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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Real-space texture and pole-figure analysis using the 3D pair distribution function on a platinum thin film

An approach is described for studying texture in nanostructured materials. The approach implements the real-space texture pair distribution function (PDF), txPDF, laid out by Gong & Billinge {(2018). arXiv:1805.10342 [cond-mat]}. It is demonstrated on a fiber-textured polycrystalline Pt thin film. The approach uses 3D PDF methods to reconstruct the orientation distribution function of the powder crystallites from a set of diffraction patterns, taken at different tilt angles of the substrate with respect to the incident beam, directly from the 3D PDF of the sample. A real-space equivalent of the reciprocal-space pole figure is defined in terms of interatomic vectors in the PDF and computed for various interatomic vectors in the Pt film. Furthermore, it is shown how a valid isotropic PDF may be obtained from a weighted average over the tilt series, including the measurement conditions for the best approximant to the isotropic PDF from a single exposure, which for the case of the fiber-textured film was in a nearly grazing incidence orientation of ∼10°. Finally, an open-source Python software package, FouriGUI , is described that may be used to help in studies of texture from 3D reciprocal-space data, and indeed for Fourier transforming and visualizing 3D PDF data in general.

3D pair distribution functions↗
DOE OSTI2021

Texture Memory in Hexagonal Metals and Its Mechanism

Texture memory is a phenomenon in which retention of initial textures occurs after a complete cycle of forward and backward transformations, and it occurs in various phase-transforming materials including cubic and hexagonal metals such as steels and Ti and Zr alloys. Texture memory is known to be caused by the phenomena called variant selection, in which some of the allowed child orientations in an orientation relationship between the parent and child phases are preferentially selected. Without such variant selection, the phase transformations would randomize preferred orientations. In this article, the methods of prediction of texture memory and mechanisms of variant selections in hexagonal metals are explored. The prediction method using harmonic expansion of orientation distribution functions with the variant selection in which the Burgers orientation relationship, {110}β//{0001} α-hex <1$\bar{1}$1>β//$\langle2\bar{11}0\rangle$ α-hex , is held with two or more adjacent parent grains at the same time, called “double Burgers orientation relation (DBOR)”, is introduced. This method is shown to be a powerful tool by which to analyze texture memory and ultimately provide predictive capabilities for texture changes during phase transformations. Variation in nucleation and growth rates on special boundaries and an extensive growth of selected variants are also described. Analysis of textures of commercially pure Ti observed in situ by pulsed neutron diffraction reveals that the texture memory in CP-Ti is indeed quite well predicted by consideration of the mechanism of DBOR. The analysis also suggests that the nucleation and growth rates on the special boundary of 90° rotation about $\langle2\bar{11}0\rangle$ α-hex should be about three times larger than those of the other special boundaries, and the selected variants should grow extensively into not only one parent grain but also other grains in α-hex(hexagonal)→β(bcc) transformation. The model calculations of texture development during two consecutive cycles of α-hex→β→α-hex transformation in CP-Ti and Zr are also shown.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Microlite orientation in obsidian flow measured by synchrotron X-ray diffraction

Clinopyroxene and plagioclase (andesine) microlites in an obsidian flow from Glass Mountain (NE California, USA) display strong alignment. Synchrotron X-ray diffraction, coupled with Rietveld analysis, was used to quantify crystallographic-preferred orientation (CPO). Clinopyroxene, with a rod-shaped morphology, shows a strong alignment of [001] in the flow direction and (010) aligned parallel to the inferred flow plane. Andesine, with a platy morphology, displays an alignment of (010) platelets in the flow plane. Some pole densities exceed 90 multiples of random distribution. Applying a model of rigid ellipsoidal inclusions in a viscous matrix, the local pure shear strains are between 2 and 3.

58 GEOSCIENCES↗
DOE OSTI2019

CT-based machine learning model to predict the Fuhrman nuclear grade of clear cell renal cell carcinoma

