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At least 307 records · Page 17

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NASA NTRS2002

Thermoelectric properties of n-type polycrystalline BixSb2-xTe3 alloys

(BixSbl-x)2Te3(.5 = x = .7) polycrystalline samples were synthesized using a combination of melting and powder metallurgy techniques. The samples were hot pressed in graphite dies and cut perpendicular and parallel to the pressing direction. Samples were examined by microprobe analysis to determine their atomic composition. The thermoelectric properties were measured at room temperature in both directions. These properties include Seebeck coefficient, thermal conductivity, electrical resistivity, and Hall effect. The thermoelectric figure-of-merit, ZT, was calculated fiom these properties.

thermoelectric power generation segmented↗

NASA NTRS2008

Surface Analysis of 4-Aminothiophenol Adsorption at Polycrystalline Platinum Electrodes

Formation of self-assembled monolayer (SAM) of 4-aminothiophenol (4-ATP) on polycrystalline platinum electrodes has been studied by surface analysis and electrochemistry techniques. The 4-ATP monolayer was characterized by cyclic voltammetry (CV), Raman spectroscopy, reflection absorption infrared (RAIR) spectroscopy, and X-ray photoelectron spectroscopy (XPS). Cyclic voltammetry (CV) experiments give an idea about the packing quality of the monolayer. RAIR and Raman spectra for 4-ATP modified platinum electrodes showed the characteristic adsorption bands for neat 4-ATP indicating the adsorption of 4-ATP molecules on platinum surface. The adsorption on platinum was also evidenced by the presence of sulfur and nitrogen peaks by XPS survey spectra of the modified platinum electrodes. High resolution XPS studies and RAIR spectrum for platinum electrodes modified with 4-ATP indicate that molecules are sulfur-bonded to the platinum surface. The formation of S-Pt bond suggests that ATP adsorption gives up an amino terminated SAM. Thickness of the monolayer was evaluated via angle-resolved XPS (AR-XPS) analyses. Derivatization of 4-ATP SAM was performed using 16-Br hexadecanoic acid.

Rosario-Castro, Belinda I.↗

NASA NTRS2007

GaAs Photovoltaics on Polycrystalline Ge Substrates

High efficiency III-V multijunction solar cells deposited on metal foil or even polymer substrates can provide tremendous advantages in mass and stowage, particularly for planetary missions. As a first step towards that goal, poly-crystalline p/i/n GaAs solar cells are under development on polycrystalline Ge substrates. Organo Metallic Vapor Phase Epitaxy (OMVPE) parameters for pre-growth bake, nucleation and deposition have been examined. Single junction p/i/n GaAs photovoltaic devices, incorporating InGaP front and back window layers, have been grown and processed. Device performance has shown a dependence upon the thickness of a GaAs buffer layer deposited between the Ge substrate and the active device structure. A thick (2 m) GaAs buffer provides for both increased average device performance as well as reduced sensitivity to variations in grain size and orientation. Illumination under IR light (lambda > 1 micron), the cells showed a Voc, demonstrating the presence of an unintended photoactive junction at the GaAs/Ge interface. The presence of this junction limited the efficiency to approx.13% (estimated with an anti-refection coating) due to the current mismatch and lack of tunnel junction interconnect.

Wilt, David M.↗

NASA NTRS2011

Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi: Simulations vs. Experiment

A recent microstructure-based FEM model that couples crystal-based plasticity, the B2<-> MB190 phase transformation and anisotropic elasticity at the grain scale is calibrated to recent data for polycrystalline NiTi (49.9 at.% Ni). Inputs include anisotropic elastic properties, texture and differential scanning calorimetry data, as well as a subset of recent isothermal deformation and load-biased thermal cycling data. The model is assessed against additional experimental data. Several experimental trends are captured - in particular, the transformation strain during thermal cycling monotonically increases and reaches a peak with increasing bias stress. This is achieved, in part, by modifying the martensite hardening matrix proposed by Patoor et al. [Patoor E, Eberhardt A, Berveiller M. J Phys IV 1996;6:277]. Some experimental trends are underestimated - in particular, the ratcheting of macrostrain during thermal cycling. This may reflect a model limitation that transformation-plasticity coupling is captured on a coarse (grain) scale but not on a fine (martensitic plate) scale.

