic and anisotropic properties. Initial bulk properties measured on polycrystalline samples alluded to the properties being obscured or averaged and high-quality, well-characterized, single crystals would clarify this. Successful crystal growth led to development of oriented sample preparation techniques specific for the crystal structures (monoclinic and orthorhombic) and mechanical properties (hard and brittle) of these alloys, and customized for the various measurement techniques undertaken. Here we describe our journey, sometimes circuitous, from crystal growth to sample preparation and cite the scientific discoveries that came about as a result.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Oxide-Free Three-Dimensional Germanium/Silicon Core–Shell Metalattice Made by High-Pressure Confined Chemical Vapor Deposition

Metalattices are crystalline arrays of uniform particles in which the period of the crystal is close to some characteristic physical length scale of the material. In this work, we explore the synthesis and properties of a germanium metalattice in which the similar to 70 nm periodicity of a silica colloidal crystal template is close to the similar to 24 nm Bohr exciton radius of the nanocrystalline Ge replica. The problem of Ge surface oxidation can be significant when exploring quantum confinement effects or designing electronically coupled nanostructures because of the high surface area to volume ratio at the nanoscale. To eliminate surface oxidation, we developed a coreshell synthesis in which the Ge metalattice is protected by an oxide-free Si interfacial layer, and we explore its properties by transmission electron microscopy (TEM), Raman spectroscopy, and electron energy loss spectroscopy (EELS). The interstices of a colloidal crystal film grown from 69 nm diameter spherical silica particles were filled with polycrystalline Ge by high-pressure confined chemical vapor deposition (HPcCVD) from GeH4. After the SiO2 template was etched away with aqueous HF, the Ge replica was uniformly coated with an amorphous Si shell by HPcCVD as confirmed by TEM-EDS (energy-dispersive X-ray spectroscopy) and Raman spectroscopy. Formation of the shell prevents oxidation of the Ge core within the detection limit of XPS. The electronic properties of the core-shell structure were studied by accessing the Ge 3d edge onset using STEM-EELS. A blue shift in the edge onset with decreasing size of Ge sites in the metalattices suggests quantum confinement of the Ge core. The degree of quantum confinement of the Ge core depends on the void sizes in the template, which is tunable by using silica particles of varying size. The edge onset also shows a shift to higher energy near the shell in comparison with the Ge core. This shift along with the observation of Ge-Si vibrational modes in the Raman spectrum indicate interdiffusion of Ge and Si. Both the size of the voids in the template and core-shell interdiffusion of Si and Ge can in principle be tuned to modify the electronic properties of the Ge metalattice.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

CdTe Core: Final Technical Report (FTR)

CdTe is presently the cost-leading thin-film PV technology, directly competing with Si at scale, even when domestically manufactured. While an impressive technology, its efficiency remains much below the detailed balance limit with the largest cause due to its low photovoltage and fill factor. To realize gains, the carrier concentration, minority carrier lifetime, and interface recombination all need to be improved simultaneously over historic levels. Using a new defect chemistry (group V doping instead of copper) has been identified as a viable route using single crystal systems. This project focused on implementing this new defect chemistry in scalable, polycrystalline thin-film photovoltaic CdTe devices with tasks focusing improvements to the front interface, absorber, and rear interface as well as capability development & stakeholder engagement. The goal of the project was to establish a strategy using devices, test structures, detailed characterization, and modeling to quantify the sources of losses in state-of-the-art CdTe photovoltaic devices. Using this strategy and advanced synthesis, losses at the front interface, absorber, and rear interface were worked on in parallel. The final objective was to significantly improve the voltage deficit in CdTe devices to enable improvements in photovoltage and efficiency that can be implemented by industry in the near-term. Over the course of the project, the team developed new characterization techniques, analysis, and modeling which were then applied to state-of-the-art materials generated internally and collaboratively. In particular to enable rapid progress, NREL worked closely with First Solar where NREL grew complete devices as well as ones that interleaved process steps where First Solar had completed different steps such as absorber growth or absorber growth and activation using their baseline methods. Using detailed characterization and analysis including photoemission, photoluminescence, and scanning probe techniques enabled understanding of the loss pathways and area for improvements in our own and First Solar s materials. Ultimately, this contributed to the first series of new world record CdTe efficiencies since 2016, culminating in a 23.1% certified cell that was P-doped along with As-doped cells of similar performance. Internally, NREL improved the statistical variation in baseline As-doped devices and improved average photovoltage by over 100 mV. This was done through an improvement in absorber quality, changed front interface, and improved back contact. In addition to materially improving the fabrication processes at NREL, characterization, analysis, and modeling were developed and disseminated. NREL also played a pivotal role in community building over the course of this project working closely with the Cadmium Telluride Accelerator Consortium. NREL worked in a series of collaborations with academic and industry partners, leveraging knowledge and innovations from this project, as well as helped organize a series of workshops to ensure rapid progress in the field. Working closely with the academic community has led to a dissemination of knowledge; working with First Solar as increased US competitiveness First Solar expanded domestic production to ~10 GW and opened new facilities.

