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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

Magnetoelastic vibration damping properties of TbDy alloys

Damping of axial and bending mode vibrations in giant magnetoelastic polycrystalline TbDy alloys was studied at cryogenic temperatures. All specimens of TbDy were arc-melted in the proper composition ratio and dropped into a chilled copper mold. Additional treatments consisted of cold plane-rolling to induce crystallographic texture and then heat-treating to relieve internal stress. Mechanical hysteretic losses were measured at various strains, frequencies, and loading configurations down to 77 K. Both as-cast and textured polycrystalline TbDy samples were tested along with an aluminum specimen for comparison. Loss factors at multiple natural vibration frequencies of the samples were measured for axial modes. Larger damping rates were measured for axial mode vibrations than for bending mode vibrations, possibly reflecting the larger specimen volume contributing to magnetoelastic damping. At LN2 temperatures TbDy materials demonstrated q > 0.05 at 0.01 Hz and q > 0.1 at higher frequencies from 0.6-1.5 kHz.

magnetoelastic TbDy↗
DOE OSTI2026

Atomistic understanding of interdependence of crystal growth of two seeds embedded in glass

Recent results showed that during growth, a crystal seed embedded in glass experiences nonuniform forces from the host matrix. This result raised the possibility that during devitrification of glass, the growth of a crystal can be affected by the presence of neighboring crystals. To investigate the nature of any such interdependence of growth of neighboring crystals, atomic scale morphology of two seeds growing in a glass matrix was simulated as a function of their separation and relative misorientation. The results show a coupled rotation of seeds driven by (1) non-uniform forces from the surrounding glass, and (2) mutual interactions between the seeds. At small separations and low misorientation, each seed rotates toward perfect alignment, ultimately forming a single crystal. The onset and rate of alignment, as well as subsequent crystal growth, are strongly dependent on the growth temperature. In contrast, at larger separations and higher misorientation, the seeds cannot achieve full alignment before coalescing, resulting in polycrystalline structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of substrate and growth method on vanadium dioxide thin films by RF magnetron sputtering: Vanadium metal oxidation vs reactive sputtering

Vanadium dioxide (VO 2 ) undergoes a metal–insulator phase transition at ~70 °C and has attracted substantial interest for potential applications in electronics, including those in neuromorphic computing. The vanadium–oxygen system has a rather complicated phase diagram, and controlling the stoichiometry and the phase of thin films of vanadium oxides is a well-known challenge. Here, we explore the novel combination of two methods of VO 2 thin film deposition using off-axis RF magnetron sputtering on (100)- and (111)-oriented yttria-stabilized zirconia (YSZ) substrates: reactive sputtering of vanadium in an oxygen environment and sputtering of vanadium metal followed by oxidation to VO 2 . Interestingly, the reactive sputtering process on both substrate orientations yields the metastable semiconducting VO 2 (B) phase, which is structurally stabilized by the YSZ surface. The metal sputtering and oxidation process on YSZ produces mainly the equilibrium monoclinic (or M1) phase of VO 2 that exhibits a metal–insulator transition. Using this method, we obtained thin films of (010)-textured polycrystalline VO 2 (M1) that show a metal–insulator transition with an on/off ratio larger than 1000.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A Generalizable Approach to Direct the Self-Assembly of Functional Blue-Phase Liquid Crystals

Blue phases (BPs) are soft and stimuli-responsive photonic crystals that are interesting for sensing, display, and lasing applications. Polycrystallinity has, however, limited both the study and applicability of BPs. Continuum simulations, which lack molecule-specific details, predict that striped chemical patterns, consisting of alternating homeotropic and planar regions, can be used to nucleate single crystals of BPs. Here it is experimentally demonstrated that, independent of the chemistry and complexity of the BP forming material, chemical patterns direct the self-assembly of BPs; these results indicate that a general, thermodynamics-based continuum description of BP self-assembly is adequate for a broad range of materials. When the pattern periodicity equals the BPII unit cell size, single crystals with (100) orientation form for all studied materials. Chemical patterns also promote the growth of BPI crystals with (110) orientation. Importantly, the self-assembly of a photopolymerizable BP is directed and thermally stable, UV-polymerized single crystals are prepared. As a result, the ability to create arbitrarily large, polymeric photonic single crystals with uniform lattice orientation, may have broad implications for optical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Novel n-type Device Architectures to Achieve 1 Volt V OC in Thin Film CdTe cells