Manchiraju, Sivom↗

NASA NTRS2012

Deformation and Phase Transformation Processes in Polycrystalline NiTi and NiTiHf High Temperature Shape Memory Alloys

The deformation and transformation mechanisms of polycrystalline Ni49.9Ti50.1 and Ni50.3Ti29.7Hf20 (in at.%) shape memory alloys were investigated by combined experimental and modeling efforts aided by an in situ neutron diffraction technique at stress and temperature. The thermomechanical response of the low temperature martensite, the high temperature austenite phases, and changes between these two states during thermomechanical cycling were probed and reported. In the cubic austenite phase, stress-induced martensite, deformation twinning and slip processes were observed which helped in constructing a deformation map that contained the limits over which each of the identified mechanisms was dominant. Deformation of the monoclinic martensitic phase was also investigated where the microstructural changes (texture, lattice strains, and phase fractions) during room-temperature deformation and subsequent thermal cycling were compared to the bulk macroscopic response. When cycling between these two phases, the evolution of inelastic strains, along with the shape setting procedures were examined and used for the optimization of the transformation properties as a function of deformation levels and temperatures. Finally, this work was extended to the development of multiaxial capabilities at elevated temperatures for the in situ neutron diffraction measurements of shape memory alloys on the VULCAN Diffractometer at Oak Ridge National Laboratory.

Benafan, Othmane↗

NASA NTRS2013

Macroscopic and Microstructural Aspects of the Transformation Behavior in a Polycrystalline NiTi Shape Memory Alloy

The mechanical and microstructural behavior of a polycrystalline Ni(49.9)Ti(50.1) (at.%) shape memory alloy was investigated as a function of temperature around the transformation regime. The bulk macroscopic responses, measured using ex situ tensile deformation and impulse excitation tests, were compared to the microstructural evolution captured using in situ neutron diffraction. The onset stress for inelastic deformation and dynamic Young's modulus were found to decrease with temperature, in the martensite regime, reaching a significant minimum at approximately 80 C followed by an increase in both properties, attributed to the martensite to austenite transformation. The initial decrease in material compliance during heating affected the ease with which martensite reorientation and detwinning could occur, ultimately impacting the stress for inelastic deformation prior to the start of the reverse transformation.

Benafan, Othmane↗

NASA NTRS2014

Dielectric Performance of a High Purity HTCC Alumina at High Temperatures - a Comparison Study with Other Polycrystalline Alumina

A very high purity (99.99+%) high temperature co-fired ceramic (HTCC) alumina has recently become commercially available. The raw material of this HTCC alumina is very different from conventional HTCC alumina, and more importantly there is no glass additive in this alumina material for co-firing processing. Previously, selected HTCC and LTCC (low temperature co-fired ceramic) alumina materials were evaluated at high temperatures as dielectric and compared to a regularly sintered 96% polycrystalline alumina (96% Al2O3), where 96% alumina was used as the benchmark. A prototype packaging system based on regular 96% alumina with Au thickfilm metallization successfully facilitated long term testing of high temperature silicon carbide (SiC) electronic devices for over 10,000 hours at 500 C. In order to evaluate this new high purity HTCC alumina for possible high temperature packaging applications, the dielectric properties of this HTCC alumina substrate were measured and compared with those of 96% alumina and a previously tested LTCC alumina from room temperature to 550 C at frequencies of 120 Hz, 1 KHz, 10 KHz, 100 KHz, and 1 MHz. A parallel-plate capacitive device with dielectric of the HTCC alumina and precious metal electrodes were used for measurements of the dielectric constant and dielectric loss of the co-fired alumina material in the temperature and frequency ranges. The capacitance and AC parallel conductance of the capacitive device were directly measured by an AC impedance meter, and the dielectric constant and parallel AC conductivity of the dielectric were calculated from the capacitance and conductance measurement results. The temperature and frequency dependent dielectric constant, AC conductivity, and dissipation factor of the HTCC alumina substrate are presented and compared to those of 96% alumina and a selected LTCC alumina. Other technical advantages of this new co-fired material for possible high packaging applications are also discussed.

Electronic packaging↗

NASA NTRS2012

Dielectric Performance of High Purity HTCC Alumina at High Temperatures - A Comparison Study with Other Polycrystalline Alumina

