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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.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Role of crystallographic orientation on intragranular void growth in polycrystalline FCC materials

In this study, we study the effect of crystallographic orientation and applied triaxiality on the growth of intragranular voids. Two 3D full-field micromechanics methods are used, the dilatational visco-plastic fast-Fourier transform (DVP-FFT) and the crystal plasticity Finite Elements (CP-FE), both of which incorporate a combination of crystalline plasticity and dilatational plasticity. We demonstrate with several select cases that predictions of void growth from both formulations agree qualitatively. With the more computationally efficient DVP-FFT, additional effects of polycrystalline microstructure and the influence of nearest neighborhood are investigated. Crystals bearing a single intracrystalline void are studied in three types of 3D microstructural environments: isolated single crystals, individual equal-sized grains within a regular polycrystal, and individual variable sized grains within a polycrystal with grains and voids randomly located. We show that loading type plays a significant role. In strain-rate controlled conditions, voids in the hardest [111]-crystals grow the fastest in time, whereas in stress-controlled conditions, voids in the softest [100]-crystal grow the fastest in time. The analysis reveals that on average void growth is slower for the same starting orientation in the polycrystal than in the single crystal. We find that at the highest triaxiality tested that the correlation between crystal orientation and void growth rate in the polycrystal strengthens, drawing closer to that seen in the isolated single crystals. These results and model can help guide the microstructural design of polycrystalline materials with high strength and damage-tolerance in high-rate deformation.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Handbook of the optical, thermal and mechanical properties of six polycrystalline dielectric materials

The design data for six polycrystalline dielectric materials are presented to describe the optical, thermal, and mechanical properties. The materials are aluminum oxide, calcium fluoride, magnesium fluoride, magnesium oxide, silicon dioxide, and titanium dioxide. The primary interest is in the polycrystalline state, although single crystal data are included when appropriate. The temperature range is room temperature to melting point. The wavelength range is from near ultraviolet to near infrared.

Dewitt, D. P.↗
DOE OSTI2022

Multi-modal Dataset of a Polycrystalline Metallic Material: 3D Microstructure and Deformation Fields

The development of high-fidelity mechanical property prediction models for the design of polycrystalline materials relies on large volumes of microstructural feature data. Concurrently, at these same scales, the deformation fields that develop during mechanical loading can be highly heterogeneous. Spatially correlated measurements of 3D microstructure and the ensuing deformation fields at the micro-scale would provide highly valuable insight into the relationship between microstructure and macroscopic mechanical response. They would also provide direct validation for numerical simulations that can guide and speed up the design of new materials and microstructures. However, to date, such data have been rare. Here, a one-of-a-kind, multi-modal dataset is presented that combines recent state-of-the-art experimental developments in 3D tomography and high-resolution deformation field measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Collaborative R&D with First Solar on Understanding Performance Limitations in CdTe (Project 1 "CdTe" - Mods 0-10, 13, 14-A1, 17)

This CRADA involves analyses on a variety of CdTe and CdTe-PV related materials, test structures, and solar cells produced at FSLR or NREL. Single-crystal (sx) material will be primarily MBE grown and provided by FSLR. Joint activities are focused on establishing the appropriate quality metrics as a basis for high performing sx devices and to study the dopability of the material. Polycrystalline (px) materials will be provided by NREL, FSLR, or fabricated jointly. Px activities are focused on the characterization of performance limiting mechanisms including bulk defects, grain boundaries, and the hetero-interface. A combination of growth, characterization, and theory will be applied. Analysis will include techniques that are well established in CdTe research at NREL (e.g., LIV/DIV/CV, AS/DLTS, LTPL, TRPL) as well as techniques that have not been widely applied to the PV part of CdTe technology (e.g., PCD, CL, uPL, SE).

14 SOLAR ENERGY↗
NASA NTRS1982

Process Research On Polycrystalline Silicon Material (PROPSM)

Performance limiting mechanisms in polycrystalline silicon are investigated by fabricating a matrix of solar cells of various thicknesses from polycrystalline silicon wafers of several bulk resistivities. The analysis of the results for the entire matrix indicates that bulk recombination is the dominant factor limiting the short circuit current in large grain (greater than 1 to 2 mm diameter) polycrystalline silicon, the same mechanism that limits the short circuit current in single crystal silicon. An experiment to investigate the limiting mechanisms of open circuit voltage and fill factor for large grain polycrystalline silicon is designed. Two process sequences to fabricate small cells are investigated.

Culik, J. S.↗
NASA NTRS1984

Process Research on Polycrystalline Silicon Material (PROPSM)

Results of hydrogen-passivated polycrystalline silicon solar cells are summarized. Very small grain or short minority-carrier diffusion length silicon was used. Hydrogenated solar cells fabricated from this material appear to have effective minority-carrier diffusion lengths that are still not very long, as shown by the open-circuit voltages of passivated cells that are still significantly less than those of single-crystal solar cells. The short-circuit current of solar cells fabricated from large-grain cast polycrystalline silicon is nearly equivalent to that of single-crystal cells, which indicates long bulk minority-carrier diffusion length. However, the open-circuit voltage, which is sensitive to grain boundary recombination, is sometimes 20 to 40 mV less. The goal was to minimize variations in open-circuit voltage and fill-factor caused by defects by passivating these defects using a hydrogenation process. Treatments with molecular hydrogen showed no effect on large-grain cast polycrystaline silicon solar cells.

