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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Effect of layer thickness on structural, morphological and superconducting properties of Nb 3 Sn films fabricated by multilayer sequential sputtering

Superconducting Nb3Sn films can be synthesized by controlling atomic concentration of Sn. Multilayer sequential sputtering of Nb and Sn thin films followed by high temperature annealing is considered as a method to fabricate Nb3Sn films where Sn composition of deposited films can be controlled by controlling the thickness of alternating Nb and Sn layers. We report on the structural, morphological and superconducting properties of Nb3Sn films fabricated by multilayer sequential sputtering of Nb and Sn films on sapphire substrates with ex-situ annealing at 950 °C for 3 h. We have investigated the effect of Nb and Sn layer thickness on the properties of Nb3Sn films. The thicknesses of Nb and Sn layers were varied in two ways: (1) varied Nb:Sn thickness ratio (1:1, 2:1, 3:1, 4:1), and (2) varied layer thickness of both Nb and Sn layers, while keeping constant Nb:Sn thickness ratio of 2:1. The crystal structure, surface morphology, topography, and film composition were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy dispersive X-ray spectroscopy (EDS) respectively. The results showed Sn loss from the surface due to evaporation during annealing. Superconducting Nb3Sn films of critical temperature up to 17.93 K have been achieved.

Sayeed, M. N.↗
DOE OSTI2020

Characterization with dense array data of seismic sources in the shallow part of the San Jacinto fault zone

SUMMARY We analyse dominant sources identified in a catalogue of more than 156 000 localizations performed using a 26-d data set recorded by a dense array set on the San Jacinto fault near Anza, in California. Events were localized using an array processing technique called Match Field Processing. As for all array processing techniques, the quality of the event position decrease when the events are outside of the array. We thus separate localizations in and outside the array using simple geometrical conditions. We compare the time distribution of the localization to additional data such as meteorological data, day of human activity as well as existing catalogues to determine the nature of the dominant events located using our method. We find that most of the events located outside of the array could be attributed to a surface structure excited by wind. On the other hand, part of the localizations under the array occur during regional earthquakes and could correspond to diffraction on the fault's heterogeneities. The rest of the localizations inside the array could be generated by the fault itself.

Geochemistry & Geophysics↗
DOE OSTI2018

Broad-band trajectory mechanics

We present here a trajectory-based solution to the elastodynamic equation of motion that is valid across a wide range of seismic frequencies. That is, the derivation of the solution does not invoke a high-frequency assumption or require that the medium have smoothly varying properties. The approach, adopted from techniques used in quantum dynamics, produces a set of coupled ordinary differential equations for the trajectory, the slowness vector and the elastic wave amplitude along the ray path. The trajectories may be determined by a direct solution of the governing equations or derived as the by-product of a numerical wavefield simulation. Synthetic tests with interfaces and layers containing increasingly narrow transition zones indicate that the conventional high-frequency trajectories associated with the eikonal equation bend too sharply into high-velocity regions as the wavelength exceeds the transition zone width. Tests in a velocity model, based upon mapped structural surfaces from the Geysers geothermal field in California, indicate that discrepancies between high-frequency and broad-band trajectories can exceed several hundred metres at wavelengths of 1 Hz. An application to a crosswell tomographic imaging experiment demonstrates that the technique provides a basis for the seismic monitoring of fluid flow along narrow features such as fracture zones.

58 GEOSCIENCES↗
DOE OSTI2020

Universal dynamics of coarsening during polymer-polymer thin-film spinodal dewetting kinetics

The dewetting dynamics of a supported bilayer polymer thin film on a solid substrate is investigated using grazing incidence x-ray photon correlation spectroscopy. We find that the top layer dewets via the spinodal mechanism. The kinetics of the dewetting is studied by monitoring the time evolution of the surface diffuse x-ray scattering intensity. We study the time evolution of fluctuations about the average surface structure by measuring the two-time x-ray intensity fluctuation correlation functions. Using these two-time correlation functions we quantify the crossover from early-time diffusive dynamics to hydrodynamics. The early diffusive regime satisfies dynamic universality. The two-time correlation functions also quantify the onset of hydrodynamic effects. The hydrodynamic regime is observed during the spinodal dewetting process as these interactions are not screened.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Boron nitride on SiC(0001)

