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Use of feature extraction techniques for the texture and context information in ERTS imagery: Spectral and textural processing of ERTS imagery

The author has identified the following significant results. A procedure was developed to extract cross-band textural features from ERTS MSS imagery. Evolving from a single image texture extraction procedure which uses spatial dependence matrices to measure relative co-occurrence of nearest neighbor grey tones, the cross-band texture procedure uses the distribution of neighboring grey tone N-tuple differences to measure the spatial interrelationships, or co-occurrences, of the grey tone N-tuples present in a texture pattern. In both procedures, texture is characterized in such a way as to be invariant under linear grey tone transformations. However, the cross-band procedure complements the single image procedure by extracting texture information and spectral information contained in ERTS multi-images. Classification experiments show that when used alone, without spectral processing, the cross-band texture procedure extracts more information than the single image texture analysis. Results show an improvement in average correct classification from 86.2% to 88.8% for ERTS image no. 1021-16333 with the cross-band texture procedure. However, when used together with spectral features, the single image texture plus spectral features perform better than the cross-band texture plus spectral features, with an average correct classification of 93.8% and 91.6%, respectively.

Haralick, R. H.↗

Development of analysis techniques for remote sensing of vegetation resources

Various data handling and analysis techniques are summarized for evaluation of ERTS-A and supporting high flight imagery. These evaluations are concerned with remote sensors applied to wildland and agricultural vegetation resource inventory problems. Monitoring California's annual grassland, automatic texture analysis, agricultural ground data collection techniques, and spectral measurements are included.

Draeger, W. C.↗

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↗

Image Analysis for Rapid Assessment and Quality-Based Sorting of Corn Stover

Imaging in the visible spectrum is a low-cost tool that can be readily deployed for in-field or over-belt monitoring of biomass quality for bio-refining operations. Rapid image analysis coupled with innovative preprocessing may reduce the impacts of feedstock variability through identification of contaminants or other material attributes to guide selective sorting and quality management. Image analysis was employed to evaluate the quality of corn stover in red-green-blue (RGB) chromatic space. This study used controlled, bench-scale imaging as a proof-of-concept for rapid quality assessment of corn stover based on variations in material attributes, including chemical and physical attributes, that relate to biological degradation and soil contamination. Additionally, logistic regression-based classification algorithms were used to develop a method for biomass screening as a function of biological degradation or soil contamination. This study demonstrated the use of image analysis to extract features from RGB color space to investigate variations in critical material attributes from chemical composition of corn stover. Fourier transform infrared (FT-IR) suggested a correlation between red band intensity and biological degradation, while detailed surface texture analysis was found to distinguish among variations in ash. These insights offer promise for development of a rapid screening tool that could be deployed by farmers for in-field assessment of biomass quality or biorefinery operators for in-line sorting and process optimization.

09 BIOMASS FUELS↗

Some textures in Apollo 12 lunar igneous rocks and in terrestrial analogs.

The interpretation of immature crystallization and some lunar textures characterized by it are the principal objectives of this investigation. A comparative and selective approach is adopted, and particular reference is made to the form and textural relations of olivine in 12009 and of pyroxenes and plagioclase in 12021, and to terrestrial analogs. The optic orientation of the olivines in 12009 is determined, and their skeletal crystallization is illustrated and evaluated. Microprobe and optical data are associated in a textural analysis of an analog from the upper contact of a minor intrusion in Skye. The optic orientation of pyroxene enclosed in plagioclase cores is determined, and the results are plotted stereographically. The need for greater precision in the use of textural terms is stressed, and a new term - intrafasciculate - is introduced for textures in which pyroxene has crystallized within hollow, skeletal plagioclase. Apollo 12 pyroxene-phyric basalts are texturally reviewed, and the crystallization of the phenocrysts is discussed, emphasis being placed on size-independence of skeletal growth.