Culik, J. S.↗
NASA NTRS1982

Process Research On Polycrystalline Silicon Material (PROPSM)

The mechanisms limiting performance in polycrystalline silicon was determined. The initial set of experiments in this task entails the fabrication of cells of various thicknesses for four different bulk resistivities between 0.1 and 10 omega-cm. The results for the first two lots are presented.

Wohlgemuth, J. H.↗
DOE OSTI2023

Predicting microstructurally sensitive fatigue‐crack path in WE43 magnesium using high‐fidelity numerical modeling and three‐dimensional experimental characterization

Abstract Microstructurally small fatigue‐crack growth in polycrystalline materials is highly three‐dimensional due to sensitivity to local microstructural features (e.g., grains). One requirement for modeling microstructurally sensitive crack propagation is establishing the criteria that govern crack evolution, including crack deflection. Here, a high‐fidelity finite‐element modeling framework is used to assess the performance and validity of various crack‐growth criteria, including slip‐based metrics (e.g., fatigue‐indicator parameters), as potential criteria for predicting three‐dimensional crack paths in polycrystalline materials. The modeling framework represents cracks as geometrically explicit discontinuities and involves voxel‐based remeshing, mesh‐gradation control, and a crystal‐plasticity constitutive model. The predictions are compared to experimental measurements of WE43 magnesium samples subject to fatigue loading, for which three‐dimensional grain structures and fatigue‐crack surfaces were measured post‐mortem using near‐field high‐energy x‐ray diffraction microscopy and x‐ray computed tomography. Findings from this work are expected to improve the predictive capabilities of simulations involving microstructurally small fatigue‐crack growth in polycrystalline materials.

Engineering↗
DOE OSTI2026

Luminescence properties of europium doped and sodium co-doped LiCaAlF 6

This paper serves as a literature review of scintillating thermal neutron detectors, along with a study of sodium and europium doped LiCaAlF 6 (LiCAF) polycrystalline material. A set of polycrystalline LiCAF material was synthesized with 2 molar percent of europium (Eu 2+ ) and co-doped with 0, 1, and 2 molar percent of sodium (Na + ), with a stoichiometric synthesis approach in a glassy-carbon crucible. The quantum yield and photoluminescence spectrum at room temperature was analyzed. For the first time, we have demonstrated that Na-co-doping directly alters the quantum yield. The quantum yield for LiCAF:Eu 2+ , with 0, 1, and 2 molar percent of sodium (Na + ) was 0.578, 0.635, and 0.580, respectively. The photoluminescence (PL) spectrum was also analyzed for all samples. The photo-luminescence excitation (PLE) spectrum showed a maximum at 300 nm, while the emission spectrum showed a maximum at 370 nm, corresponding to the Eu 2+ 5d-4f transitions.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Process Research of Polycrystalline Silicon Material (PROPSM)

A passivation process (hydrogenation) that will improve the power generation of solar cells fabricated from presently produced, large grain, cast polycrystalline silicon (Semix), a potentially low cost material are developed. The first objective is to verify the operation of a DC plasma hydrogenation system and to investigate the effect of hydrogen on the electrical performance of a variety of polycrystalline silicon solar cells. The second objective is to parameterize and optimize a hydrogenation process for cast polycrystalline silicon, and will include a process sensitivity analysis. The sample preparation for the first phase is outlined. The hydrogenation system is described, and some early results that were obtained using the hydrogenation system without a plasma are summarized. Light beam induced current (LBIC) measurements of minicell samples, and their correlation to dark current voltage characteristics, are discussed.

Culik, J. S.↗
NASA NTRS1984

Process Research of Polycrystalline Silicon Material (PROPSM)

An investigation was begun into the usefulness of molecular hydrogen annealing on polycrystalline solar cells. No improvement was realized even after twenty hours of hydrogenation. Thus, samples were chosen on the basis of: (1) low open circuit voltage; (2) low shunt conductance; and (3) high light generated current. These cells were hydrogenated in molecular hydrogen at 300 C. The differences between the before and after hydrogenation values are so slight as to be negligible. These cells have light generated current densities that indicate long minority carrier diffusion lengths. The open circuit voltage appears to be degraded, and quasi-neutral recombination current enhanced. Therefore, molecular hydrogen is not usful for passivating electrically active defects.

