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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Microscale mechanical modeling of deformable geomaterials with dynamic contacts based on the numerical manifold method

Abstract Micromechanical modeling of geomaterials is challenging because of the complex geometry of discontinuities and potentially large number of deformable material bodies that contact each other dynamically. In this study, we have developed a numerical approach for micromechanical analysis of deformable geomaterials with dynamic contacts. In our approach, we detect contacts among multiple blocks with arbitrary shapes, enforce different contact constraints for three different contact states of separated, bonded, and sliding, and iterate within each time step to ensure convergence of contact states. With these features, we are able to simulate the dynamic contact evolution at the microscale for realistic geomaterials having arbitrary shapes of grains and interfaces. We demonstrate the capability with several examples, including a rough fracture with different geometric surface asperity characteristics, settling of clay aggregates, compaction of a loosely packed sand, and failure of an intact marble sample. With our model, we are able to accurately analyze (1) large displacements and/or deformation, (2) the process of high stress accumulated at contact areas, (3) the failure of a mineral cemented rock samples under high stress, and (4) post-failure fragmentation. The analysis highlights the importance of accurately capturing (1) the sequential evolution of geomaterials responding to stress as motion, deformation, and high stress; (2) large geometric features outside the norms (such as large asperities and sharp corners) as such features can dominate the micromechanical behavior; and (3) different mechanical behavior between loosely packed and tightly packed granular systems.

58 GEOSCIENCES↗
DOE OSTI2018

Sequential chemical separations and multiple ion counting ICP-MS for 241 Pu– 241 Am– 237 Np dating of environmental collections on a single aliquot

In this study, we have developed a combined sequential chemical separation procedure and multiple ion counting ICP-MS measurement method for isotopic measurements of Am in environmental samples. This, in conjunction with established resin bead TIMS measurements for Pu and Np, allows us to measure long-lived Pu–Np–Am nuclides in environmental samples on a single solution aliquot. This single aliquot method reduces time lines and maximizes sample utility for the measurements, improving sensitivity, precision, and accuracy over prior methods. Finally, we have evaluated this new method with environmental reference materials and have obtained accurate results on samples with > 3E6 atoms 241 Am.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2018

Precursor and Neutral Loss Scans in an RF Scanning Linear Quadrupole Ion Trap

Methodology for performing precursor and neutral loss scans in an RF scanning linear quadrupole ion trap is described and compared to the unconventional ac frequency scan technique. In the RF scanning variant, precursor ions are mass selectively excited by a fixed frequency resonance excitation signal at low Mathieu q while the RF amplitude is ramped linearly to pass ions through the point of excitation such that the excited ion’s m/z varies linearly with time. Ironically, a nonlinear ac frequency scan is still required for ejection of the product ions since their frequencies vary nonlinearly with the linearly varying RF amplitude. In the case of the precursor scan, the ejection frequency must be scanned so that it is fixed on a product ion m/z throughout the RF scan, whereas in the neutral loss scan, it must be scanned to maintain a constant mass offset from the excited precursor ions. Both simultaneous and sequential permutation scans are possible; only the former are demonstrated here. The scans described are performed on a variety of samples using different ionization sources: protonated amphetamine ions generated by nanoelectrospray ionization (nESI), explosives ionized by low-temperature plasma (LTP), and chemical warfare agent simulants sampled from a surface and analyzed with swab touch spray (TS). We lastly conclude that the ac frequency scan variant of these MS/MS scans is preferred due to electronic simplicity. In an accompanying manuscript, we thus describe the implementation of orthogonal double resonance precursor and neutral loss scans on the Mini 12 using constant RF voltage. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Direct Fabrication of Vertically Stacked Double Barrier Tunnel Junctions Based on Graphene and h-BN

Direct manufacturing of two-dimensional material-based double barrier (DB) tunnel junctions, based on a lithography-free approach was developed. Graphene/h-BN/Graphene/h-BN/Graphene devices were deposited on Si/SiO2 substrates by employing a plasma enhanced chemical vapor deposition technique in a sequential manner. DB tunneling junctions with varying barrier widths (by varying the thickness of the second graphene layer) were studied. Samples were characterized using Raman, Atomic Force Microscopy and X-ray photoemission spectroscopy. The I–V characteristics of tunneling current showed resonant tunneling behavior at room temperature with a negative differential conductance. The behavior could be explained with quantum mechanical double barrier tunneling model in which analytic solutions to Schrödinger’s equation were obtained in each region of the system. Resonances in transmission probability coefficient for varying barrier widths were evaluated and compared with the experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A review of rare earth elements and yttrium in coal ash: Content, modes of occurrences, combustion behavior, and extraction methods