Purpose: To predict the Fuhrman grade of clear cell renal cell carcinoma (ccRCC) with a machine learning classifier based on single- or three-phase computed tomography (CT) images. Materials and methods: Patients with pathologically proven ccRCC from February 1, 2009 to September 31, 2018 who were not treated were retrospectively collected for machine learning-based analysis. The texture features were extracted and ranked from precontrast phase (PCP), corticomedullary phase (CMP), nephrographic phase (NP) and three-phase CT images, and open-source gradient boosting from the decision tree library of CatBoost was used to establish a machine learning classifier to differentiate low- from high-grade ccRCC. The performances of machine learning classifiers based on features from single- and three-phase CT images were compared with each other. Results: A total of 231 patients with 232 pathologically proven ccRCC lesions were retrospectively collected. 35, 36, 41, and 22 Features were extracted and ranked from PCP, CMP, NP, and three-phase CT images, respectively. The machine learning model based on three-phase CT images [area under the ROC curve (AUC) = 0.87] achieved the best diagnostic performance for differentiating low- from high-grade ccRCC, followed by single-phase NP (AUC = 0.84), CMP (AUC = 0.80), and PCP images (AUC = 0.82). Conclusion: Machine learning classifiers can be promising noninvasive techniques to differentiate low- and high-Fuhrman nuclear grade ccRCC, and classifiers based on three-phase CT images are superior to those based on features from each single phase.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

High stereographic resolution texture and residual stress evaluation using time-of-flight neutron diffraction

Neutron diffraction texture measurements provide bulk averaged textures with excellent grain orientation statistics, even for large-grained materials, owing to the probed volume being of the order of 1 cm 3 . Furthermore, crystallographic parameters and other valuable microstructure information such as phase fraction, coherent crystallite size, root-mean-square microstrain, macroscopic or intergranular strain and stress, etc. can be derived from neutron diffractograms. A procedure for combined high stereographic resolution texture and residual stress evaluation was established on the pulsed-neutron-source-based engineering materials diffractometer TAKUMI at the Materials and Life Science Experimental Facility of the Japan Proton Accelerator Research Center, through division of the neutron detector panel regions. Pole figure evaluation of a limestone standard sample with a well known texture suggested that the precision obtained for texture measurement is comparable to that of the established neutron beamlines utilized for texture measurement, such as the HIPPO diffractometer at the Los Alamos Neutron Science Center (New Mexico, USA) and the D20 angle-dispersive neutron diffractometer at the Institut Laue–Langevin (Grenoble, France). A high-strength martensite–austenite multilayered steel was employed for further verification of the reliability of simultaneous Rietveld analysis of multiphase textures and macro stress tensors. By using a texture-weighted geometric mean micromechanical (BulkPathGEO) model, a macro stress tensor analysis with a plane stress assumption showed a rolling direction–transverse direction (RD–TD) in-plane compressive stress (about –330 MPa) in the martensite layers and an RD–TD in-plane tensile stress (about 320 MPa) in the austenite layers. The phase stress partitioning was ascribed mainly to the additive effect of the volume expansion during martensite transformation and the linear contraction misfit between austenite layers and newly transformed martensite layers during the water quenching process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Recovery of Kraft Lignin from OPEFB and Using for Lignin–Agarose Hydrogel

Lignins from the spent pulping liquor were normally acquired as waste product of pulp and paper mills. The possibilities of utilizing kraft lignin have yet been developed for commercial innovation. The objectives of this research are to recovery and utilization of lignin from black liquor of oil palm empty fruit bunches (OPEFBs). Kraft lignins from the OPEFBs black liquor were recovered by acidification procedure. They were precipitated at pH 4, 3, and 2 in order that determine the optimum pH for isolation. It can be clearly seen that the best condition of lignin precipitation was at pH 3. It offered the highest yield and purity. The kraft lignin and agarose were utilized as the crude material for the production of lignin–agarose hydrogel. Lignin–agarose hydrogel could be prepared by using epichlorohydrin as the cross-linking agent. The cross-linking occurrence was recognized by FTIR. Physical and chemical properties of hydrogel were investigated. Gel strength of lignin–agarose hydrogel was characterized by texture personal analysis. The results demonstrated that the gel strength increased with increasing of lignin and epichlorohydrin (ECH) in agarose solutions. 5% lignin, 5% agarose and 10 mL ECH contributed the best gel formation and the great mechanical properties. The effect of cross-linking condition on the gel properties, for example, gel hardness and fracturability, was examined.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Variant selection in laser powder bed fusion of non-spherical Ti-6Al-4V powder