14 SOLAR ENERGY↗
DOE OSTI2023

Nanopinhole Passivating Contact Si Solar Cells Fabricated with Metal-Assisted Chemical Etching

Monocrystalline Si (c-Si) solar cells with passivating contacts based on doped polycrystalline Si (poly-Si) on ≈2.0 nm silicon oxide (SiO x ) require >1000 °C thermal processing to create conducting pinholes in the SiO x layer. However, this high thermal budget can induce bulk defects in the Czochralski c-Si wafers used as the cell absorber layer. We demonstrate that pinholes can instead be created using metal-assisted chemical etching on planar or textured morphologies, at room temperature. This wet process creates up to 200 nm wide conducting pinholes that are directly observed with transmission electron and atomic force microscopies. High-performance hole-selective poly-Si/SiN y /SiO x and electron-selective poly-Si/SiO x passivating contacts are fabricated and implemented in laboratory-scale solar cells. This process development significantly broadens the range of passivation layer materials, their thicknesses, and surface morphologies, which enables the design of poly-Si contacts with superior passivating quality.

14 SOLAR ENERGY↗
DOE OSTI2021

Acoustic velocities, elasticity, and pressure-induced elastic softening in compressed neodymium

For the first time, the acoustic velocities and elasticity of double hexagonal close-packed neodymium (Nd) were measured at high pressure using ultrasonic interferometry in conjunction with synchrotron X-ray techniques. Here, both the compressional and shear wave velocities increased with an increase in pressure of up to ~5.4 GPa before they exhibited almost constant values upon further compression. This pressure-induced elastic wave velocity softening can be attributed to the structural instability in dhcp-Nd. From the current sound velocities and density data, we obtained new bulk and shear moduli as well as their pressure dependence for polycrystalline dhcp-Nd, yielding $B_0$=33.2(9) GPa, $G_0$=14.1(5) GPa, $\partial$$B/$$\partial$$P$ = 3.6 (4) and $\partial$$=G/$$\partial$$P$ = 1.3 (2) while other elasticity-related/mechanical properties, including Young's modulus, Debye temperature, Poisson's ratio, and Grüneisen parameter, which are important parameters for the application of Nd in extreme environments, were also derived.

36 MATERIALS SCIENCE↗
DOE OSTI2022

In-situ visualization of the transition metal dissolution in layered cathodes

Transition metal dissolution in layered cathodes is one of the most intractable issues that deteriorates the battery performance and lifetime. It not only aggravates the structure degradation in cathode, but also damages the solid electrolyte interphase in anode and even induce the formation of lithium dendrites. In this work, we investigate the dissolution behaviors of polycrystalline and single-crystalline layered cathode via operando X-ray imaging techniques. The described cathode particle morphology appears to have a significant impact on the evolution of the dissolution dynamics. As a mitigation strategy, we reveal that doping with trace amount of Zr in the layered cathode could improve its robustness against the transition metal dissolution. Our finding provides valuable insights for designing the next-generation highly-stable layered battery cathodes.