Drever, H. I.↗

Engineering the Microstructure and Morphology of Explosive Films via Control of Interfacial Energy

Physical vapor deposition of organic explosives enables growth of polycrystalline films with a unique microstructure and morphology compared to the bulk material. This study demonstrates the ability to control crystal orientation and porosity in pentaerythritol tetranitrate films by varying the interfacial energy between the substrate and the vapor-deposited explosive. Additionally, variation in density, porosity, surface roughness, and optical properties is achieved in the explosive film, with significant implications for initiation sensitivity and detonation performance of the explosive material. Various surface science techniques, including angle-resolved X-ray photoelectron spectroscopy and multiliquid contact angle analysis, are utilized to characterize interfacial characteristics between the substrate and explosive film. Optical microscopy and scanning electron microscopy of pentaerythritol tetranitrate surfaces and fracture cross sections illustrate the difference in morphology evolution and the microstructure achieved through surface energy modification. X-ray diffraction studies with the Tilt-A-Whirl three-dimensional pole figure rendering and texture analysis software suite reveal that high surface energy substrates result in a preferred (110) out-of-plane orientation of pentaerythritol tetranitrate crystallites and denser films. Low surface energy substrates create more randomly textured pentaerythritol tetranitrate and lead to nanoscale porosity and lower density films. This work furthers the scientific basis for interfacial engineering of polycrystalline organic explosive films through control of surface energy, enabling future study of dynamic and reactive detonative phenomena at the microscale. Results of this study also have potential applications to active pharmaceutical ingredients, stimuli-responsive polymer films, organic thin film transistors, and other areas.

36 MATERIALS SCIENCE↗

Land use mapping using edge density texture measures on Thematic Mapper simulator data

Texture analysis was performed as part of an investigation of the information content of Thematic Mapper (TM) imagery. High altitude aircraft scanner imagery from the Airborne Thematic Mapper (ATM) instrument was acquired over central California and used to simulate TM data. Edge density texture images were constructed by computation of proportions of edge pixels in a 31 x 31 moving window on a near infrared ATM band. A training technique was employed to select computational parameters to maximize the difference between edge density measurements in urban and in rural areas. The results of classification of the texture images showed that urban and rural areas could be distinguished with texture alone, indicating that inclusion of texture in automated classification procedures could significantly improve their accuracy.

Hlavka, C. A.↗

Accumulative Roll Bonding of Alloy 2205 Duplex Steel and the Accompanying Impacts on Microstructure, Texture, and Mechanical Properties

The mechanical and microstructural evolution of Alloy 2205 during severe plastic deformation is examined in this study. A combination of accumulative roll bonding (ARB) and cold rolling results in the successful formation of a nanograined dual-phase microstructure of austenite and ferrite with some transformed martensite. Severe deformation to cumulative reductions of 80.5, 92.5, 95, and 97 pct were performed. Microscopy indicates that grain dimensions in the sheet normal direction is less than 100 nm for reductions ≥ 92.5 pct. Shear banding is observed at reductions ≥ 95 pct while twinning is only observed at reductions < 92.5 pct. Neutron diffraction measurements indicated the presence of martensite for reductions ≥ 95 pct at ~ 8 pct volume fraction. Taken in conjunction, it appears that during initial ARB processing, both slip and twinning are active plastic mechanisms. As twinning becomes exhausted, martensitic transformation, slip, and intermittent shear banding account for the active plasticity mechanisms. Material hardness saturates at 92.5 pct reduction, with a maximum hardness of 45 HRC. Sub-sized tensile testing confirms this approximate hardness with measurements indicating a UTS of ~ 1440 MPa. Texture analysis of crystal orientation distributions in the plate normal direction suggest an approximate Kurdjumov–Sachs orientation relationship at all reductions above 80 pct indicating stability of the orientation relationship at high strains. The intragranular structure develops a fine scale sub-grain content with increasing deformation, resulting in a continual evolution of texture up to and including 97 pct reduction. The final structure presents strong components of Goss and rotated cube texture in both the austenite and ferrite. In this body of work we aim to compare ARB of an industrially relevant FCC/BCC system (Alloy 2205) to historical model FCC/BCC systems such as Cu/Nb.

36 MATERIALS SCIENCE↗

On the Implementation of a Land Cover Classification System for SAR Images Using Khoros

The Synthetic Aperture Radar (SAR) sensor is widely used to record data about the ground under all atmospheric conditions. The SAR acquired images have very good resolution which necessitates the development of a classification system that process the SAR images to extract useful information for different applications. In this work, a complete system for the land cover classification was designed and programmed using the Khoros, a data flow visual language environment, taking full advantages of the polymorphic data services that it provides. Image analysis was applied to SAR images to improve and automate the processes of recognition and classification of the different regions like mountains and lakes. Both unsupervised and supervised classification utilities were used. The unsupervised classification routines included the use of several Classification/Clustering algorithms like the K-means, ISO2, Weighted Minimum Distance, and the Localized Receptive Field (LRF) training/classifier. Different texture analysis approaches such as Invariant Moments, Fractal Dimension and Second Order statistics were implemented for supervised classification of the images. The results and conclusions for SAR image classification using the various unsupervised and supervised procedures are presented based on their accuracy and performance.

