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At least 181 records · Page 10

Adjoint methods for quasi-symmetry of vacuum fields on a surface

Adjoint methods can speed up stellarator optimisation by providing gradient information more efficiently compared with finite-difference evaluations. Adjoint methods are herein applied to vacuum magnetic fields, with objective functions targeting quasi-symmetry and a rotational transform value on a surface. Here to measure quasi-symmetry, a novel way of evaluating approximate flux coordinates on a single flux surface without the assumption of a neighbourhood of flux surfaces is proposed. The shape gradients obtained from the adjoint formalism are evaluated numerically and verified against finite-difference evaluations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Extending a transonic small disturbance code to treat swept vertical surfaces

A flexible-swept vertical surface capability has been developed and implemented within the CAP-TSD transonic small disturbance (TSD) code. The new capability required a modification to the TSD equation and a grid transformation for swept vertical surfaces. Modifications to the vertical surface boundary conditions allow it to be treated as a flexible surface. The new capability extends the range of problems which the code can treat. In order to assess the accuracy of the modifications, calculations were performed for a rectangular T-tail configuration and an AGARD T-tail configuration. Unsteady forces and moments are presented for the rectangular T-tail oscillating in yaw for a range of reduced frequencies. Comparisons are presented with linear theory and experiment. Steady and unsteady surface pressures are presented for the AGARD T-tail along with generalized aerodynamic forces. Comparisons are made with linear theory. The comparisons demonstrate the accuracy of the vertical surface modifications.

Gibbons, Michael D.↗

The evolution and growth of Al2O3 scales on beta-NiAl

The formation and growth of Al2O3 scales on (beta)-NiAl were studied using electron microscopy and other analytical techniques to gain an understanding of the oxidation properties of (beta)-NiAl and of alumina-forming alloys, in general. The transient and mature stages of oxidation were studied as well as the transformation stage during which the oxide scale transforms from metastable Al2O3 phases to the thermodynamically stable alpha-Al2O3 phase. The transient oxidation stages were studied at 800 deg C and for short times at 1100C. At 800C, the scales consist predominantly of delta-Al2O3 which forms by cation vacancy ordering in the defective spinel lattice of gamma-Al2O3. At 1100C, a fast-growth morphology of theta-Al2O3 forms as a surface layer over delta-Al2O3. For both oxidation temperatures, the scales are often epitaxially oriented with respect to the metal. The transient scales grow by outward cation diffusion as evidenced by surface growth morphologies. The transformation to alpha-Al2O3 occurs within 1 hour at 1100C by a nucleation and radial growth process. The large volume decrease associated with the transformation results in a highly strained alpha-Al2O3 microstructure. A change in scale growth mechanism from outward cation to inward anion diffusion allows transient surface morphologies to be smoothed by surface diffusion. The mature stage of oxidation involves the growth of an alpha-Al2O3 scale having the lacey morphology formed as a result of the gamma yields alpha transformation. Growth of the scale occurs by counterdiffusion along grain boundaries resulting in ridges formed by impingement of alpha-Al2O3 nuclei during the transformation stage. Also scale growth occurs by inward oxygen diffusion through healed cracks; the cracks result from transformation stresses. The measured growth rates of scales having the lacey morphology are an order of magnitude less than fine-grained alpha-Al2O3 scales. Metal orientations were found to have a large effect on oxide morpholoies during all stages of oxidation.

Doychak, J. K.↗

Integration of Omics into a New Comprehensive Rate Law for Competitive Terminal Electron-Accepting Processes in Reactive Transport Models: Application to N, Fe, S, and Contaminant Transformations in Stream and Wetland Sediments