25 ENERGY STORAGE↗
NASA NTRS1995

Directional Solidification and Mechanical Properties of NiAl-NiAlTa Alloys

Directional solidification of eutectic alloys is a promising technique for producing in-situ composite materials exhibiting a balance of properties. Consequently, the microstructure, creep strength and fracture toughness of directionally solidified NiAl-NiAlTa alloys were investigated. Directional solidification was performed by containerless processing techniques to minimize alloy contamination. The eutectic composition was found to be NiAl-15.5 at% Ta and well-aligned microstructures were produced at this composition. A near-eutectic alloy of NiAl-14.5Ta was also investigated. Directional solidification of the near-eutectic composition resulted in microstructures consisting of NiAl dendrites surrounded by aligned eutectic regions. The off-eutectic alloy exhibited promising compressive creep strengths compared to other NiAl-based intermetallics, while preliminary testing indicated that the eutectic alloy was competitive with Ni-base single crystal superalloys. The room temperature toughness of these two-phase alloys was similar to that of polycrystalline NiAl even with the presence of the brittle Laves phase NiAlTa.

Johnson, D. R.↗
DOE OSTI2026

Formation of carbon homonuclear bonds in β-SiC under neutron irradiation at various temperatures and neutron doses

To elucidate radiation defect processes in SiC, Raman spectroscopy was systematically applied to high-purity, polycrystalline β-SiC that was neutron irradiated at a range of temperature and dose conditions. The analysis specifically focused on formation of carbon homonuclear bonds by irradiation; these bonds were indicated by D and G bands and amorphous carbon peaks. Intensity of the carbon peaks relative to SiC peaks significantly decreased in the case of high temperature and/or high neutron dose of 500 °C to 29 displacements per atom (dpa) and about 800 °C to 1.38 and 29 dpa. The absence of carbon bond peaks under those conditions was explained by growth of stoichiometric defect clusters, consistent with previous atomistic simulations on SiC defect stability. The lack of Raman bands associated with carbon clusters under high-temperature and high-dose radiation conditions accounts for the resistance of SiC to phase separation under irradiation. The findings further suggest that material compositions and chemical properties that are inherently resistant to chemical disordering under high-dose radiation conditions are indicative of the long-term durability of ceramic compounds in radiation environments.

36 MATERIALS SCIENCE↗
NASA NTRS1986

The effect of diffusive hydrogen segregation on fracture of polycrystalline nickel

Hydrogen embrittlement of polycrystalline nickel was studied under conditions which allowed the diffusion and segregation of hydrogen to grain boundaries to be controlled. It was shown that even at high solute concentrations of hydrogen, the fracture mode was ductile shear rupture, if transport of hydrogen to the grain boundaries was not allowed. As the amount of hydrogen segregation to the grain boundaries was increased, the fracture mode became increasingly intergranular. Analysis of the temperature dependence of this transition from ductile rupture to transgranular fracture yields a hydrogen segregation enthalpy of 11.6 kJ/mol. The transition in the fracture mode was also observed at a constant aging temperature by increasing the solute hydrogen concentration. The kinetics of this fracture transition suggest that the hydrogen segregation layer extends about 35 nm from the grain boundary. It is suggested that the fracture mechanism is a softening of the material in this segregation region due to the high hydrogen concentration.

Lassila, D. H.↗
NASA NTRS2006

Silicon-Based Optical Modulator with Ferroelectric Layer

According to a proposal, a silicon dioxide layer in a high-speed, low-power, silicon- based electro-optical modulator would be replaced by a layer of lead zirconate titanate or other ferroelectric oxide material. The purpose of this modification is to enhance the power performance and functionality of the modulator. In its unmodified form, the particular silicon- based electro-optical modulator is of an advanced design that overcomes the speed limitation of prior silicon-based electro- optical modulators. Whereas modulation frequencies of such devices had been limited to about 20 MHz, this modulator can operate at modulation frequencies as high as 1 GHz. This modulator can be characterized as a silicon-waveguide-based metal oxide/semiconductor (MOS) capacitor phase shifter in which modulation of the index of refraction in silicon is obtained by exploiting the free-charge-carrier-plasma dispersion effect. As shown in the figure, the modulator includes an n-doped crystalline silicon slab (the silicon layer of a silicon- on-insulator wafer) and a p-doped polycrystalline silicon rib with a gate oxide layer (the aforementioned silicon dioxide layer) sandwiched between them. Under accumulation conditions, the majority charge carriers in the silicon waveguide modify the index of refraction so that a phase shift is induced in the optical mode propagating in the waveguide. The advantage of using an MOS capacitor phase shifter is that it is possible to achieve high modulation speed because there are no slow carrier-generation or -recombination processes involved in the accumulation operation. The main advantage of the proposed substitution of a ferroelectric oxide layer for the silicon dioxide layer would arise from the spontaneous polarization effect of the ferroelectric layer: This spontaneous polarization would maintain accumulation conditions in the absence of applied voltage. Consequently, once the device had been switched to a given optical state, it would remain in that state, even in the absence of applied voltage (in other words, even with power turned off). A secondary advantage is that because the ferroelectric layer would have an index of refraction larger than that of silicon dioxide, there could be some reduction of optical losses attributable to fabrication of the modulator