Here, in the field of van der Waals heterostructures, the twist angle between stacked two-dimensional layers has been identified to be of utmost importance for the properties of the heterostructures. In this context, we previously reported the growth of a single layer of unconventionally oriented epitaxial graphene that forms in a surfactant atmosphere [F. C. Bocquet et al., Phys. Rev. Lett. 125, 106102 (2020)]. The resulting G-R0° layer is aligned with the SiC lattice, and hence represents an important milestone towards high-quality twisted bilayer graphene, a frequently investigated model system in this field. Here, we focus on the surface structures obtained in the same surfactant atmosphere, but at lower preparation temperatures at which a boron nitride template layer forms on SiC(0001). In a comprehensive study based on complementary experimental and theoretical techniques, we find—in contrast to the literature—that this template layer is a hexagonal B x N y layer, but not high-quality hBN. It is aligned with the SiC lattice and gradually replaced by low-quality graphene in the 0° orientation of the B x N y template layer upon annealing.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Connect the Dots: In Situ 4-D Seismic Monitoring of CO 2 Storage With Spatio-Temporal CNNs

4-D seismic imaging has been widely used in CO 2 sequestration projects to monitor the fluid flow in the volumetric subsurface region that is not sampled by wells. Ideally, real-time monitoring and near-future forecasting would provide site operators with great insights to understand the dynamics of the subsurface reservoir and assess any potential risks. However, due to obstacles such as high deployment cost, availability of acquisition equipment, exclusion zones around surface structures, only very sparse seismic imaging data can be obtained during monitoring. That leads to an unavoidable and growing knowledge gap over time. The operator needs to understand the fluid flow throughout the project lifetime and the seismic data are only available at a limited number of times. This is insufficient for understanding reservoir behavior. To overcome those challenges, we have developed spatio-temporal neural-network-based models that can produce high-fidelity interpolated or extrapolated images effectively and efficiently. Specifically, our models are built on an autoencoder, and incorporate the long short-term memory (LSTM) structure with a new loss function regularized by optical flow. We validate the performance of our models using real 4-D post-stack seismic imaging data acquired at the Sleipner CO 2 sequestration field. We employ two different strategies in evaluating our models. Numerically, we compare our models with different baseline approaches using classic pixel-based metrics. We also conduct a blind survey and collect a total of 20 responses from domain experts to evaluate the quality of data generated by our models. Finally, via both numerical and expert evaluation, we conclude that our models can produce high-quality 2-D/3-D seismic imaging data at a reasonable cost, offering the possibility of real-time monitoring or even near-future forecasting of the CO 2 storage reservoir.

4-D seismic imaging↗
DOE OSTI2020

Topological controls on aluminosilicate glass dissolution: Complexities induced in hyperalkaline aqueous environments

Abstract Fly ash, an aluminosilicate composite consisting of disordered (major) and crystalline (minor) compounds, is a low‐carbon alternative that can partially replace ordinary portland cement (OPC) in the binder fraction of concrete. Therefore, understanding the reactivity of fly ash in the hyperalkaline conditions prevalent in concrete is critical to predicting concrete's performance; including setting and strength gain. Herein, temporal measurements of the solution composition (using inductively coupled plasma‐optical emission spectrometry: ICP‐OES) are used to assess the aqueous dissolution rate of monophasic synthetic aluminosilicate glasses analogous to those present in technical fly ashes, under hyperalkaline conditions (10 ≤ pH ≤ 13) across a range of temperatures (25°C ≤ T≤45°C). The dissolution rate is shown to depend on the average number of topological constraints per atom within the glass network (n c , unitless), but this dependence weakens with increasing pH (>10). This is postulated to be on account of: (a) time‐dependent changes in the glass’ surface structure, that is, the number of topological constraints; and/or (b) a change in the dissolution mechanism (eg from network hydrolysis to transport control). The results indicate that the topological description of glass dissolution is most rigorously valid only at very short reaction times (ie at high undersaturations), especially under conditions of hyperalkalinity. These findings provide an improved basis to understand the underlying factors that affect the initial and ongoing reactivity of aluminosilicate glasses such as fly ash in changing chemical environments, for example, when such materials are utilized in cementitious composites.

Oey, Tandré↗
DOE OSTI2021

X-ray and electron spectroscopy of (photo)electrocatalysts: Understanding activity through electronic structure and adsorbate coverage

Electronic structure plays a critical role in the kinetics of (photo)electrocatalytic reactions. X-ray and electron spectroscopies provide key determinants—electronic structure, surface adsorbate speciation and coverage quantification, valence state, coordination chemistry, etc.—of catalytic activity and selectivity. Here, we provide an introduction to the fundamental physical concepts, capabilities, and limitations of x-ray photoelectron spectroscopy, x-ray absorption spectroscopy, and electron energy-loss spectroscopy as well as provide discussions of (photo)electrocatalysis-relevant publications utilizing each of these techniques. Our objective is to provide those new to x-ray and electron spectroscopies with sufficient information to assess which techniques probe desired material parameters, while also providing experts in each of these spectroscopic fields a bridge to view the importance of these spectroscopies to (photo)electrocatalysis research.