Surface waters represent important sources of alternate energy and drinking water in the United States, and characterizing the biogeochemical processes that affect surface water quality is relevant to the DOE-BER mission. Sediment biogeochemical processes regulate the release of carbon (C), nutrients, and contaminants to surface waters and thus influence water quality. Sediment biogeochemical processes are dynamic and affected by the deposition and remobilization of solid material and changes in environmental conditions driven by water discharge variations. Wetlands are important natural filters of surface waters which may either trap, metabolize, or mobilize nutrients and contaminants. Despite their importance, biogeochemical processes regulating nutrient and contaminant release and C transformation in stream and wetland sediments cannot be predicted accurately by current mathematical models. These reactive transport models largely rely on detectable changes in geochemical conditions to activate metabolic processes, do not accurately account for the competition between microbial processes, and poorly constrain effects of hydrological perturbations on biogeochemical processes. In this BER-SBR exploratory project, metagenomic and geochemical signatures were combined to identify microbially-mediated redox processes in anaerobic stream and wetland sediments from the Savannah River Site (SRS, ANL SFA) and East Fork Poplar Creek (EFPC, ORNL SFA) that play important roles in C, uranium (U), and mercury (Hg) transformations. In addition, sediment incubations were conducted to examine the competition between anaerobic respiration processes Finally, new rate laws were developed for reactive transport models that rely on complementary metagenomic and geochemical signatures to identify the underlying anaerobic microbial processes in stream and wetland sediments, describe the competition between the dominant metabolic processes involved in nutrient release and U and Hg mobilization, and more accurately quantify carbon transformation and the response of microbial processes to changes in redox conditions associated with hydrological forcing. These rate laws were optimized in batch reactors with SRS wetland sediments, where iron and sulfate reduction dominate. Anaerobic carbon remineralization processes followed the expected thermodynamic sequence of microbial respiration with depth in both sediments, except that geochemical signals indicated that sulfate reduction was inactive in EFPC sediments and moderate in SRS wetland sediments. Estimates indicated that microbial iron reduction contributed to at least half of the production of reduced iron in these sediments. Incubations demonstrated that nitrate reduction, denitrification, and dissimilatory nitrate reduction to ammonium were active in the natural EFPC sediment and activated upon nitrate amendment in these nitrate-rich sediments. In turn, these processes were outcompeted by the addition of either iron oxides or sulfate as alternative terminal electron acceptors. Although geochemical products of sulfate reduction were not detected in the incubations, the abundance of sulfate reduction genes increased with depth in the sediment and was equally more pronounced in treatments amended with either iron oxides or sulfate. Simultaneously, anaerobic sulfide oxidizing bacteria coupling sulfide oxidation to DNRA (and not conventional denitrification) were apparently enriched over time, regardless of the treatments. These findings indicate that sulfate reduction is important in freshwater stream sediments and probably catalyzed by a cryptic sulfur cycle involving nitrogen species, in which the sulfur products from sulfate reduction are immediately removed by side reactions and not detectable by geochemical measurements alone. Similar experiments in SRS sediments, however, demonstrated little interaction between nitrogen and sulfur cycling microorganisms. Sulfate reduction was impacted by the addition of more thermodynamically favorable electron acceptors, suggesting either that iron-reducing microorganisms outcompeted sulfate-reducing microorganisms for organic substrate, depleting the stock of electron donor available for sulfate reduction, or that the cryptic sulfur cycle was shunted by the precipitation of FeS generated as a result of the abiotic reduction of iron oxides by dissolved sulfide. A diagnostic modeling exercise was conducted to further investigate the competition between terminal electron accepting processes. As conventional kinetic models typically do not account for cryptic cycles and used inaccurate formulations to describe competition between microbial communities, new metabolic rate laws were developed that explicitly express the electron acceptor-specific enzyme of each energetically favorable metabolic process based on gene abundance detected in the incubations. The model was tested with the sediment slurry incubation data to determine whether substrate competition could explain the decrease in sulfate reduction observed in the presence of iron oxide competitor. The model was able to reproduce geochemical concentrations really well in each treatment once the model was calibrated with the unamended control, suggesting that microbial competition was indeed driven by thermodynamic considerations. Overall, carbon remineralization processes and rates will be reproduced much more realistically with the new metabolic rate laws.

