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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Texturing of high T(sub c) superconducting polycrystalline fibers/wires by laser-driven directional solidification in an thermal gradient

This paper summarizes the technique of laser-driven directional solidification in a controlled thermal gradient of yttria stabilized zirconia core coated Y-Ba-Cu-O materials to produce textured high T(sub c) superconducting polycrystalline fibers/wires with improved critical current densities in the extended range of magnetic fields at temperatures greater than 77 K. The approach involves laser heating to minimize phase segregation by heating very rapidly through the two-phase incongruent melt region to the single phase melt region and directionally solidifying in a controlled thermal gradient to achieve highly textured grains in the fiber axis direction. The technique offers a higher grain growth rate and a lower thermal budget compared with a conventional thermal gradient and is amenable as a continuous process for improving the J(sub c) of high T(sub c) superconducting polycrystalline fibers/wires. The technique has the advantage of suppressing weak-link behavior by orientation of crystals, formation of dense structures with enhanced connectivity, formation of fewer and cleaner grain boundaries, and minimization of phase segregation in the incongruent melt region.

Varshney, Usha↗
NASA NTRS1996

Observations of Dynamic Strain Aging in Polycrystalline NiAl

Dynamic strain aging has been investigated at temperatures between 77 and 1100 K in eight polycrystalline NiAl alloys. The 0.2% offset yield stress and work hardening rates for these alloys generally decreased with increasing temperature. However, local plateaus or maxima were observed in conventional purity and carbon doped alloys at intermediate temperatures (600-900 K). This anomalous behavior was not observed in low interstitial high-purity, nitrogen doped, or in titanium doped materials. Low or negative strain rate sensitivities (SRS) were also observed in all eight alloys in this intermediate temperature range. Coincident with the occurrence of negative SRS was the occurrence of serrated flow in conventional purity alloys containing high concentrations of Si in addition to C. These phenomena have been attributed to dynamic strain aging (DSA). Chemical analysis of the alloys used in this study suggests that the main species causing strain aging in polycrystalline NiAl is C but indicate that residual Si impurities can enhance the strain aging effect.

Weaver, M. L.↗
NASA NTRS1998

Annealing Effects on Creep and Rupture of Polycrystalline Alumina-Based Fibers

Continuous-length polycrystalline aluminum-oxide-based fibers are being considered as reinforcements for advanced high-temperature composite materials. For these fine-grained fibers, basic issues arise concerning grain growth and microstructural instability during composite fabrication and the resulting effects on the fiber's thermo-mechanical properties. To examine these issues, commercially available Nextel 610 (alumina) and Altex (alumina-silica) fibers were annealed at 1100 and 1300 C for up to 100 hr in air. Changes in fiber microstructure, fiber tensile creep, stress rupture, and bend stress relaxation (BSR) that occurred with annealing were then determined. BSR tests were also used to compare as-received and annealed fibers to other polycrystalline oxide fibers. Annealing was shown to have a significant effect, particularly on the Altex fiber, and caused it to have increased creep resistance.

Goldsby, J. C.↗
NASA NTRS1999

Stable powders made from photosensitive polycrystalline complexes of heterocyclic monomers and their polymers

The present invention relates to a low electronic conductivity polymer composition having well dispersed metal granules, a stable powder made from photosensitive polycrystalline complexes of pyrrole, or its substituted derivatives and silver cations for making the polymer composition, and methods of forming the stable powder and polymer composition, respectively. A polycrystalline complex of silver and a monomer, such as pyrrole, its substituted derivatives or combinations thereof, is precipitated in the form of a stable photosensitive powder upon addition of the monomer to a solvent solution, such as toluene containing an electron acceptor. The photosensitive powder can be stored in the dark until needed. The powder may be dissolved in a solvent, cast onto a substrate and photopolymerized.