A very high purity (99.99+) high temperature co-fired ceramic (HTCC) alumina has recently become commercially available. The raw material of this HTCC alumina is very different from conventional HTCC alumina, and more importantly there is no glass additive in this co-fired material. Previously, selected HTCC and LTCC (low temperature co-fired ceramic) alumina materials were evaluated at high temperatures as dielectric and compared to a regularly sintered 96 polycrystalline alumina (96 Al2O3), where 96 alumina was used as the benchmark. A prototype packaging system based on regular 96 alumina with Au thick-film metallization successfully facilitated long term testing of high temperature silicon carbide (SiC) electronic devices for over 10,000 hours at 500C. In order to evaluate this new HTCC alumina for possible high temperature packaging applications, the dielectric properties of this HTCC alumina substrate were measured and compared with those of 96 alumina and a LTCC alumina from room temperature to 550C at frequencies of 120 Hz, 1 KHz, 10 KHz, 100 KHz, and 1 MHz. A parallel-plate capacitive device with dielectric of the HTCC alumina and precious metal electrodes were used for measurements of the dielectric constant and dielectric loss of the co-fired alumina material in the temperature and frequency ranges. The capacitance and AC parallel conductance of the capacitive device were directly measured by an AC impedance meter, and the dielectric constant and parallel AC conductivity of the dielectric were calculated from the capacitance and conductance measurement results. The temperature and frequency dependent dielectric constant, AC conductivity, and dissipation factor of the HTCC alumina substrate are presented and compared to those of 96 alumina. Other technical advantages of this new co-fired material for possible high packaging applications are also discussed.

High temperature↗

NASA NTRS2013

Effect of Temperature on the Deformation Behavior of B2 Austenite in a Polycrystalline Ni49.9Ti50.1 (at.Percent) Shape Memory Alloy

Superelasticity in austenitic B2-NiTi is of great technical interest and has been studied in the past by several researchers [1]. However, investigation of temperature dependent deformation in B2-NiTi is equally important since competing mechanisms of stress-induced martensite (SIM), retained martensite, plastic and deformation twinning can lead to unusual mechanical behaviors. Identification of the role of various mechanisms contributing to the overall deformation response of B2-NiTi is imperative to understanding and maturing SMA-enabled technologies. Thus, the objective of this work was to study the deformation of polycrystalline Ni49.9Ti50.1 (at. %) above A(sub f) (105 C) in the B2 state at temperatures between 165-440 C, and generate a B2 deformation map showing active deformation mechanisms in different temperature-stress regimes.

Garg, A.↗

NASA NTRS2011

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

Polycrystalline superconducting Nb thin films are extensively used for submillimeter and millimeter transmission line applications and, less commonly, used in microwave kinetic inductance detector (MKID) applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the x-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

superconducting films↗

NASA NTRS2016

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

Polycrystalline Nb thin films are extensively used for microwave kinetic inductance detectors (MKIDs) and superconducting transmission line applications. The microwave and mm-wave loss in these films is impacted, in part, by the presence of surface nitrides and oxides. In this study, glancing incidence x-ray diffraction was used to identify the presence of niobium nitride and niobium monoxide surface layers on Nb thin films which had been exposed to chemicals used in standard photolithographic processing. A method of mitigating the presence of ordered niobium monoxide surface layers is presented. Furthermore, we discuss the possibility of using glancing incidence x-ray diffraction as a non-destructive diagnostic tool for evaluating the quality of Nb thin films used in MKIDs and transmission lines. For a given fabrication process, we have both the X-ray diffraction data of the surface chemistry and a measure of the mm-wave and microwave loss, the latter being made in superconducting resonators.

superconducting films↗

NASA NTRS2016

The Impact of Standard Semiconductor Fabrication Processes on Polycrystalline Nb Thin Film Surfaces

superconducting films↗

NASA NTRSDate not supplied

Three-dimensional in Situ Observations of Polycrystalline Microstructure Evolution During Directional Solidification of Transparent Alloys Aboard the ISS and Quantitative Comparison with Numerical Modeling

Cellular/dendritic microstructures formed during solidification have a crucial influence on the mechanical properties of a wide range of structural alloys. By minimizing the amount of gravity-induced convection in the liquid, directional solidification experiments using transparent organic alloys conducted in the DECLIC-DSI onboard the International Space Station have provided unique 3D in situ observations of the spatiotemporal evolution of the solid-liquid interface during the formation of cellular and dendritic microstructures under purely diffusive growth conditions in polycrystalline samples containing several grains with a small misorientation with respect to the temperature gradient. Those observations have made it possible to perform benchmark quantitative comparisons with the predictions of state-of-the-art phase-field simulations of microstructure formation in 3D on experimentally relevant length and time scales. This talk will report quantitative comparisons between microgravity experiments and phase-field simulations in succinonitrile-camphor alloys of two different compositions that shed new light on the role of subgrain boundaries in the spatiotemporal evolution of the primary cellular spacing and the selection of dendritic array structures.