Medina Revera, Edwin J.↗

A scene-analysis approach to remote sensing

The author has identified the following significant results. Geometric correspondance between a sensed image and a symbolic map is established in an initial stage of processing by adjusting parameters of a sensed model so that the image features predicted from the map optimally match corresponding features extracted from the sensed image. Information in the map is then used to constrain where to look in an image, what to look for, and how to interpret what is seen. For simple monitoring tasks involving multispectral classification, these constraints significantly reduce computation, simplify interpretation, and improve the utility of the resulting information. Previously intractable tasks requiring spatial and textural analysis may become straightforward in the context established by the map knowledge. The use of map-guided image analysis in monitoring the volume of water in a reservoir, the number of boxcars in a railyard, and the number of ships in a harbor is demonstrated.

Tenenbaum, J. M.↗

Advances in image compression and automatic target recognition; Proceedings of the Meeting, Orlando, FL, Mar. 30, 31, 1989

Various papers on image compression and automatic target recognition are presented. Individual topics addressed include: target cluster detection in cluttered SAR imagery, model-based target recognition using laser radar imagery, Smart Sensor front-end processor for feature extraction of images, object attitude estimation and tracking from a single video sensor, symmetry detection in human vision, analysis of high resolution aerial images for object detection, obscured object recognition for an ATR application, neural networks for adaptive shape tracking, statistical mechanics and pattern recognition, detection of cylinders in aerial range images, moving object tracking using local windows, new transform method for image data compression, quad-tree product vector quantization of images, predictive trellis encoding of imagery, reduced generalized chain code for contour description, compact architecture for a real-time vision system, use of human visibility functions in segmentation coding, color texture analysis and synthesis using Gibbs random fields.

Tescher, Andrew G.↗

Association of American Geographers, Remote Sensing Specialty Group Special Issue of Geocarto International

This special issue continues the precedence of the Association of American Geographers (AAG), Remote Sensing Specialty Group (RSSG) for publishing selected articles in Geocarto International as a by-product from the AAG annual meeting. As editors, we issued earlier this year, a solicitation for papers to be published in a special issue of Geocarto International that were presented in RSSG-sponsored sessions at the 2001 AAG annual meeting held in New York City on February 27-March 3. Although not an absolute requisite for publication, the vast majority of the papers in this special issue were presented at this year's AAG meeting in New York. Other articles in this issue that were not part of a paper or poster session at the 2001 AAG meeting are authored by RSSG members. Under the auspices of the RSSG, this special Geocarto International issue provides even more compelling evidence of the inextricable linkage between remote sensing and geography. The papers in this special issue fall into four general themes: 1) Urban Analysis and Techniques for Urban Analysis; 2) Land Use/Land Cover Analysis; 3) Fire Modeling Assessment; and 4) Techniques. The first four papers herein are concerned with the use of remote sensing for analysis of urban areas, and with use or development of techniques to better characterize urban areas using remote sensing data. As the lead paper in this grouping, Rashed et al., examine the usage of spectral mixture analysis (SMA) for analyzing satellite imagery of urban areas as opposed to more 'standard' methods of classification. Here SMA has been applied to IRS-1C satellite multispectral imagery to extract measures that better describe the 'anatomy' of the greater Cairo, Egypt region. Following this paper, Weng and Lo describe how Landsat TM data have been used to monitor land cover types and to estimate biomass parameters within an urban environment. The research reported in this paper applies an integrated GIS (Geographic Information System) approach for detecting urban growth and assessing its impact on biomass in the Zhujiang Delta, China. The remaining two papers in this first grouping deal with improved techniques for characterizing and analyzing urban areas using remote sensing data. Myint examines the use of texture analysis to better classify urban features. Here wavelet analysis has been employed to assist in deriving a more robust classification of the urban environment from high spatial resolution, multispectral aircraft data. Mesev provides insight on how through the modification of the standard maximum likelihood image analysis technique, population census data can be used enhance the overall robustness of urban image classification through the modification of the standard maximum likelihood image analysis technique.