54 ENVIRONMENTAL SCIENCES↗

Robust Bonding Through Process Control

Process control has been proven to be the most reliable means of safeguarding the quality of adhesive bonds according to Federal Aviation Administration (FAA). A method for implementing process control for reduction in risk in a bonded joint fabrication process is demonstrated in this study using a selected bonding system. The stepwise method included risk analysis to identify defects with the highest impact and likelihood to occur, evaluation of various pre-bond surface analysis tools to monitor for the selected defects, and demonstration of the benefits of in-process monitoring utilizing threshold limits determined from bond performance tests. The bonded system selected for investigation was an aerospace carbon fiber epoxy composite substrate surface prepared with random orbital sanding using 180 grit aluminum oxide sand paper. A series of portable, pre-bond surface analysis tools were investigated for their ability to be used for in-line bond process control. Results and threshold limits are presented from roughness, ballistic water contact angle (WCA), color, gloss, and Fourier transform infrared spectroscopy (FTIR) surface analysis tools. Results demonstrated how in-process inspection methods can be used to ensure quality of a surface preparation for a selected bonding system. A framework is provided for implementation of bond process control for robust bonding.

Kutscha, Eileen O.↗

An integrated software suite for surface-based analyses of cerebral cortex

The authors describe and illustrate an integrated trio of software programs for carrying out surface-based analyses of cerebral cortex. The first component of this trio, SureFit (Surface Reconstruction by Filtering and Intensity Transformations), is used primarily for cortical segmentation, volume visualization, surface generation, and the mapping of functional neuroimaging data onto surfaces. The second component, Caret (Computerized Anatomical Reconstruction and Editing Tool Kit), provides a wide range of surface visualization and analysis options as well as capabilities for surface flattening, surface-based deformation, and other surface manipulations. The third component, SuMS (Surface Management System), is a database and associated user interface for surface-related data. It provides for efficient insertion, searching, and extraction of surface and volume data from the database.

NASA Discipline Neuroscience↗

Engineering surface segregation of perovskite oxide through wet exsolution for CO catalytic oxidation

Cation segregation occurring near the surface or interfaces of solid catalysts plays an important role in catalytic reactions. Unfortunately, the native surface of perovskite oxides is dominated by passivated A-site segregation, which severely hampers the catalytic activity and durability of the system. To address this issue, we present a wet exsolution method to reconstruct surface segregation in perovskite cobalt oxide. Here, under reduction etching treatment of glycol solution, inert surface Sr segregation was transformed into active Co 3 O 4 segregation. By varying the reaction time, we achieved differing coverage of the active Co 3 O 4 segregation on the La 0.5 Sr 0.5 CoO 3-δ (LSCO) perovskite oxide surface. This study reveals that CO oxidation activity exhibits a volcano-shaped dependence on the coverage of Co 3 O 4 segregation at the surface of a perovskite cobalt oxide. Furthermore, we find that a suitable coverage of Co 3 O 4 segregation can dramatically improve the catalytic activity of the perovskite catalyst by enhancing interface interactions. Co K-edge, Co L-edge, and O K-edge X-ray absorption spectra confirm that the synergistic effect optimizes the covalence of the metal-oxygen bond at the surface and interface. This work not only contributes to the design of perovskite-type catalysts, but also provides important insight into the relationship between surface segregation and catalytic activity.

36 MATERIALS SCIENCE↗

Reaction Chemistry at Discrete Organometallic Fragments on Black Phosphorus

Abstract Black phosphorus (bP) is a two‐dimensional van der Waals material unique in its potential to serve as a support for single‐site catalysts due to its similarity to molecular phosphines, ligands quintessential in homogeneous catalysis. However, there is a scarcity of synthetic methods to install single metal centers on the bP lattice. Here, we demonstrate the functionalization of bP nanosheets with molecular Re and Mo complexes. A suite of characterization techniques, including infrared, X‐ray photoelectron and X‐ray absorption spectroscopy as well as scanning transmission electron microscopy corroborate that the functionalized nanosheets contain a high density of discrete metal centers directly bound to the bP surface. Moreover, the supported metal centers are chemically accessible and can undergo ligand exchange transformations without detaching from the surface. The steric and electronic properties of bP as a ligand are estimated with respect to molecular phosphines. Sterically, bP resembles tri(tolyl)phosphine when monodentate to a metal center, and bis(diphenylphosphino)propane when bidentate, whereas electronically bP is a σ‐donor as strong as a trialkyl phosphine. This work is foundational in elucidating the nature of black phosphorus as a ligand and underscores the viability of using bP as a basis for single‐site catalysts.