The main goal of this project was to develop a novel thin film CdTe solar cell architecture based on an n-type absorber, which can overcome performance limitations associated with the typical p-Cd(Se)Te state-of-the-art architecture. Even today, the performance of the Cd(Se)Te cell continues to be limited by its open- circuit voltage, which is directly related to the net doping of the absorber. (currently @ approx. 900 mV for CdTe/CST device configuration). The proposed polycrystalline thin- film solar cell architecture was based on n-type CdTe (and CdSeTe) absorbers to overcome this limitation, since n-type CdTe absorbers offer advantages over p-type: (i) n-type dopability in CdTe is higher (than p), enabling higher doping and therefore higher V OC (ii) using a wide bandgap material as the p-contact, the n-CdTe cell can become a “bi-facial” cell, with the potential to increase energy yield up to 25% depending on environmental and mounting conditions.

14 SOLAR ENERGY↗
DOE OSTI2022

Canted antiferromagnetic phases in the candidate layered Weyl material EuMnSb 2

EuMnSb 2 is a candidate topological material which can be tuned towards a Weyl semimetal, but there are differing reports for its antiferromagnetic (AFM) phases. The coupling of bands dominated by pure Sb layers hosting topological fermions to Mn and Eu magnetic states provides a potential path to tune the topological properties. In this study we present single-crystal neutron diffraction, magnetization, and heat-capacity data as well as polycrystalline 151 Eu Mössbauer data which show that three AFM phases exist as a function of temperature, and we present a detailed analysis of the magnetic structure in each phase. The Mn magnetic sublattice orders into a C-type AFM structure below T N Mn = 323 (1) K with the ordered Mn magnetic moment μ Mn lying perpendicular to the layers. AFM ordering of the Eu sublattice occurs below T N Eu1 = 23 (1) K with the ordered Eu magnetic moment μ Eu canted away from the layer normal and μ Mn retaining its higher temperature order. μ Eu is ferromagnetically aligned within each Eu layer but exhibits a complicated AFM layer stacking. Both of these higher-temperature phases are described by magnetic space group (MSG) $\mathcal{Pn'm'a'}$ with the chemical and magnetic unit cells having the same dimensions. Cooling below T N Eu2 =9 (1) K reveals a third AFM phase where μ Mn remains unchanged but μ Eu develops an additional substantial in-plane canting. This phase has MSG $\mathcal{P11}$ $\frac{2_1}{a′}$. We also find some evidence of short-range magnetic correlations associated with the Eu between 12 K≲ T≲ 30 K . Using the determined magnetic structures, we postulate the signs of nearest-neighbor intralayer and interlayer exchange constants and the magnetic anisotropy within a general Heisenberg model. We then discuss implications of the various AFM states in EuMnSb 2 and their potential for tuning topological properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Statistical Estimation of Strain Using Spatial Correlation Functions

Ex-situ estimation of strains from deformed micrographs is not possible as there are no persistent features which can be tracked. Two point spatial statistics enable the rigorous quantification of spatial patterns in heterogeneous media. In this paper, we propose a novel method for estimating strains directly from dissimilar micrographs using a continuum mechanics approach. Rather than operating directly on images from sequential frames, as is done in digital image correlation, we operate on different microstructure realizations. This is made possible by comparing the spatial autocorrelation maps of deformed and undeformed micrographs rather than direct comparison of images. Additionally, a Bayesian framework is proposed for quantifying uncertainty. We first illustrate the efficacy of this method on speckle pattern images from digital image correlation experiments. Then, we demonstrate that the method is capable of operating on dissimilar micrographs using deformed synthetic binary microstructures. Finally, we present a case study on polycrystalline additively manufactured 316L deformed via tension. The proposed method works well and we discuss implications and limitations of the presented work.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploring the potential and impact of single-crystal active materials on dry-processed electrodes for high-performance lithium-ion batteries

Roll-to-roll powder-to-film dry processing (DP) and single-crystal (SC) active materials (AMs) with many advantages are two hot topics of lithium-ion batteries (LIBs). However, DP of SC AMs for LIBs is rarely reported. Consequently, the impact of SC AMs on dry-processed LIBs is not well understood. Herein, for the first time, via a set of experimental and theoretical studies of the conventional polycrystalline-AM- and SC-AM-based DPed electrodes (DPEs), this work not only reports a high-performance dry SC-AM cathode for LIB manufacturing, but also establishes some fundamental understanding of SC-based dry-processed electrodes, including their morphology, structure, mechanical strength, electronic conductivity and LIB electrochemical behavior. Further, the results suggest that DP of SC AMs is promising, which can dramatically improve the electrochemical kinetics at electrode level and particle level. Specifically, for the rate capability and long-term cyclability in full cells, SC DPEs exhibit a discharge specific capacity of 152.1 mAh g -1 at 1C and a capacity retention rate of 79.9 % at C/3 over 500 cycles, which are superior to those of PC DPEs (135.6 mAh g -1 and 68.3 %) at the same conditions and are further confirmed by the simulation data from the theoretical modelling study. Therefore, this comprehensive work marks a significant milestone for DP strategy and SC AMs, enlightening future research and development of LIB manufacturing.