Allen, Thomas R.↗

First-results from the Perseverance SHERLOC Investigation: Aqueous Alteration Processes and Implications for Organic Geochemistry in Jezero Crater, Mars

The Perseverance rover landed in Jezero crater, a site selected to fulfill the Mars-2020 mission goals of characterizing the geology of habitable environments and searching for signs of life while collecting samples for return to Earth [1]. Jezero hosted an open-basin lake during the late Noachian/early Hesperian (~3.7 Ga) [1-2], has units associated with the largest carbonate deposit identified on Mars [3-4], and has a well-preserved delta with clay and carbonate-bearing sediments, well-suited to preservation of organics [1,3-4]. Investigating the nature of organics and aqueous environments within their geologic con-text allows us to understand important aqueous processes and determine habitability within Jezero crater. Previous in situ landed measurements of organics could not resolve their spatial and mineralogical con-text [5-6]. Although Martian meteorites lack geological context, the spatial distribution of organic compounds in Martian meteorites have allowed recognition of an association between aqueous processes and organics [7-8]. Here, we show for the first time in-situ associations between carbonate-forming ultramafic alteration process, later stage aqueous sulfate and perchlorate formation, and organics on the Martian surface. Methodology and geological context: We use the Perseverance rover’s SHERLOC instrument (Scanning Habitable Environments with Raman and Lumines-ence of Organics and Chemicals), a deep-ultraviolet fluorescence and Raman scattering spectrometer capable of mapping the organic and mineral composition with a spatial resolution of 100 μm resolution to report the presence of organics and aqueously formed minerals at Jezero crater [9]. These spectral detections were compared with co-located images obtained with the autofocus context imager (ACI) and the WATSON camera for textural analysis [9]. As of writing, the Per-severance rover has abraded five targets that were measured with the SHERLOC instrument. The five targets are located in two different orbitally-identified geological units within the floor of Jezero crater; the Crater Floor Fractured Rough unit (CF-Fr) and the Séítah region within the Crater Floor Fractured 1 unit (CF-F1) [10]. In orbital infrared spectroscopic data, the CF-Fr unit is associated with pyroxene spectral signatures and minor alteration, while the Séítah region is associated with olivine and minor Mg-rich carbonates and clays [3-4,10]. Carbonation of ultramafic protolith recorded within Jezero crater: All scans of abraded targets within the Séítah region reveal strong peaks at 1080–1090 cm−1 consistent with carbonate and peak singlets or doublets at 820–840 cm−1 attributed to olivine (Fig. 1), consistent with orbital infrared observations. Our detailed micron-scale petrographic and spectroscopic evidence shows that these carbonates formed through carbonation of an ultramafic protolith. The supporting observations include: (1) Carbonate cation compositions match those of olivine, suggesting mixed Fe- and Mg-olivine gave rise to mixed Fe- and Mg-carbonates, similar to observations of ultramafic systems on Earth and within Martian meteorites [3-4,7-8]. (2) The ob-served carbonates co-occur with hydrated materials, gypsum, and potentially aqueously-formed phases, amorphous silicates and phosphate. (3) The spectral and textural variation of olivine and carbonate dominated zones and olivine-carbonate mixtures within both primary grains and interstitial zones are expected for carbonated ultramafic protoliths. (4) These mineral associations and textures closely resemble those observed within the ALH84001 and Nakhlite meteorites attributed to olivine carbonation on Mars [6-7]. Taken together, micron-scale SHERLOC documentation of these phenomena bridge previous orbital and meteorite observations and demonstrate in-situ regionally extensive (~106 km2) ultramafic alteration resulting in geo-logical deposition of carbonates. Furthermore, we observe that olivine carbonation was involved in preserving and possibly synthesizing organics, which makes this environment potentially habitable, as previously suggested in [1,3-4] (Fig. 1). Late-stage aqueous perchlorate and sulfate in Jezero crater: An abrasion target within the CF-Fr unit contains combinations of high intensity 950-955 cm−1 peaks and minor 1090-1095 cm−1 and 1150-1155 cm−1 peaks that are spectral fits to anhydrous perchlorate (Fig. 1). Some spectra show a combination of 950-955 cm−1 peaks with equally strong 1010-1020 cm−1 peaks, low intensity broad features at 1120 cm−1, and occasional broad 3450 cm−1 hydration (-OH) features, indicating a mixture of Ca-sulfate and perchlorate that is minimally hydrated (Fig. 1). The detections of per-chlorates within Jezero crater differ from previous measurements (e.g. Phoenix lander, Curiosity rover, Tissint meteorite [7,11]) because they are observed to be intimately related to aqueous processes including sulfate formation, they present as a secondary white void-fill occurring within the interior of the rock, and they are found to likely be Na-perchlorate. implications for their formation: Three different types of organics embedded within three different lithologies were observed within the abraded targets. Organics associated with low intensity ~340 nm fluorescence were widespread within targets with no apparent association to particular minerals (Fig. 1). Organics associated with ~305 nm and ~275 nm fluorescence correlated with sulfates within the Bellegarde target in the CF-Fr unit, while organics associated with high intensity ~340 nm fluorescence correlated with carbonate, phosphate, and amorphous silicate mixtures within the Garde target in the Séítah region (Fig. 1). Although assignment of fluorescence signatures to specific organic compounds is not conclusive, ~340 nm fluorescence is generally more consistent with 2-ring aromatic organics, ~275 nm fluorescence is more consistent with 1-ring aromatic organics, and ~305 nm fluorescence can be created by either 2- or 1-ring aromatics [12]. These observations indicate that the strongest fluorescence signatures interpreted as organics were found in materials associated with aqueous processes, i.e. sulfate- and carbonate-bearing materials, suggesting both brines and ultramafic carbonation aqueous environments were capable of preserving organics on ancient Mars. In Martian meteorites, simple aromatic organics proposed to have been synthesized through aqueous processes can be found within minerals associated with olivine carbonation and in spatial association with perchlorate and sulfate materials [7-8], similar to SHERLOC observations. Hence, we advance an abiotic aqueous synthesis origin for the organics although we cannot rule out the presence of organics from meteoritic in-fall or putative organic biosignatures. Detailed analyses will be required upon return of these materials to Earth.