Mitra, Kendahl L. Walz↗

Reaction Chemistry at Discrete Organometallic Fragments on Black Phosphorus

Abstract Black phosphorus (bP) is a two‐dimensional van der Waals material unique in its potential to serve as a support for single‐site catalysts due to its similarity to molecular phosphines, ligands quintessential in homogeneous catalysis. However, there is a scarcity of synthetic methods to install single metal centers on the bP lattice. Here, we demonstrate the functionalization of bP nanosheets with molecular Re and Mo complexes. A suite of characterization techniques, including infrared, X‐ray photoelectron and X‐ray absorption spectroscopy as well as scanning transmission electron microscopy corroborate that the functionalized nanosheets contain a high density of discrete metal centers directly bound to the bP surface. Moreover, the supported metal centers are chemically accessible and can undergo ligand exchange transformations without detaching from the surface. The steric and electronic properties of bP as a ligand are estimated with respect to molecular phosphines. Sterically, bP resembles tri(tolyl)phosphine when monodentate to a metal center, and bis(diphenylphosphino)propane when bidentate, whereas electronically bP is a σ‐donor as strong as a trialkyl phosphine. This work is foundational in elucidating the nature of black phosphorus as a ligand and underscores the viability of using bP as a basis for single‐site catalysts.

Chemistry↗

Is Ishtar Terra a thickened basaltic crust?

The mountain belts of Ishtar Terra and the surrounding tesserae are interpreted as compressional regions. The gravity and surface topography of western Ishtar Terra suggest a thick crust of 60-110 km that results from crustal thickening through tectonic processes. Underthrusting was proposed for the regions along Danu Montes and Itzpapalotl Tessera. Crustal thickening was suggested for the entire Ishtar Terra. In this study, three lithospheric models with total thicknesses of 40.75 and 120 km and initial crustal thicknesses of 3.9 and 18 km are examined. These models could be produced by partial melting and chemical differentiation in the upper mantle of a colder, an Earth-like, and a hotter Venus having temperatures of respectively 1300 C, 1400 C, and 1500 C at the base of their thermal boundary layers associated with mantle convection. The effects of basalt-granulite-eclogite transformation (BGET) on the surface topography of a thickening basaltic crust is investigated adopting the experimental phase diagram and density variations through the phase transformation.

Arkani-Hamed, Jafar↗

Experimental investigations of Critical Heat Flux re-occurrence on post-CHF surfaces

Under the extreme environments of light water reactors, the cladding materials demonstrate evolutionary transformations in terms of material compositions, surface morphologies, and thermal-physical properties. This study investigates how the temperature overshooting of Critical Heat Flux (CHF) affects the re-occurrence of CHF on the post-CHF surfaces. Experimental results reveal that the CHF difference between as-received and post-CHF surfaces can be significant, which depends on materials. CHF is enhanced on post-CHF Stainless Steel (SS 316) specimens while it deteriorates on post-CHF Inconel-600 specimens. In comparison with the as-received surfaces, the post-CHF surface of SS 316 is more hydrophobic, while Inconel 600 is more hydrophilic. The scanning electron microscope micrographs of post-CHF surfaces show that surface morphologies that are structured by oxide crystals are formed on SS 316 samples but not on Inconel 600 samples. The physical rationale behind the CHF difference could be boiling heat transfer conjugated with thermal-physical proprieties of investigated surface materials and surface morphologies features. In conclusion, the results imply that it is indispensable to bookkeep the evolutionary changes of cladding surface materials, especially for cladding candidates of Accident Tolerant Fuel since operation histories can leave footprints on cladding surfaces, thus resulting in CHF re-occurrence differences.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Surface inspection using FTIR spectroscopy

The use of reflectance Fourier transform infrared (FTIR) spectroscopy as a tool for surface inspection is described. Laboratory instruments and portable instruments can support remote sensing probes that can map chemical contaminants on surfaces with detection limits under the best of conditions in the sub-nanometer range, i.e.. near absolute cleanliness, excellent performance in the sub-micrometer range, and useful performance for films tens of microns thick. Examples of discovering and quantifying contamination such as mineral oils and greases, vegetable oils, and silicone oils on aluminum foil, galvanized sheet steel, smooth aluminum tubing, and sandblasted 7075 aluminum alloy and D6AC steel. The ability to map in time and space the distribution of oil stains on metals is demonstrated. Techniques associated with quantitatively applying oils to metals, subsequently verifying the application, and non-linear relationships between reflectance and the quantity oil are described.