Hodko, Dalibor↗
NASA NTRS2011

Simulating Thermal Cycling and Isothermal Deformation Response of Polycrystalline NiTi

A microstructure-based FEM model that couples crystal plasticity, crystallographic descriptions of the B2-B19' martensitic phase transformation, and anisotropic elasticity is used to simulate thermal cycling and isothermal deformation in polycrystalline NiTi (49.9at% Ni). The model inputs include anisotropic elastic properties, polycrystalline texture, DSC data, and a subset of isothermal deformation and load-biased thermal cycling data. A key experimental trend is captured.namely, the transformation strain during thermal cycling is predicted to reach a peak with increasing bias stress, due to the onset of plasticity at larger bias stress. Plasticity induces internal stress that affects both thermal cycling and isothermal deformation responses. Affected thermal cycling features include hysteretic width, two-way shape memory effect, and evolution of texture with increasing bias stress. Affected isothermal deformation features include increased hardening during loading and retained martensite after unloading. These trends are not captured by microstructural models that lack plasticity, nor are they all captured in a robust manner by phenomenological approaches. Despite this advance in microstructural modeling, quantitative differences exist, such as underprediction of open loop strain during thermal cycling.

Manchiraju, Sivom↗
DOE OSTI2020

Machine learning technique to identify grains in polycrystalline materials samples

A method of identifying grains in polycrystalline materials, the method including (a) identifying local crystal structure of the polycrystalline material based on neighbor coordination or pattern recognition machine learning, the local crystal structure including grains and grain boundaries, (b) pre-processing the grains and the grain boundaries using image processing techniques, (c) conducting grain identification using unsupervised machine learning; and (d) refining a resolution of the grain boundaries.

Sankaranarayanan, Subramanian↗
DOE OSTI2023

Passively pumped, polycrystalline ceramic high and ultra-high vacuum chambers

A sealed, passively pumped, polycrystalline ceramic vacuum chamber and method for fabricating the chamber are disclosed. The body of the vacuum chamber is made from a polycrystalline ceramic, for example, alumina. The vacuum chamber includes one or more windows made from a transparent ceramic, for example, sapphire, to accommodate optical access, while remaining amorphous-glass free to minimize or eliminate helium permeation. The vacuum chamber components are joined via laser welding or furnace brazing and the completed chamber is bakeable at temperatures up to 400° C. The vacuum chamber can operate at high or ultra-high vacuum pressures for an extended period through the use of one or more getter-based pumps. The vacuum chamber may include one or more atomic sources depending upon the application.

Walker, Charles A.↗
DOE OSTI2026

Focused ion beam milling of polycrystalline diamond

Focused ion beam (FIB) technology has a large potential for precise milling of ultrahard materials such as diamond. However, studies of the sputtering of diamond with ion species and energies relevant to the FIB technology are scarce. Here, we report a systematic study of the sputtering of polycrystalline diamond surfaces with ion beams in a wide range of ion energies (2 - 30 keV), incident beam angles (0 - 80°), and ion masses (N, O, Ar, and Xe). Results show that the sputter yield is relatively insensitive to ion energy but strongly depends on the ion species and incident beam angles. Bombardment with O ions results in sputter yields that are significantly larger than ballistic predictions due to chemical etching effects. Characteristic surface ripples develop for oblique beam incidence angle irradiation. The critical beam tilt angle for the onset of ripple formation and the wavelength of the ripples depend on ion species and energies. Ripples appear to suppress ion reflection at high beam tilt angles and, hence, a peak in the sputter yield angular dependence. In conclusion, these results have direct implications for the development of process parameter maps for high-precision ion-beam milling of diamond.

36 MATERIALS SCIENCE↗
DOE OSTI2021

On the correlation between plastic strain and misorientation in polycrystalline body-centered-cubic microstructures with an emphasis on the grain size, loading history, and crystallographic orientation