Culik, J. S.↗
NASA NTRS1983

Process Research on Polycrystalline Silicon Material (PROPSM)

The performance limiting mechanisms in large grain (greater than 1-2 mm in diameter) polycrystalline silicon was investigated by measuring the illuminated current voltage (I-V) characteristics of the minicell wafer set. The average short circuit current on different wafers is 3 to 14 percent lower than that of single crystal Czochralski silicon. The scatter was typically less than 3 percent. The average open circuit voltage is 20 to 60 mV less than that of single crystal silicon. The scatter in the open circuit voltage of most of the polycrystalline silicon wafers was 15 to 20 mV, although two wafers had significantly greater scatter than this value. The fill factor of both polycrystalline and single crystal silicon cells was typically in the range of 60 to 70 percent; however several polycrystalline silicon wafers have fill factor averages which are somewhat lower and have a significantly larger degree of scatter.

Culik, J. S.↗
NASA NTRS1982

Process Research on Polycrystalline Silicon Material (PROPSM)

The investigation of the performance limiting mechanisms in large grain (greater than 1-2 mm in diameter) polycrystalline silicon was continued by fabricating a set of minicell wafers on a selection of 10 cm x 10 cm wafers. A minicell wafer consists of an array of small (approximately 0.2 sq cm in area) photodiodes which are isolated from one another by a mesa structure. The junction capacitance of each minicell was used to obtain the dopant concentration, and therefore the resistivity, as a function of position across each wafer. The results indicate that there is no significant variation in resistivity with position for any of the polycrystalline wafers, whether Semix or Wacker. However, the resistivity of Semix brick 71-01E did decrease slightly from bottom to top.

Culik, J. S.↗
NASA NTRS1983

Process Research On Polycrystalline Silicon Material (PROPSM)

The performance-limiting mechanisms in large-grain (greater than 1 to 2 mm in diameter) polycrystalline silicon solar cells were investigated by fabricating a matrix of 4 sq cm solar cells of various thickness from 10 cm x 10 cm polycrystalline silicon wafers of several bulk resistivities. Analysis of the illuminated I-V characteristics of these cells suggests that bulk recombination is the dominant factor limiting the short-circuit current. The average open-circuit voltage of the polycrystalline solar cells is 30 to 70 mV lower than that of co-processed single-crystal cells; the fill-factor is comparable. Both open-circuit voltage and fill-factor of the polycrystalline cells have substantial scatter that is not related to either thickness or resistivity. This implies that these characteristics are sensitive to an additional mechanism that is probably spatial in nature. A damage-gettering heat-treatment improved the minority-carrier diffusion length in low lifetime polycrystalline silicon, however, extended high temperature heat-treatment degraded the lifetime.

Culik, J. S.↗
NASA NTRS1984

Polycrystalline silicon material availability and market pricing outlook for 1980 through 1988

The results of the second JPL update to an original report to assess the availability and prices of polycrystalline Si for solar cells in the 1983-88 interval are reported. It is noted that the demand for poly-Si for solar cells competes with the demand for the same material for semiconductors, although the solar cell industry can use material rejected from the semiconductor industry. A sufficient supply is projected for the 6 yr period, rising from 3224 metric tons to 10,220 metric tons in 1988, with prices dropping from the 1980 level of $140/kg to $25/kg. The price reduction and improved production are noted to be due in large part to DOE efforts at defining lower-cost production processes.

Costogue, E. N.↗
NASA NTRS1985

Process Research on Polycrystalline Silicon Material (PROPSM)

Results of hydrogen-passivated polycrysalline silicon solar cell research are summarized. The short-circuit current of solar cells fabricated from large-grain cast polycrystalline silicon is nearly equivalent to that of single-crystal cells, which indicates long bulk minority-carrier diffusion length. Treatments with molecular hydrogen showed no effect on large-grain cast polycrystalline silicon solar cells.

Culik, J. S.↗
DOE OSTI2023

Understanding and control of Zener pinning via phase field and ensemble learning

Zener pinning refers to the dispersion of fine particles which influences grain size distribution via movement of grain boundaries in a polycrystalline material. Grain size distribution in polycrystals has a significant impact on their properties including physical, chemical, mechanical, and optical to name a few. We explore the use of Phase-field modeling and machine-learning techniques to understand and improve the control of grain size distribution via Zener pinning in polycrystalline materials. We develop a machine learning model that determines the relative importance of various parameters to exercise microstructure control via Zener pinning. Our workflow combines high-throughput phase-field simulations and machine learning to address the computational bottlenecks associated with large-scale simulations as well as identify features necessary for microstructure control in polycrystals. A random forest (RF) regression model was developed to predict grain sizes based on five Phase-field model parameters, achieving an average prediction error of 0.72 nm for the training data and 1.44 nm for the test data. The importance of the input parameters is analyzed using the SHapley Additive exPlanations (SHAP) approach which reveals that diffusivity, volume fraction, and particle diameter are the most important parameters in determining the final grain size. These findings will allow us to select the best second-phase particles, optimize grain size distributions and thus design microstructures with the desired properties. The developed method is a highly versatile and generalizable approach that can be used to assess the combined effects of individual features in the presence of multiple variables.

36 MATERIALS SCIENCE↗