25 ENERGY STORAGE↗
DOE OSTI2023

High Temperature Oxidation Behavior of Ni-based High Entropy Superalloys

A new class of polycrystalline gamma-prime strengthened superalloys with alloy compositions of (wt%) Ni-20Co-13Cr-6Fe-4Al-3W-2Mo-(4-x)Nb-(x)Ti (x = 0,1,2) were subjected to cyclic oxidation exposures in dry air at 800 °C for 3600 h. The alloys were borderline chromia/alumina formers, showing good oxidation resistance relative to commercially available materials of similar composition. While all alloys formed alumina scales initially, only the alloy with the lowest Ti/Nb ratio retained an alumina scale for the duration of the exposure. Formation of a continuous layer of rutile TiO 2 at the alumina/alloy interface is proposed to cause eventual alumina failure for the alloys containing Ti.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Space Processing Application Rocket project, SPAR 5

Post flight results and analysis are presented on the following experiments: 'Agglomeration in Immiscible Liquids', 'Contained Polycrystalline Solidification in Low G', 'The Direct Observation of Dendrite Remelting and Macrosegregation in Casting', and 'Uniform Dispersion by Crystallization'. An engineering report on the performance of the SPAR Black Brant rocket is also included. Much useful data and information were accumulated for directing and developing experimental techniques and investigations toward an expanding commercially beneficial program of materials processing in the coming shuttle era.

Reeves, F.↗
DOE OSTI2023

Direct measurement of the thermal expansion coefficient of epitaxial WSe 2 by four-dimensional scanning transmission electron microscopy

Current reports of thermal expansion coefficients (TEC) of two-dimensional (2D) materials show large discrepancies that span orders of magnitude. Determining the TEC of any 2D material remains difficult due to approaches involving indirect measurement of samples that are atomically thin and optically transparent. We demonstrate a methodology to address this discrepancy and directly measure TEC of nominally monolayer epitaxial WSe 2 using four-dimensional scanning transmission electron microscopy (4D-STEM). Experimentally, WSe 2 from metal-organic chemical vapor deposition (MOCVD) was heated through a temperature range of 18- 564 °C using a barrel-style heating sample holder to observe temperature-induced structural changes without additional alterations or destruction of the sample. By combining 4D-STEM measurements with quantitative structural analysis, the thermal expansion coefficient of nominally monolayer polycrystalline epitaxial 2D WSe 2 was determined to be (3.5 ± 0.9) × 10 -6 K -1 and (5.7 ± 2) × 10 -5 K -1 for the in- and out-of-plane TEC, respectively, and (3.6 ± 0.2) × 10 -5 K -1 for the unit cell volume TEC, in good agreement with historically determined values for bulk crystals.

2D materials↗
DOE OSTI2021

Microstructure-Based Estimation of Strength and Ductility Distributions for \(\alpha +\beta \) Titanium Alloys

Titanium alloys are processed to develop a wide range of microstructure configurations and therefore material properties. While these properties are typically measured experimentally, a framework for property prediction could greatly enhance alloy design and manufacturing. In this work, a microstructure-sensitive framework is presented for the prediction of strength and ductility as well as estimates of the bounds in variability for these properties. The framework explicitly considers distributions of microstructure via new approaches for instantiation of structure in synthetic samples. The parametric evaluation strategy, including the finite element simulation package FEpX, is used to create and test virtual polycrystalline samples to evaluate the variability bounds of mechanical properties in Ti-6Al-4V. Critical parameters for the property evaluation framework are provided by measurements of single crystal properties and advanced characterization of microstructure and slip system strengths in 2D and 3D. Property distributions for yield strength and ductility are presented, along with the validation and verification steps undertaken. Comparisons between strain localization and slip activity in virtual samples and in experimental grain-scale strain measurements are also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Measurement of phonon angular momentum