Sheldon, Douglas↗
DOE OSTI2025

Hydrogen charging and desorption from microstructural viewpoint: A method for deconvoluting hydrogen desorption spectra and unveiling the hydrogen-microstructure interaction

Understanding the interaction of hydrogen with microstructural features in metallic materials is crucial for designing hydrogen-resistant alloys. Although thermal desorption spectroscopy (TDS) is widely used for investigating the hydrogen binding behavior of various microstructural features, its application to face-centered cubic (fcc) metals and alloys that exhibit low hydrogen diffusivity is limited due to the lumped TDS desorption signals. This paper shows that, by coupling a Sofronis–McMeeking type hydrogen transport model with a microstructure-informed finite-element model, TDS data can be deconvoluted to reveal the underlying adsorption–diffusion–desorption processes, hydrogen diffusivity, and trap-binding energies. In conclusion, the austenitic steel SS316L in solution-annealed condition is used as a demonstration material, and we focused on investigating the interaction of deuterium (hydrogen isotope) with grain boundaries, which is difficult to investigate from experiments alone but critical for design of alloys for hydrogen infrastructure.

Finite element simulation, Polycrystalline Microst↗
NASA NTRS1995

Bend stress relaxation and tensile primary creep of a polycrystalline alpha-SiC fiber

Understanding the thermomechanical behavior (creep and stress relaxation) of ceramic fibers is of both practical and basic interest. On the practical level, ceramic fibers are the reinforcement for ceramic matrix composites which are being developed for use in high temperature applications. It is important to understand and model the total creep of fibers at low strain levels where creep is predominantly in the primary stage. In addition, there are many applications where the component will only be subjected to thermal strains. Therefore, the stress relaxation of composite consituents in such circumstances will be an important factor in composite design and performance. The objective of this paper is to compare and analyze bend stress relaxation and tensile creep data for alpha-SiC fibers produced by the Carborundum Co. (Niagara Falls, NY). This fiber is of current technical interest and is similar in composition to bulk alpha-SiC which has been studied under compressive creep conditions. The temperature, time, and stress dependences will be discussed for the stress relaxation and creep results. In addition, some creep and relaxation recovery experiments were performed in order to understand the complete viscoelastic behavior, i.e. both recoverable and nonrecoverable creep components of these materials. The data will be presented in order to model the deformation behavior and compare relaxation and/or creep behavior for relatively low deformation strain conditions of practical concern. Where applicable, the tensile creep results will be compared to bend stress relaxation data.

Hee Man, Yun↗
DOE OSTI2022

Exsolution-Driven Surface Transformation in the Host Oxide

Exsolution synthesizes self-assembled metal nanoparticle catalysts via phase precipitation. An overlooked aspect in this method thus far is how exsolution affects the host oxide surface chemistry and structure. Such information is critical as the oxide itself can also contribute to the overall catalytic activity. Here, combining X-ray and electron probes, we investigated the surface transformation of thin-film SrTi 0.65 Fe 0.35 O 3 during Fe 0 exsolution. We found that exsolution generates a highly Fe-deficient near-surface layer of about 2 nm thick. Moreover, the originally single-crystalline oxide near-surface region became partially polycrystalline after exsolution. Such drastic transformations at the surface of the oxide are important because the exsolution-induced nonstoichiometry and grain boundaries can alter the oxide ion transport and oxygen exchange kinetics and, hence, the catalytic activity toward water splitting or hydrogen oxidation reactions. These findings highlight the need to consider the exsolved oxide surface, in addition to the metal nanoparticles, in designing the exsolved nanocatalysts.

36 MATERIALS SCIENCE↗