The presence of α/α' on prior β/β grain boundaries directly impacts the final mechanical properties of the titanium alloys. The β/β grain boundary variant selection of titanium alloys has been assumed to be unlikely owing to the high cooling rates in laser powder bed fusion (L-PBF). However, we hypothesize that powder characteristics such as morphology (non-spherical) and particle size (50–120 µm) could affect the initial variant selection in L-PBF processed Ti-6Al-4V alloy by locally altering the cooling rates. Despite the high cooling rate found in L-PBF, the results showed the presence of β/β grain boundary α' lath growth inside two adjacent prior β grains. Electron backscatter diffraction micrographs confirmed the presence of β/β grain boundary variant selection, and synchrotron X-ray high-speed imaging observation revealed the role of the “shadowing effect” on the locally decreased cooling rate because of keyhole depth reduction and the consequent β/β grain boundary α' lath growth. The self-accommodation mechanism was the main variant selection driving force, and the most abundant α/α boundary variant was type 4 (63.26°//[ $\bar{10}$ 5 5 $\bar{3}$ ]). The dominance of Category II α lath clusters associated with the type 4 α/α boundary variant was validated using the phenomenological theory of martensite transformations and analytical calculations, from which the stress needed for the β→α' transformation was calculated.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A new analysis approach based on Haralick texture features for the characterization of microstructure on the example of low-alloy steels

Highlights: • Microstructures were characterized based on orientation-invariant image-texture features. • A new parameter called “amplitude”, was formulated and is based on image rotation and the Haralick parameters: texture contrast, correlation, homogeneity and energy. • The proposed method is insensitive to changing image resolution and image contrast/brightness settings. - Abstract: Microstructures were analyzed by an improved texture-based method using gray level co-occurrence matrices (GLCM). This method is based on a new parameter calculated from the stepwise rotation of images and thereby, calculating the values independent of the original texture orientation. The proposed method was applied on a database of etched and scanning electron microscopy (SEM)-imaged low-carbon steel microstructures that are currently extensively used for automated microstructure classification. The results on the microstructures consisting of pearlitic, lath martensitic and lower bainitic constituents revealed that the method allows a significant separation of various types of microstructures in the ideal case of square-shaped cutouts. For complete grains of the corresponding second phases, the results imply that the application of a classifier is advantageous to distinguish them with a sufficient accuracy. The robustness and workability of the method was further demonstrated by discussing the effect of varying the image resolution and contrast/brightness settings during image acquisition. It was shown that such user-dependent setting parameters do not impair the separability of the steel constituents by using the proposed method.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Rietveld Refinement for Macromolecular Powder Diffraction

Powder X-ray diffraction (PXRD) has been employed extensively for the structural characterization of materials, quantitative analysis of multicomponent mixtures, phase identification, texture, and microstructural analysis. At the heart of all those lies the Rietveld method, which has revolutionized the use of powder diffraction for materials studies. Initially applied to minerals and inorganics, the Rietveld method has progressively been used for more complex materials, for instance, zeolites and pharmaceuticals. A major advance of the method came some 20 years ago, when the first protein structure was successfully refined. Because of the sheer complexity of macromolecules, several new approaches and algorithms had to be pioneered or adapted from macromolecular single-crystal diffraction experiments, thus constituting macromolecular PXRD a quite unique field of study. This review aims to provide necessary elements of theory and application of structure solution and refinement via the Rietveld method for macromolecular PXRD data. Here, practical explanations and highlighted case studies are also presented.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Machine learning-based multidomain processing for texture-based image segmentation and analysis

Atomic and molecular resolved atomic force microscopy (AFM) images offer unique insights into materials' properties such as local ordering, molecular orientation, and topological defects, which can be used to pinpoint physical and chemical interactions occurring at the surface. Utilizing machine learning for extracting underlying physical parameters increases the throughput of AFM data processing and eliminates inconsistencies intrinsic to manual image analysis, thus enabling the creation of reliable frameworks for qualitative and quantitative evaluation of experimental data. Here, we present a robust and scalable approach to the segmentation of AFM images based on flexible pre-selected classification criteria. The usage of supervised learning and feature extraction allows us to retain the consideration of specific problem-dependent features (such as types of periodical structures observed in the images and the associated numerical parameters: spacing, orientation, etc.). We highlight the applicability of this approach for the segmentation of molecular resolved AFM images based on the crystal orientation of the observed domains, automated selection of boundaries, and collection of relevant statistics. Finally, we outline a general strategy for machine learning-enabled analysis of nanoscale systems exhibiting periodic order that could be applied to any analytical imaging technique

36 MATERIALS SCIENCE↗
NASA NTRS1982

Geological-structural interpretation using products of remote sensing in the region of Carrancas, Minas Gerais, Brazil

The efficiency of some criteria developed for the utilization of small scale and low resolution remote sensing products to map geological and structural features was demonstrated. Those criteria were adapted from the Logical Method of Photointerpretation which consists of textural qualitative analysis of landforms and drainage net patterns. LANDSAT images of channel 5 and 7, 4 LANDSAT-RBV scenes, and 1 radar mosiac were utilized. The region of study is characterized by supracrustal metassediments (quartzites and micaschist) folded according to a "zig-zag" pattern and gnaissic basement. Lithological-structural definition was considered outstanding when compared to data acquired during field work, bibliographic data and geologic maps acquired in larger scales.