Rare earth elements and yttrium (REY) have attracted considerable attention over the last decade because of their vital roles in clean energy, consumer product, national defense and security applications, among other uses. Due to the retention of REY during coal burning, coal combustion ash is considered as potential alternative sources for REY. Understanding the content, speciation, retention and/or transformation behavior of REY during coal combustion not only expands our knowledge of the combustion behavior of the trace elements in coal, but also provides basis for modeling REY partitioning during coal combustion and for developing economically viable REY recovery technologies. This review makes a critical summary of recent progress in the study of REY in coal ash. The contents and the extraction potentials of REY in coal ash derived from 15 major coal-producing countries worldwide were summarized and evaluated. Various analytical methods for determining REY bulk contents and speciation, together with the solid sample pretreatment, analytical accuracy and precision, advantages and disadvantages were summarized and compared. Modern analytical approaches combined indirect methods (e.g., sequential extraction) shed light on the physical distribution, mineralogy, and the chemical state of REY in coal ash. Three types of REY occurrences in coal ash, including Si-Al glassy association, discrete minerals or compounds, and organic association (bound with unburned carbon) were defined in the review. The glassy association can be further divided into REY minerals closely bound to glass phases and dispersed throughout the glassy structure. REY partitioning in various emission streams, the size distribution, and their enrichment behavior in coal ash were discussed. Additionally, thermal behavior and transformation of various REY forms in coal during combustion process, including organic-associated REY, REY phosphates, REY carbonates, clay-bound REY and among others were summarized. Two possible retention mechanisms of REY by aluminosilicate glass at boiler temperature were proposed: the incorporation of the individual REY phases into the glass as inclusions and the diffusion of REY phases throughout Si-Al glass structures in the melting process. Feed coal mineral types, mineral-mineral associations, boiler conditions, and other factors control the retention process. After coal combustion, the speciation of REY in fly ash may be modified by the reactions of REY phases with flue gas components. Further, an overview of REY transformation mechanisms during coal combustion was deeply discussed. Finally, current extraction techniques for REY recovery from coal combustion ash were introduced. Future outlooks and research problems were also identified.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Unsupervised Segmentation and Clustering Workflow for Efficient Processing of 4D-STEM and 5D-STEM Data

Four-dimensional scanning transmission electron microscopy (4D-STEM) enables mapping of diffraction information with nanometer-scale spatial resolution, offering detailed insight into local structure, orientation, and strain. However, as data dimensionality and sampling density increase, particularly for in situ scanning diffraction experiments (5D-STEM), robust segmentation of structurally consistent behavior across sequential measurements becomes essential for efficient and physically meaningful analysis. Here, we introduce a clustering framework that identifies crystallographically distinct domains from 4D-STEM datasets. By using local diffraction-pattern similarity as a metric, the method extracts closed contours delineating spatially contiguous regions. This approach produces cluster-averaged diffraction patterns that improve signal quality while reducing data volume by orders of magnitude, enabling rapid and accurate orientation, phase, and strain mapping. We demonstrate the applicability of this approach to in situ liquid-cell 4D-STEM data of gold nanoparticle growth. Our method provides a scalable and generalizable route for spatially coherent segmentation, data compression, and quantitative structure–strain mapping across diverse 4D-STEM modalities. The full analysis code and example workflows are publicly available to support reproducibility and reuse.

4D-STEM↗
NASA NTRS1972

Investigation of a possible solar-wind darkening of the lunar surface by photoelectron spectroscopy.