In condensed matter, angular momentum is intimately related to the emergence of topological quantum states, including chiral superconductivity, quantum spin liquids and various chiral quasiparticles. Recently, it has been predicted that microscopic lattice excitations, known as phonons, can carry finite angular momentum, leading to specific physical properties of materials. However, phonon angular momentum has not yet been observed directly. Here, in this study, we demonstrate that angular momentum conservation results in a macroscopic mechanical torque when applying a time-reversal symmetry-breaking thermal gradient along the chiral axis of single-crystal tellurium. We probe this torque using a cantilever-based device and establish that it changes sign by flipping the chirality or thermal gradient. This behavior disappears in polycrystalline samples that lack a preferred chirality. Our experimental results align well with theoretical calculations. We provide compelling evidence for phonon angular momentum, which might enable quantum states with potential applications in microelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Quantitative characterization of gradient microstructures: A study on friction stir spot processing of pure cobalt

Heterogeneous microstructures in polycrystalline metals can enhance the strength and ductility, outperforming homogeneous structures of similar composition. This study investigates deformed cobalt via friction stir spot processing with varying dwell times to uncover the effects of plastic deformation and heat generation on the formation of morphological, phase, and grain boundary character gradients. A new approach to quantify the morphological gradients in materials, which describes grain morphology in terms of density followed by parametric regression, enables direct quantification of processing depth and gradient sharpness. Results show that longer processing times increase the steepness of morphological gradients and reduce the deformation depth for friction stir spot processing with low plunge depths and high tool rotational speeds. The amount of retained FCC is increased in the shorter processing conditions, primarily due to refined grain size, increased defect content, and reduced heat generation. Crystallographic texture analysis of the HCP phase indicated a dominant B-fiber described by (0001) ∥ shear plane normal in the extreme processing conditions and the formation of a P-fiber, shear direction ∥ ⟨11$\bar2$0⟩ for intermediate dwell times. The texture of the FCC phase for low processing times was a C texture {100}⟨011⟩ where longer processing times were dominated by a [001] fiber texture with a main {110}⟨100⟩ orientation and emergence of a slight [111] fiber in the longest processing condition. The approaches outlined in this work give insight into quantifying gradients and improve the understanding of highly deformed cobalt.

36 MATERIALS SCIENCE↗
DOE OSTI2020

X-ray Laue Microdiffraction and Raman Spectroscopic Investigation of Natural Silicon and Moissanite

Moissanite, SiC, is an uncommon accessory mineral that forms under low oxygen fugacity. Here, we analyze natural SiC from a Miocene tuff-sandstone using synchrotron Laue microdiffraction and Raman spectroscopy, in order to better understand the SiC phases and formation physics. The studied crystals of SiC consist of 4H- and 6H-SiC domains, formed from either, continuous growth or, in one case, intergrown, together with native Si. The native Si is polycrystalline, with a large crystal size relative to the analytical beam dimensions (>1–2 μm). We find that the intergrown region shows low distortion or dislocation density in SiC, but these features are comparatively high in Si. The distortion/deformation observed in Si may have been caused by a mismatch in the coefficients of thermal expansion of the two materials. Raman spectroscopic measurements are discussed in combination with our Laue microdiffraction results. Our results suggest that these SiC grains likely grew from an igneous melt.

58 GEOSCIENCES↗
DOE OSTI2023

The Influence of Strain Path and Heat Treatment Variations on Recrystallization in Cold-Rolled High-Purity Niobium Polycrystals

With the standard material and cavity production guidelines, the properties and performance of industrially produced high-purity niobium superconducting radiofrequency (SRF) cavities are unpredictably variable. Currently, assembled niobium SRF cavities undergo post-purification vacuum heat treatment at 800 °C for three hours to remove hydrogen and increase performance; however, recent work has shown significant improvements in cavity performance when annealed between 900–1000 °C, causing recrystallization (Rx). Increasing the annealing temperature and/or the heating rate should facilitate the onset of Rx, resulting in a greater reduction in the density of geometrically necessary dislocations (GNDs) that are strongly associated with the degradation of cavity performance via trapped magnetic flux. Improving the SRF community's understanding of the influence of both heat treatment and deformation history on the resulting microstructure and Rx behavior in high-purity niobium is needed. This fundamental metallurgy is critical for identifying improved specifications for the consistent production of high-performing niobium SRF cavities. This research investigates variations in deformation paths, heating rates, and annealing temperatures on Rx of deformed samples of polycrystalline high-purity niobium. To assess the effects of strain path, samples were cold-rolled to ~30% reduction prior to annealing, with half of the sample set rolled parallel to the as-received niobium sheet and the other half in the transverse direction.

36 MATERIALS SCIENCE↗