Parada, N. D. J.↗
NASA NTRS1983

Ferromagnesian chondrules in carbonaceous chondrites

Carbonaceous chondrites (groups CO and CV) contain three types of ferromagnesian chondrules that can be distinguished on the basis of mineralogy and texture. Statistical analysis of the bulk chemical compositions of these chondrule types suggest that two of the three types are genetically related. The chondrules in carbonaceous chondrites can thus be separated into two populations. These populations are also apparently distinct in terms of redox state and oxygen isotopic composition. The more abundant population (I) is clearly different from chondrules in unequilibrated ordinary chondrites, but the minor population (II) is similar to them in many respects. These chondrule populations may have formed by melting of solid, locally homogeneous precursor materials in different regions of the nebula, and were mixed after solidification was complete.

Mcsween, H. Y., Jr.↗
NASA NTRS1989

The visually guided control of simulated altitude

Simulated "flights" over three different ground textures were used to examine people's ability to extract optical information useful for active regulation of altitude. The textures were regularly spaced lines as follows: 1) orthogonal to the direction of flight (latitude texture); 2) parallel to the direction of flight (meridian texture); and 3) both parallel and orthogonal (square texture). Visual constant velocity forward flight simulations were displayed on a CRT screen, and subjects asked to maintain one of three initial altitudes using a rate control stick. This task was made difficult by the presence of lateral (irrelevant) and vertical (relevant) "wind gusts." The attitude never varied as winds, forward speed, and vertical rate control resulted in only translational movements. Adjusted root mean square errors (ARMSE) showed altitude regulation was more difficult at higher altitudes and when flying over meridian textures. Refined analysis of a single subject's data showed that this was due both to poorer regulation of the vertical wind disturbance and to a tendency to confuse the lateral wind disturbance for a vertical disturbance.

Vision↗
NASA NTRS2008

Quantitative Morphologic Analysis of Boulder Shape and Surface Texture to Infer Environmental History: A Case Study of Rock Breakdown at the Ephrata Fan, Channeled Scabland, Washington

Boulder morphology reflects both lithology and climate and is dictated by the combined effects of erosion, transport, and weathering. At present, morphologic information at the boulder scale is underutilized as a recorder of environmental processes, partly because of the lack of a systematic quantitative parameter set for reporting and comparing data sets. We develop such a parameter set, incorporating a range of measures of boulder form and surface texture. We use standard shape metrics measured in the field and fractal and morphometric classification methods borrowed from landscape analysis and applied to laser-scanned molds. The parameter set was pilot tested on three populations of basalt boulders with distinct breakdown histories in the Channeled Scabland, Washington: (1) basalt outcrop talus; (2) flood-transported boulders recently excavated from a quarry; and (3) flood-transported boulders, extensively weathered in situ on the Ephrata Fan surface. Size and shape data were found to distinguish between flood-transported and untransported boulders. Size and edge angles (approximately 120 degrees) of flood-transported boulders suggest removal by preferential fracturing along preexisting columnar joints, and curvature data indicate rounding relative to outcrop boulders. Surface textural data show that boulders which have been exposed at the surface are significantly rougher than those buried by fan sediments. Past signatures diagnostic of flood transport still persist on surface boulders, despite ongoing overprinting by processes in the present breakdown environment through roughening and fracturing in situ. Further use of this quantitative boulder parameter set at other terrestrial and planetary sites will aid in cataloging and understanding morphologic signatures of environmental processes.