In this work, the correlation between plastic strain and crystallographic misorientation, grain size, grain orientation, distance from grain boundary, and loading history were investigated experimentally and numerically for body-centered-cubic (BCC) polycrystalline microstructures based on a misorientation deviation (MD) approach. Nine monotonic tensile experiments were performed on two BCC titanium alloys inside a scanning electron microscope (SEM). The influence of reference orientation was explored both at the grain scale and at the mesoscale using electron backscattered diffraction (EBSD). The correlation between global plastic strain and the MD was quantified. The tendency for orientation change was quantified as a function of plastic strain and grain orientation for three crystallographic orientations (i.e., [100], [110], and [111]) with respect to tensile direction. The subpopulation of small grains exhibited a lower level of misorientation dispersion compared with larger grains, and this discrepancy became more pronounced at higher strains. An empirical equation was proposed to estimate the level of misorientation dispersion for individual grains as a function of grain size and global plastic strain level. Two interrupted in-situ SEM experiments were performed, and this resulted in a significantly increased misorientation compared with uninterrupted tests performed to similar plastic strain levels.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Magnetic properties of (Mo 2/3 Dy 1/3 ) 2 AlC arc melted polycrystalline samples

Here, this study investigates the structural and magnetic properties of arc-melted (Mo 2/3 Dy 1/3 ) 2 AlC polycrystalline samples, a member of the i-MAX phase family. Temperature-dependent magnetization and specific heat measurements confirm the low-temperature antiferromagnetic transitions around 14 K and 17 K. Neutron diffraction data collected at 4 K reveal the emergence of magnetic Bragg peaks that are not allowed in the paramagnetic space group C2/c, further confirming the presence of antiferromagnetic ordering. The detection of a secondary phase, DyAl 2 , is complicated by overlapping Bragg peaks with the monoclinic phase of (Mo 2/3 Dy 1/3 ) 2 AlC in powder XRD patterns. However, magnetization and neutron diffraction data suggest the presence of DyAl 2 , evidenced by a ferromagnetic phase transition around 62 K.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Doping in Efficient Polycrystalline CdSeTe Solar Cells via AsCl 3 Vapor Annealing

Doping in cadmium telluride (CdTe) thin-film solar cells is a critical step in producing highly efficient CdTe solar modules. To date, copper (Cu) ex-situ diffusion doping and group V in situ doping (such as arsenic, As) have been effectively used in manufacturing CdTe solar modules. However, Cu doping is prone to rapid degradation, whereas the low activation ratio of the dopants constrains group V in situ doping. Recently, ex-situ group V doping has been developed, showing an improved doping activation ratio through a solution process. Here, in this study, we developed a vapor-based AsCl 3 doping method for diffusion doping of polycrystalline CdSeTe devices. AsCl 3 vapor annealing can promote the diffusion of As into the bulk CdSeTe through a surface chemical reaction between CdTe and AsCl 3 . This approach has led to a long carrier lifetime of over 72 ns, V oc of 850 mV, and power conversion efficiency of ~18% with Au metal electrodes. The vapor-based ex situ group V doping approach offers an effective means to perform group V diffusion doping into the CdSeTe device.

14 SOLAR ENERGY↗
DOE OSTI2021

Dynamic thermal behavior of polycrystalline LaB 6 hollow cathodes

Lanthanum hexaboride (LaB6) hollow cathodes have demonstrated a capability for long life operation, which is critical to many space exploration missions. Thermal characterization of LaB6 hollow cathodes has revealed lower than expected electron emitter temperatures when the cathode reaches a steady state. This phenomenon is observed at discharge currents ranging from 5 to 35 A and xenon mass flow rates of 5–25 SCCM in cathodes with three different orifice diameters. Thus, the currently accepted value of the work function for polycrystalline LaB 6 , 2.67 eV, does not describe well the emission characteristics of LaB6 hollow cathodes operating with internal gas discharges at a steady state. We use empirically measured temperatures combined with a model of the hollow cathode emitter and xenon discharge to estimate the value of the work function, yielding a value ranging from 2.1 to 2.44 eV. This lower work function value implies that LaB6 hollow cathodes are expected to have even longer lifetimes than previously anticipated, further establishing them as a more suited alternative to other conventional cathode technologies for the task of long duration travel. Direct measurements of the work function as a function of depth on a hollow cathode emitter using x-ray photoelectron spectroscopy and ion beam milling indicate that the work function decreases with depth. We postulate several mechanisms that could explain the observed work function enhancement. Altogether, our results have important implications to the design, study approach, and operation of LaB 6 cathodes and potentially other cathodes with hollow configuration. Finally, our work opens the question of why the work function is reduced upon interaction with Xe plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Polycrystalline Thin-Film Research: Copper Indium Gallium Diselenide