Detailed sequential study by photoelectron spectroscopy of the change in valence states of iron in Fe2O3, Fe3O4, FeO, and Fe foil samples, showing that chemical reduction does take place on the sample surface when argon ion bombardment occurs. These spectra give evidence that, after prolonged ion bombardment, the surface of all four samples consisted predominantly of iron in the metallic state. Argon ion sputtering of 15 silicate and oxide samples under similar experimental conditions produced surface darkening only in samples containing iron. Monitoring of the photoelectron peak of carbon during the experiment indicates that ion-bombardment darkening is not due to the buildup of hydrocarbon surface contaminants in the oil-free high-vacuum system used by the authors. On the basis of these studies, it is concluded that solar-wind bombardment should be included as one of the possible mechanisms for producing darkening of the lunar surface.

Yin, L. I.↗
NASA NTRS1981

Evaluation of the procedure 1A component of the 1980 US/Canada wheat and barley exploratory experiment

Several techniques which use clusters generated by a new clustering algorithm, CLASSY, are proposed as alternatives to random sampling to obtain greater precision in crop proportion estimation: (1) Proportional Allocation/relative count estimator (PA/RCE) uses proportional allocation of dots to clusters on the basis of cluster size and a relative count cluster level estimate; (2) Proportional Allocation/Bayes Estimator (PA/BE) uses proportional allocation of dots to clusters and a Bayesian cluster-level estimate; and (3) Bayes Sequential Allocation/Bayesian Estimator (BSA/BE) uses sequential allocation of dots to clusters and a Bayesian cluster level estimate. Clustering in an effective method in making proportion estimates. It is estimated that, to obtain the same precision with random sampling as obtained by the proportional sampling of 50 dots with an unbiased estimator, samples of 85 or 166 would need to be taken if dot sets with AI labels (integrated procedure) or ground truth labels, respectively were input. Dot reallocation provides dot sets that are unbiased. It is recommended that these proportion estimation techniques are maintained, particularly the PA/BE because it provides the greatest precision.

Chapman, G. M.↗
DOE OSTI2015

Morphology-dependent phase transformation of y-Al2O3

The phase transformations of platelet- and rod-shaped ?-Al2O3 were investigated and compared to that of a commercial sample by XRD, BET surface area measurements, Transmission Electron Microscopy (TEM), solid state 27Al-NMR and ethanol temperature programmed desorption (TPD) after sequential annealing in air up to 1100 oC. After annealing at 1100 oC, commercial ?-Al2O3 mostly transformed into a-Al2O3 with drastic surface area reduction (from 200 m2/g to 25 m2/g). Interestingly, platelet- and rod-shaped ?-Al2O3 which showed exactly the same XRD patterns transformed into different phases upon the high temperature calcinations. Platelet-shaped ?-Al2O3 transformed into ?-phase while the rod-shaped ?-Al2O3 transformed into the d-phase and not to the a-polymorph. Both platelet- and rod-shaped aluminas retained significantly higher surface area (~60 m2/g) than the commercial one after the same treatment at 1100 oC. These results suggest that the phase transformation in ?-Al2O3 is strongly affected by not only the crystal structure of the starting material, but its morphology as well. Ethanol TPD from platelet- and rod-shaped alumina after 1100 oC annealing, showed significantly different desorption profiles which suggest different surface characteristics even though they had almost the same surface areas. These different phase transformations were also supported by solid state 27Al-NMR. After 1100oC annealing commercial alumina showed the presence of mostly octahedral Al3+ ions, but the other two samples displayed even higher number of tetrahedral Al3+ ions than the initial ?-Al2O3. Morphological changes were also confirmed by TEM. All these results consistently suggest the morphology-dependent phase transformations of ?-Al2O3 and the improved thermal stability of platelet- and rod- shaped ?-Al2O3 in comparison to a commercial ?-Al2O3. J.Sz. acknowledges the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Division of Chemical Sciences, Geosciences & Biosciences for the support of this work.

Lee, Jaekyoung↗
DOE OSTI2019

Chapter 11: Combined and Sequential Accelerated Stress Testing for Derisking Photovoltaic Modules

Application of stress factors in the combinations and sequences as they occur in the natural environment better reproduces failures seen in the field. Further, choice of sample type for testing that best represents the final product is most likely to yield relevant results. Tests meeting these criteria are more likely to discover potential weaknesses that are not a priori known in new module designs, reduce risk, accelerate time to market, achieve bankability and reduce costly overdesign.