Powell, G. L.↗

A Time-Frequency Analysis of the Effects of Solar Activities on Tropospheric Thermodynamics

Whether the Sun has significantly influenced the climate during the last century has been under extensive debates for almost two decades. Since the solar irradiance varies very little in a solar cycle, it is puzzling that some geophysical parameters show proportionally large variations which appear to be responding to the solar cycles. For example, variation in low altitude clouds is shown correlated with solar cycle, and the onset of Forbush decrease is shown correlated with the reduction of the vorticity area index. A possible sun-climate connection is that galactic cosmic rays modulated by solar activities influence cloud formation. In this paper, we apply wavelet transform to satellite and surface data to examine this hypothesis. Data analyzed include the time series for solar irradiance, sunspots, UV index, temperature, cloud coverage, and neutron counter measurements. The interactions among the elements in the Earth System under the external and internal forcings give out very complex signals.The periodicity of the forcings or signals could range widely. Since wavelet transforms can analyze multi-scale phenomena that are both localized in frequency and time, it is a very useful technique for detecting, understanding and monitoring climate changes.

Kiang, Richard K.↗

The Earth in Living Color - NASA’s Surface Biology and Geology Designated Observable

The Surface Biology and Geology (SBG) Designated Observable will transform our understanding of the global land surface, inland and coastal aquatic ecosystems through visible-to-shortwave infra-red imaging (VSWIR) spectroscopy and thermal infra-red (TIR) imaging. SBG is one of four high-priority observables recommended in the 2017 NASA Earth Science Decadal Survey t o address science questions on vegetation and aquatic ecosystem health, snow-cover dynamics, volcanic activity, and minerology. With a planned launch readiness date of 2028, SBG is currently in Pre-Phase A, with Level 1 requirements being developed for a two-spacecraft architecture, including an additional constellation pathfinder. The recommended architecture emerged from an extensive study (2018-2021) that engaged the research and applications community to consider the science questions and measurement objectives of the Decadal Survey. A Science and Applications Traceability Matrix was used as a basis for scoring candidate architectures, with inputs from four working groups that covered algorithms, applications, calibration and validation, and modeling. Two pathfinder studies, Modeling End-to-End Traceability in support of SBG (MEET-SBG) and Space-based Imaging Spectroscopy and Thermal pathfindER (SISTER) are providing pre-launch modeling tools and data for algorithm development to support science value trades. The architecture consists of one spacecraft hosting a wide-swath VSWIR imaging spectrometer providing 30-m ground-sample distance (GSD), a spectral range of 380-2500 nm (at 10 nm resolution), 16-day revisit with 400 signal-to-noise for VNIR and 250 for SWIR (at 25% reflectance). A separate spacecraft will host a wide swath thermal imager, with five to seven bands placed between 4-12 μm), with 60-m (GSD), 3- day revisit, and 0.2K noise-equivalent differential temperature (NeDT). A VNIR compact camera will be hosted on the TIR spacecraft to enable coincident TIR and VNIR observations. A constellation pathfinder will evaluate options for enabling VSWIR mission continuity using Small Sats or data buys. Partnerships with international space agencies contribute technology as well as improvements to temporal revisit. SBG, when launched, will be the first dedicated mission collecting the full spectra of the Earth’s ‘living color’ and will play a critical role in NASA’s Earth System Observatory.