Ehlmann, Bethany L.↗
DOE OSTI2019

Probing orientation information using 3-dimensional reciprocal space volume analysis

We present that the crystallographic texture of polycrystalline materials is the result of how these materials are processed and what external forces materials have experienced. Neutron and X-ray diffraction are standard methods to characterize global crystallographic textures. However, conventional neutron and X-ray texture analyses rely on pole figure inversion routines derived from intensity analysis of individual reflections or powder Rietveld analysis to reconstruct and model the orientation distribution from slices through reciprocal space. In this work, we describe an original approach to directly probe the crystallographic texture information of rolled aluminum from the intensity distribution in 3-dimensional reciprocal space volumes measured simultaneously. Using the TOPAZ time-of-flight Laue neutron diffractometer, reciprocal space analysis allowed determination of “pole spheres” with <1° angular resolution. Finally, these pole spheres are compared with reconstructed pole figures from classic texture analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A method to predict texture effect on ion beam channeling analysis of polycrystals and the application to study the mosaic spreading effect in highly oriented pyrolytic graphite

We propose a method to convert the channeling Rutherford backscattering spectrum yield map of a single crystal to a polycrystal through a matrix rotation technique. The rotation matrix is determined by the deviation of the crystal axial direction from the original z axis. The final yield map is created after averaging the rotated yields using the texture function as the weight factor. For highly oriented pyrolytic graphite (HOPG) exhibiting mosaic spread, the method leads to a Gaussian kernel averaging of the map obtained from a single crystal. The yield map of a single crystal is obtained by a simulation of ion trajectories in a potential field described by Moliere screened Coulomb potentials. Yield maps are calculated under various σ values (standard deviations of mosaic spread). The simulated results are compared with experimental results obtained using 1.2 MeV alpha particle. σ is extracted through the best fitting, demonstrating that the method can be used to obtain texture details. The effects of mosaic spread on minimum yield χ min and the half-width at half maximum of angular scans ψ ½ are systematically modeled and compared with previous theoretical equations. The study also shows that previous theoretical equations are valid only at small σ values. The proposed method can be applied to any type of polycrystal and is not limited to HOPG. It provides near-surface mosaic spread and crystallography information with a longitudinal depth resolution of tens of nanometers and is not influenced by grain shapes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Powder diffraction

Powder diffraction is a non-destructive technique, which is experimentally simple in principle. Because the physics behind diffraction is well understood, an exceptionally large amount of information can be obtained from a single measurement. The positions and relative intensities of the peaks yield a fingerprint that can be used for qualitative phase analysis. Quantitative phase analysis can be obtained by detailed analysis of the intensities. Unit cells can be derived from the peak positions. Crystal structures can be solved using powder diffraction data and refined by the Rietveld method. The peak profiles contain information about crystallite size, strain and nanostructure. Non-idealities in the intensities give information on texture. Abandoning the crystallographic model provides information about local structure, by pair distribution function analysis. For powder diffraction, everything is a sample; the technique is commonly applied to characterize minerals, ceramics, metals and alloys, catalysts, polymers, pharmaceuticals, organic compounds, environmental and forensic samples, among others. The major features of contemporary laboratory powder diffractometers are described. Methods for obtaining suitable powder specimens are summarized. Major applications of qualitative and quantitative phase analysis, structure solution, size/strain/nanostructure analysis using peak profiles, texture analysis and pair distribution function analysis are introduced.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

High energy X-ray characterization of the microstructure of PuGa alloy samples at macroscopic depths and non-ambient conditions

High energy (95 keV) X-rays were utilized to characterize the microstructure of eight PuGa alloy samples at room temperature and during cooling to ∼10 K. The samples had different Ga content (nominally 0-3.4 at.%), age, and history. A ninth sample, similarly characterized with neutron diffraction, was included to extend the Ga range to 7 at.%. The samples span the range from single phase α (monoclinic) to δ (face-centered cubic) PuGa, as well as a two-phase α′/δ sample. The crystallographic textures, phase fractions, lattice parameters and dislocation densities of each sample were evaluated through distinct analysis techniques. The textures of the samples were modest. In each case, the dislocation densities were relatively high, comparable to cold worked metals and metals exposed to similar radiation dose. At room temperature, the lattice parameters determined in the predominantly single-phase samples were larger than expected based on the nominal Ga concentration. The observed lattice thermal expansions of the single-phase δ samples to 10 K are self-consistent across the samples and consistent with previous measurements reported in the literature. Significantly larger thermal lattice strain is observed in the δ phase of the two-phase material due to mechanical constraint from the α′ phase, which has a three times larger thermal expansion and is much harder than the δ phase. In conclusion, the results demonstrate the unique value of high-energy X-rays for relatively routine microstructural characterization of Pu alloy samples.

36 MATERIALS SCIENCE↗