14 SOLAR ENERGY↗
DOE OSTI2016

Lattice modification in KTiOPO{sub 4} by hydrogen and helium sequentially implantation in submicrometer depth

We investigated lattice modification and its physical mechanism in H and He co-implanted, z-cut potassium titanyl phosphate (KTiOPO{sub 4}). The samples were implanted with 110 keV H and 190 keV He, both to a fluence of 4 × 10{sup 16 }cm{sup −2}, at room temperature. Rutherford backscattering/channeling, high-resolution x-ray diffraction, and transmission electron microscopy were used to examine the implantation-induced structural changes and strain. Experimental and simulated x-ray diffraction results show that the strain in the implanted KTiOPO{sub 4} crystal is caused by interstitial atoms. The strain and stress are anisotropic and depend on the crystal's orientation. Transmission electron microscopy studies indicate that ion implantation produces many dislocations in the as-implanted samples. Annealing can induce ion aggregation to form nanobubbles, but plastic deformation and ion out-diffusion prevent the KTiOPO{sub 4} surface from blistering.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Investigation of mounting discrete chip components for hybrid microelectronic applications.

In the assembly of hybrid microcircuits, passive and active discrete chip components are attached by epoxy cements and by solders. This study was initiated to determine the integrity of such attachments. Alumina substrates were subjected to a group of thermal and mechanical test environments defined by test methods in MIL-STD-883. Lot samples of substrates with assembly variations were subjected to separately applied testing and to serial testing. These test methods were applied sequentially to the same lot of substrates. Epoxy cements were generally satisfactory with respect to separate tests, although sequential tests severely degraded epoxy bond strengths of all types. Bond strengths to unglazed substrates were slightly superior to those of the same components on glazed types. Solder joints were vulnerable to catastrophic failure in several environments, especially temperature cycling and thermal shock. Vibration and impact shock also produced solder joint failures.

Caruso, S. V.↗
NASA NTRS2017

Comparison of EKF and UKF for Robotic Missions to Mars

The batched Kalman lter works well for a wide variety of orbit determination scenarios but requires linearized approximations to the underlying dynamical system. Furthermore, implementation depends on the computation of partial derivatives for all measurements and parameters used in the lter, a non-trivial task even when analytical derivations are possible. To address these limitations, many extensions and modi - cations to the linear Kalman lter have been proposed over the years since Kalman's initial publication. Our investigation examines two popular variants of the Kalman lter, namely the Extended Kalman Filter (EKF) and Unscented Kalman Filter (UKF), within the context of spacecraft missions to Mars. The EKF relies on the same mathematical basis as the classic version of the lter, however it sequentially updates the linearization as the ltering process is conducted. In contrast, the UKF is built upon the unscented transform which samples the nearby solution space and numerically propagates perturbed trajectories as part of the update / estimation process. We assess the performance of the ltering algorithms under a variety of mission scenarios with the goal of establishing decision criteria for which implementation to use under di ering circumstances.

Ely, Todd↗
DOE OSTI2018

A Novel Approach for Monitoring Plastic Flow Localization during In-Situ Sem Testing of Small-Scale Samples

A novel method is proposed for monitoring the plastic flow localization during in-situ scanning electron microscopy (SEM) testing of small-scale AISI 316 L stainless steel. Stress-strain behavior of the material was obtained using a hybrid numerical-experimental (HNE) approach. By repeatedly illustrating each pair of sequentially taken SEM surface images throughout the deformation history in alternating order in form of a video, location of the material points which are not moving during the deformation can be detected. At the initial stages of deformation these points are located on the geometrical symmetry line of the test sample, however; when uniform straining limit of the material is reached, the locations of the stationary material points reveal the plastic localization regions. The current results clearly prove the feasibility of the presented method in monitoring primary plastic localization events through in-situ SEM tensile testing.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Chemical evolution of groundwater in the Wilcox aquifer of the northern Gulf Coastal Plain, USA