David S Schimel↗

New Mechanistic and Reaction Pathway Insights for Oxidative Coupling of Methane (OCM) over Supported Na 2 WO 4 /SiO 2 Catalysts

Abstract The complex structure of the catalytic active phase, and surface‐gas reaction networks have hindered understanding of the oxidative coupling of methane (OCM) reaction mechanism by supported Na 2 WO 4 /SiO 2 catalysts. The present study demonstrates, with the aid of in situ Raman spectroscopy and chemical probe (H 2 ‐TPR, TAP and steady‐state kinetics) experiments, that the long speculated crystalline Na 2 WO 4 active phase is unstable and melts under OCM reaction conditions, partially transforming to thermally stable surface Na‐WO x sites. Kinetic analysis via temporal analysis of products (TAP) and steady‐state OCM reaction studies demonstrate that ( i ) surface Na‐WO x sites are responsible for selectively activating CH 4 to C 2 H x and over‐oxidizing CH y to CO and ( ii ) molten Na 2 WO 4 phase is mainly responsible for over‐oxidation of CH 4 to CO 2 and also assists in oxidative dehydrogenation of C 2 H 6 to C 2 H 4 . These new insights reveal the nature of catalytic active sites and resolve the OCM reaction mechanism over supported Na 2 WO 4 /SiO 2 catalysts.

Sourav, Sagar↗

New Mechanistic and Reaction Pathway Insights for Oxidative Coupling of Methane (OCM) over Supported Na 2 WO 4 /SiO 2 Catalysts

Abstract The complex structure of the catalytic active phase, and surface‐gas reaction networks have hindered understanding of the oxidative coupling of methane (OCM) reaction mechanism by supported Na 2 WO 4 /SiO 2 catalysts. The present study demonstrates, with the aid of in situ Raman spectroscopy and chemical probe (H 2 ‐TPR, TAP and steady‐state kinetics) experiments, that the long speculated crystalline Na 2 WO 4 active phase is unstable and melts under OCM reaction conditions, partially transforming to thermally stable surface Na‐WO x sites. Kinetic analysis via temporal analysis of products (TAP) and steady‐state OCM reaction studies demonstrate that ( i ) surface Na‐WO x sites are responsible for selectively activating CH 4 to C 2 H x and over‐oxidizing CH y to CO and ( ii ) molten Na 2 WO 4 phase is mainly responsible for over‐oxidation of CH 4 to CO 2 and also assists in oxidative dehydrogenation of C 2 H 6 to C 2 H 4 . These new insights reveal the nature of catalytic active sites and resolve the OCM reaction mechanism over supported Na 2 WO 4 /SiO 2 catalysts.

Sourav, Sagar↗

Orbital velocities induced by surface waves

During the third intensive observational period of the Surface Wave Dynamics Experiment (SWADE), an aircraft-based experiment was conducted on 5 March 1991 by deploying slow-fall airborne expendable current profilers (AXCPs) and airborne expendable bathythermographs (AXBTs) during a scanning radar altimeter (SRA) flight on the NASA NP-3A research aircraft. As the Gulf Stream (GS) moved into the SWADE domain in late February, maximum upper-layer currents of 1.98 m/s were observed in the core of the baroclinic jet where the vertical current shears were O(10(exp -2)/s). The SRA concurrently measured the sea surface topography, which was transformed into two-dimensional directional wave spectra at 5-6-km intervals along the flight tracks. The wave spectra indicated a local wave field with wavelengths of 40-60 m propagating southward between 120 deg and 180 deg, and a northward-moving swell field from 300 deg to 70 deg associated with significant wave heights of 2-4 m. As the AXCP descended through the upper ocean, the profiler sensed orbital velocity amplitudes of 0.2-0.5 m/s due to low-frequency surface waves. These orbital velocities were isolated by fitting the observed current profiles to the three-layer model based on a monochromatic surface wave, including the steady and current shear terms within each layer. The depth-integrated differences between the observed and modeled velocity profiles were typically less than 3 cm/s. For 17 of the 21 AXCP drop sites, the rms orbital velocity amplitudes, estimated by integrating the wave spectra over direction and frequency, were correlated at a level of 0.61 with those derived from the current profiles. The direction of wave propagation inferred from the AXCP-derived orbital velocities was in the same direction observed by the SRA. These mean wave directions were highly correlated (0.87) and differed only by about 5 deg.

Shay, Lynn K.↗