Kaihua Ji↗

NASA NTRSDate not supplied

Geometric Requirements for Modeling Polycrystalline Representative Volume Elements Using the Generalized Method of Cells

To accurately predict the mechanical response of advanced metallic parts, the grain structure of the metal must be considered and coupled to the macroscale in a multiscale model. The size of the microscale representative volume element must be sufficiently large, and the grid used to discretize the microscale must be adequately refined, in order to ensure an accurate and converged solution. The generalized method of cells is used to predict the mechanical properties of polycrystalline representative volume elements of copper containing randomly oriented grains with the properties of a single face-centered-cubic crystal. Moreover, the results of a parametric study are used to conclude the geometric requirements for an objective microscale model, with respect to the elastic stiffness.

Multiscale Modeling↗

DOE OSTI2020

Arsenic Doping of Polycrystalline CdSeTe Devices for Microsecond Life-times with High Carrier Concentrations

We report seminal advances in fabrication and understanding of group V (As) doped thin-film polycrystalline CdTe-based solar cells. The devices are fabricated using a novel approach, by sublimating layers of CdSeTe and CdSeTe:As. This new method allowed us to achieve minority carrier lifetime of over 1 μs, carrier concentration of more than 5x1015 cc-1 and external radiative efficiency of over 2% in a device configuration. We find an increase in open-circuit voltage when comparing As-doped, Cu-doped and undoped devices. The choice of CdSeTe instead of a CdTe-only absorber has been explained using first-principle density functional theory model. A SCAPS device model is used to analyze the potential causes for lower open-circuit voltage.

14 SOLAR ENERGY↗

DOE OSTI2024

Qubit devices comprising one or more polycrystalline or single crystalline spin-triplet superconductors

A qubit device may include a closed loop comprising one or more polycrystalline spin-triplet superconductors. The closed loop may maintain a half-quantum magnetic flux in a ground state. A qubit device may include a closed loop comprising one or more single crystalline spin-triplet superconductors connected by one or more s-wave superconductors. The closed loop may maintain a half-quantum magnetic flux in a ground state.

Li, Yufan↗

DOE OSTI2025

A comparative analysis of YOLOv8 and U-Net image segmentation approaches for transmission electron micrographs of polycrystalline thin films

Metallic thin films offer a platform to experimentally study the dynamics of microstructural evolution, but the required transmission electron microscopy (TEM)-based imaging generates complex images that are challenging to segment and quantify. This work provides a comparative analysis of a new YOLOv8 model and an established U-Net model for bright-field TEM images of polycrystals, employing a framework leveraging physical observables to evaluate performance against two hand-traced benchmark datasets. This methodology obviates the comparison of large, diversely structured, and manually labeled datasets that are required to assess performance on a per-image/per-pixel basis. It is found that the YOLOv8 model, adapted for real-time instance segmentation, has up to 43× faster inferencing (NVIDIA GeForce RTX 4090) compared to U-Net and reconstructs hand-traced grain size distributions (GSDs) with excellent fidelity, finding mean diameter within 3% for grains near an optimal magnification; for grains that deviate from the optimal pixel-diameter, the size of small- (large)-diameter grains is systematically over- (under)-estimated. This is partially mitigated by including scale-aware augmentations during training. Moreover, when the bias is corrected post-inference by a rigid shift in distribution, the YOLOv8 model reproduces ground truth GSDs with exceptional fidelity, with statistical tests indicating <5% probability that the distributions are distinct. Based on ground truth data, calibration curves pertaining to this shift can be constructed for a given model. This issue is not present in the U-Net model’s results, indicating that for quantitative measurements where the true size of objects is of interest, special procedures must be implemented for YOLO-based models.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Exceeding 200 ns Lifetimes in Polycrystalline CdTe Solar Cells

CdTe photovoltaics has achieved one of the lowest levelized costs of electricity among all energy sources. However, for decades, carrier lifetimes have been inferior to those of other prevalent solar cell materials. This quality has inhibited common methods to improve solar cell efficiency such as back-surface fields, electron reflectors, or bifacial solar cells. In this work, a significant increase in carrier lifetime to values exceeding 200 ns in fully functional CdTe solar cells is demonstrated. The increased lifetime is achieved by large CdSeTe grains at the absorber/emitter interface, intragrain passivation in the absorber layer, and chemical passivation by forming nanoscale oxidized tellurium species at the transparent conducting oxide interface. The carrier lifetime is correlated to the open-circuit voltage and enables paths for back-surface manipulation and novel cell architectures to further improve CdTe photovoltaic performance.

14 SOLAR ENERGY↗