E L Scheller↗

Interaction between dissolution and precipitation during olivine carbonation: Implications for CO 2 mineralization

Large-scale carbonation of olivine is considered a promising approach for in situ mineral carbonation, offering a permanent and stable method for CO 2 storage. A critical aspect of this process is understanding how dissolution and precipitation interact, as this could drive fracturing and enhance further reactions. In this study, we conducted carbonation experiments on olivine using CO 2 -saturated aqueous solutions of NaHCO 3 and NaCl. Two experimental setups were used: one representing an open geochemical system and the other a closed system, corresponding to reaction-limited and flow-limited scenarios, respectively. Further, post-reaction textural analysis using scanning electron microscopy (SEM) revealed surface coatings of reaction products in the closed system, while etch pits and etch channels were prevalent in the open system. Although no direct evidence of reaction-driven fracturing was observed, etch pits and etch channels may serve as initiation points for subcritical crack formation and growth, potentially maintaining permeability and exposing new unreacted surfaces. Using linear elastic fracture mechanics (LEFM) model, we estimate that microcracks could propagate under a pressure of 0.1 GPa if reaction products accumulate within the etch pits. Our findings offer new insights into the mechanisms governing olivine carbonation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phase Stability, Band Gap Tuning, and Rashba Splitting in Selenium-Alloyed Bournonite: CuPbSb(S 1– x Se x ) 3

Recently, bournonite (CuPbSbS 3 ) has been identified as a potential ferroelectric photovoltaic (PV) material with a 1.3 eV band gap, which falls in an appropriate range for single junction PV devices. Progress in applying bournonite has yielded several studies reporting successful thin-film processing, the most recent of which demonstrated a 2.65% power conversion efficiency for a bournonite-based PV device. In an effort to explore bournonite band gap engineering for PV and other prospective applications (e.g., thermoelectric, spintronic), we here consider the solid-state synthesis of selenium-alloyed bournonite, CuPbSb(S 1-x Se x ) 3 , across the full range of x (0.0 ≤ x ≤ 1.0), and report phase purity for 0.0 ≤ x ≤ 0.5. We characterize the crystal structure and band gap of the samples using X-ray diffraction and diffuse reflectance spectroscopy, determining a band gap decrease for single-phase samples from 1.25 eV at x = 0.0 to 1.06 eV at x = 0.5. Formation energies determined using dispersion corrected hybrid density functional theory (DFT) support experimental findings and are consistent with the stability (instability) of the x = 0.5 (x = 1.0) structure relative to starting materials. The computed band structures show a decreasing trend in the band gap with increasing x, again consistent with experiment, with the states at the conduction (valence) band minima (maxima) being principally derived from Pb (S/Se) states. Spin texture analysis and detailed comparison of spin splitting parameters show that Se-alloying modifies the band gap while maintaining Rashba spin splitting character within the electronic structure. Rashba splitting is most pronounced for the conduction band minimum along the Γ-X path in the Brillouin zone. Energy separation between spin states is maintained at ΔE~0.2 eV for the various Se contents, with σz as the spin direction. Furthermore, a smaller spin splitting occurs along Γ-Z (decreasing value with increasing x), with σ x as the spin direction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental and theoretical examination of shock-compressed copper through the fcc to bcc to melt phase transitions