Copper indium gallium diselenide (CIGS) solar cells are one of the primary focuses of research by the Thin Film Material Science and Processing Group. The group develops processes and materials related to thin-film polycrystalline photovoltaic (PV) devices as well as the equipment required for routine analysis of these devices and materials. We work closely with other groups in the Materials Science Center to achieve a deeper understanding of thin-film materials and devices.

capabilities↗
DOE OSTI2022

Anomalous Thermal Decomposition Behavior of Polycrystalline LiNi 0.8 Mn 0.1 Co 0.1 O 2 in PEO-Based Solid Polymer Electrolyte

we report that replacing liquid electrolytes (LEs) with polymer electrolytes has been considered a promising approach to developing next-generation lithium-ion batteries (LIBs) with high energy density and superior safety. Nevertheless, compared with the extensive research on the electrochemical stability of the cathode/polymer electrolyte interfaces, reports on their thermal behaviors are rare to date. Herein, this work systematically investigates the thermal stability of two typical layered oxide cathodes, LiCoO 2 (LCO) and LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811), with poly(ethylene oxide) (PEO) electrolyte and with carbonate LEs, respectively. It is found that the oxygen release from the cathodes plays a central role in thermal runaway. Replacing the LE with PEO electrolyte can considerably improve the thermal stability of LCO, but surprisingly, deteriorate that of NMC811. The reason is that the surface of single-crystalline LCO particles can be effectively passivated by the PEO electrolyte during heating, but PEO cannot sufficiently passivate all the primary particles of NMC811 owing to insufficient interface wettability of PEO electrolyte within the polycrystalline secondary NMC811 particles. The findings in this work collectively formulate valuable guidance for improving the safety of polymer-electrolyte-based as well as other types of all-solid-state lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Mechanism of Antiferroelectricity in Polycrystalline ZrO 2

The size and electric field dependent induction of polarization in antiferroelectric ZrO 2 is the key to several technological applications that are unimaginable a decade ago. However, the lack of a deeper understanding of the mechanism hinders progress. Molecular dynamics simulations of polycrystalline ZrO 2 , based on machine-learned interatomic forces with near ab initio quality, shed light on the fundamental mechanism of the size effect on the transition fields. Stress in the oxygen sublattice is the most important factor. The so constructed interatomic forces allow the calculation of the transition fields as a function of the ZrO 2 film thickness and predict the ferroelectricity at large thickness. The simulation results are validated with electrical and piezo response force microscopy measurements. The results allow a clear interpretation of the properties of the double-hysteresis loops as well as the construction of the free energy landscape of ZrO 2 grains.

36 MATERIALS SCIENCE↗
DOE OSTI2024

3D Ferroelectric Phase Field Simulations of Polycrystalline Multi‐Phase Hafnia and Zirconia Based Ultra‐Thin Films

Abstract HfO 2 – and ZrO 2 –based ferroelectric thin films have emerged as promising candidates for the gate oxides of next‐generation electronic devices. Recent work has experimentally demonstrated that a tetragonal/orthorhombic (t/o‐) phase mixture with partially in‐plane polarization can lead to negative capacitance (NC) stabilization. However, there is a discrepancy between experiments and the theoretical understanding of domain formation and domain wall motion in these multi‐phase, polycrystalline materials. Furthermore, the effect of anisotropic domain wall coupling on NC has not been studied so far. Here, 3D phase field simulations of HfO 2 – and ZrO 2 –based mixed‐phase ultra‐thin films on silicon are applied to understand the necessary and beneficial conditions for NC stabilization. It is found that smaller ferroelectric grains and a larger angle of the polar axis with respect to the out‐of‐plane direction enhances the NC effect. Furthermore, it is shown that theoretically predicted negative domain wall coupling even along only one axis prevents NC stabilization. Therefore, it is concluded that topological domain walls play a critical role in experimentally observed NC phenomena in HfO 2 – and ZrO 2 –based ferroelectrics.

30 DIRECT ENERGY CONVERSION↗