The Wilcox aquifer is a major groundwater resource in the northern Gulf Coastal Plain (lower Mississippi Valley) of the USA, yet the processes controlling water chemistry in this clastic aquifer have received relatively little attention. The current study combines analyses of solutes and stable isotopes in groundwater, petrography of core samples, and geochemical modeling to identify plausible reactions along a regional flow path ∼300 km long. The hydrochemical facies evolves from Ca-HCO{sub 3} upgradient to Na-HCO{sub 3} downgradient, with a sequential zonation of terminal electron-accepting processes from Fe(III) reduction through SO{sub 4}{sup 2−} reduction to methanogenesis. In particular, decreasing SO{sub 4}{sup 2−} and increasing δ{sup 34}S of SO{sub 4}{sup 2−} along the flow path, as well as observations of authigenic pyrite in core samples, provide evidence of SO{sub 4}{sup 2−} reduction. Values of δ{sup 13}C in groundwater suggest that dissolved inorganic carbon is contributed both by oxidation of sedimentary organic matter and calcite dissolution. Inverse modeling identified multiple plausible sets of reactions between sampled wells, which typically involved cation exchange, pyrite precipitation, CH{sub 2}O oxidation, and dissolution of amorphous Fe(OH){sub 3}, calcite, or siderite. These reactions are consistent with processes identified in previous studies of Atlantic Coastal Plain aquifers. Contrasts in groundwater chemistry between the Wilcox and the underlying McNairy and overlying Claiborne aquifers indicate that confining units are relatively effective in limiting cross-formational flow, but localized cross-formational mixing could occur via fault zones. Consequently, increased pumping in the vicinity of fault zones could facilitate upward movement of saline water into the Wilcox.

58 GEOSCIENCES↗
NASA NTRS2012

A Practical Methodology for Quantifying Random and Systematic Components of Unexplained Variance in a Wind Tunnel

This paper documents a check standard wind tunnel test conducted in the Langley 0.3-Meter Transonic Cryogenic Tunnel (0.3M TCT) that was designed and analyzed using the Modern Design of Experiments (MDOE). The test designed to partition the unexplained variance of typical wind tunnel data samples into two constituent components, one attributable to ordinary random error, and one attributable to systematic error induced by covariate effects. Covariate effects in wind tunnel testing are discussed, with examples. The impact of systematic (non-random) unexplained variance on the statistical independence of sequential measurements is reviewed. The corresponding correlation among experimental errors is discussed, as is the impact of such correlation on experimental results generally. The specific experiment documented herein was organized as a formal test for the presence of unexplained variance in representative samples of wind tunnel data, in order to quantify the frequency with which such systematic error was detected, and its magnitude relative to ordinary random error. Levels of systematic and random error reported here are representative of those quantified in other facilities, as cited in the references.

Deloach, Richard↗
NASA NTRS2019

MultiLayer Clustered Sampling (MLCS) technique for near-earth asteroid impact hazard assessment

Because of planetary encounters, the motion of near-Earth asteroids is chaotic and small differences in the initial conditions tend to diverge exponentially. Linear approximations for propagating orbital uncertainties can lead to inaccurate estimates of the probability of an Earth collision. We present a novel fully nonlinear strategy for estimating the probability of an asteroid impact using sequential Monte Carlo layers. The method first explores a low-resolution layer to locate potentially relevant regions. Then, we conduct localized searches on deeper layers with higher resolution. The method retains the accuracy of brute-force Monte Carlo sampling while reducing the computational cost by only sampling relevant regions.

Farnocchia, Davide↗
NASA NTRS1972

Some analyses of the variability of atmospheric parameters at low altitudes significant for aircraft propagation

The results are discussed in terms of the meteorological data acquisition procedures necessary to monitor changes in atmospheric parameters to support aircraft flyover noise measurements and aircraft noise certification programs. The data consisted primarily of sequential radiosonde ascents to approximately 5000 ft spaced some half-hour to an hour apart. The weather covered by the data sample was predominantly that of clear skies and calm-to-light surface winds associated with well established high-pressure systems. Under these restrictive weather conditions, the study shows that the largest variabilities in temperature and humidity occur during the early morning hours resulting from the effects of direct solar heating of the surface. These rapid changes apparently do not penetrate above approximately 1000 ft. In the late morning hours, the atmosphere appears to become stabilized so that net changes in temperatures and relative humidities at all levels are insignificant even in time periods exceeding three hours. By noon, however, turbulent fluctuations in surface wind and the wind speed itself increase to levels which would make the microphone recording of acoustic signals in the field difficult.

Chang, D. T.↗