Recent studies show a face-centered cubic (fcc) to body-centered cubic (bcc) transformation along the shock Hugoniot for several metals (i.e., Cu, Au, and Ag). Here, we combine laser-shock compression of Cu foils on nanosecond timescales with in situ x-ray diffraction (XRD) to examine the microstructural changes with stress. We study the fcc phase and the phase transition from fcc to bcc (pressures greater than 180 GPa). Textural analysis of the azimuthal intensities from the XRD images is consistent with transformation into the bcc phase through the Pitsch-distortion mechanism. We use embedded atom model molecular dynamics simulations to determine the stability of the bcc phase in pressure–temperature space. Finally, our results indicate that the bcc phase is stabilized only at high temperatures and remains stable at pressures greater than 500 GPa.

36 MATERIALS SCIENCE↗

XtalCAMP: a comprehensive program for the analysis and visualization of scanning Laue X-ray micro-/nanodiffraction data

XtalCAMP is a software package based on the MATLAB platform, which is suitable for, but not limited to, the analysis and visualization of scanning Laue X-ray micro-/nanodiffraction data. The main objective of the software is to provide complementary functionalities to the Laue indexing software packages used at several synchrotron beamlines. Here, the graphical user interfaces allow the easy analysis of characteristic microstructure features, including real-time intensity mapping for a quick examination of phase, grain and defect distribution, 2D color-coded mapping of microstructural properties from the output of other Laue indexing software, crystal orientation visualization, grain boundary characterization based on orientation/misorientation calculation, principal strain/stress analysis, and strain ellipsoid representation, as well as a series of additional toolkits. As an example, XtalCAMP is applied to the microstructural investigation of a solution-heat-treated Ni-based superalloy manufactured using a laser 3D-printing technique, and a deformed natural quartzite from Val Bregaglia in the Central Alps.

36 MATERIALS SCIENCE↗

POWTEX visits POWGEN

The high-intensity time-of-flight (TOF) neutron diffractometer POWTEX for powder and texture analysis is currently being built prior to operation in the eastern guide hall of the research reactor FRM II at Garching close to Munich, Germany. Because of the world-wide 3 He crisis in 2009, the authors promptly initiated the development of 3 He-free detector alternatives that are tailor-made for the requirements of large-area diffractometers. Herein is reported the 2017 enterprise to operate one mounting unit of the final POWTEX detector on the neutron powder diffractometer POWGEN at the Spallation Neutron Source located at Oak Ridge National Laboratory, USA. As a result, presented here are the first angular- and wavelength-dependent data from the POWTEX detector, unfortunately damaged by a 50 g shock but still operating, as well as the efforts made both to characterize the transport damage and to successfully recalibrate the voxel positions in order to yield nonetheless reliable measurements. Also described is the current data reduction process using the PowderReduceP2D algorithm implemented in Mantid [Arnold et al. (2014). Nucl. Instrum. Methods Phys. Res. A , 764 , 156–166]. The final part of the data treatment chain, namely a novel multi-dimensional refinement using a modified version of the GSAS-II software suite [Toby & Von Dreele (2013). J. Appl. Cryst. 46 , 544–549], is compared with a standard data treatment of the same event data conventionally reduced as TOF diffraction patterns and refined with the unmodified version of GSAS-II . This involves both determining the instrumental resolution parameters using POWGEN's powdered diamond standard sample and the refinement of a friendly-user sample, BaZn(NCN) 2 . Although each structural parameter on its own looks similar upon comparing the conventional (1D) and multi-dimensional (2D) treatments, also in terms of precision, a closer view shows small but possibly significant differences. For example, the somewhat suspicious proximity of the a and b lattice parameters of BaZn(NCN) 2 crystallizing in Pbca as resulting from the 1D refinement (0.008 Å) is five times less pronounced in the 2D refinement (0.038 Å). Similar features are found when comparing bond lengths and bond angles, e.g. the two N—C—N units are less differently bent in the 1D results (173 and 175°) than in the 2D results (167 and 173°). The results are of importance not only for POWTEX but also for other neutron TOF diffractometers with large-area detectors, like POWGEN at the SNS or the future DREAM beamline at the European Spallation Source.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