Carvalho, Oliver Quinn (ORCID:0000000344205203)↗
DOE OSTI2025

Synthesis and characterization of electron beam irradiation-induced damage in polycrystalline metal thin films

High-energy physics research, industrial sterilizing, and material processing depend extensively on electron beam accelerators. Exit windows are crucial components of such electron accelerator systems, maintaining vacuum integrity inside the machine while providing mechanical strength, thermal stability, and radiation resistance at the beam-target interface. In this study, thin metallic films of Ni, Ti, Cr, and V were explored for use in electron beam exit windows, and their properties were compared with the properties of their bulk counterparts. Simulation results of metal foils predicted Ti to exhibit less beam power dissipation compared to Ni. However, Ni possesses superior mechanical and structural properties compared to Ti. The performance of these films under electron beam irradiation was examined by depositing thin layers of these films on silicon and metallic substrates using magnetron sputtering and exposing them to e-beam irradiation in a controlled setup. The deposited films were subjected to a dose of approximately 66 kGy at a beam energy of 10 MeV and characterized prior to and postexposure to the beam using field emission scanning electron microscopy, atomic force microscopy, x-ray diffraction (XRD), and nanoindentation. Particular emphasis was given to characteristics like the grain structure, surface morphology, dislocation density, and hardness. XRD patterns revealed irradiation-induced changes in peak intensities, while the crystallinity remained largely unchanged. Nanoindentation results showed that the pristine and irradiated Ti and Ni films were twice as hard when compared to bulk Ti and Ni samples, regardless of the substrate type used (Si or bulk Ti, or Ni). These results emphasize the superior mechanical properties of thin metal films compared to their bulk counterparts. In conclusion, this study advances the optimization of thin film materials for robust and efficient e-beam applications, ensuring improved durability and operational reliability.

AFM↗
DOE OSTI2015

SU-E-T-234: Daily Quality Assurance for a Six Degrees of Freedom Couch Using a Novel Phantom

Purpose: To test the accuracy and reproducibility of both translational and rotational movements for a couch with six degrees of freedom (6DoF) using a novel phantom design Methods: An end-to-end test was carried out using two different phantoms. A 6 cm3 cube with a central fiducial BB (WL-QA Sun Nuclear) and a custom fabricated rectangular prism (31 cm x 8 cm x 8 cm), placed on a baseplate with known angular offsets for pitch, roll and yaw with a central fiducial BB and unique surface structures for registration purposes, were used. The end-to-end test included an initial CT simulation for a reference study, setup to an offset mark on each phantom, registration of the reference CT to the acquired cone-beam CT, and final Winston-Lutz delivery at four cardinal gantry angles. Results for both translational and rotational movements were recorded and compared for both phantoms. Results: Translational and rotational measurements were performed with a PerfectPitch (Varian) couch for 10 trials for both phantoms. Distinct translational shifts were [−5.372±0.384mm, −10.183±0.137mm, 14.028±0.155mm] for the cube and [7.520±0.159mm, −9.117±0.101mm, 16.273±0.115mm] for the prototype phantom for lateral, longitudinal, and vertical shifts, respectively. Distinct rotational adjustments were [1.121±0.102o, −1.067±0.235o, −2.662±0.380o] for the cube and [2.534±0.059o, 1.994±0.025o, 2.094±0.076o] for the prototype for pitch, roll, and yaw, respectively. Winston-Lutz test results performed after 6DoF couch correction from each cardinal gantry angle ranged from 0.26–0.72mm for the cube and 0.55–0.86mm for the prototype. Conclusion: The prototype phantom is more precise for both translational and rotational adjustments compared to a commercial phantom. The design of the prototype phantom allows for a more discernible visual confirmation of correct translational and rotational adjustments with the prototype phantom. Winston-Lutz results are more accurate for the commercial phantom but are still within tolerance for the prototype phantom.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

A robust real-time surface reconstruction method on point clouds captured from a 3D surface photogrammetry system

Purpose: To develop a robust and real-time surface reconstruction method on point clouds captured from a 3D surface photogrammetry system. Methods: The authors have developed a robust and fast surface reconstruction method on point clouds acquired by the photogrammetry system, without explicitly solving the partial differential equation required by a typical variational approach. Taking advantage of the overcomplete nature of the acquired point clouds, their method solves and propagates a sparse linear relationship from the point cloud manifold to the surface manifold, assuming both manifolds share similar local geometry. With relatively consistent point cloud acquisitions, the authors propose a sparse regression (SR) model to directly approximate the target point cloud as a sparse linear combination from the training set, assuming that the point correspondences built by the iterative closest point (ICP) is reasonably accurate and have residual errors following a Gaussian distribution. To accommodate changing noise levels and/or presence of inconsistent occlusions during the acquisition, the authors further propose a modified sparse regression (MSR) model to model the potentially large and sparse error built by ICP with a Laplacian prior. The authors evaluated the proposed method on both clinical point clouds acquired under consistent acquisition conditions and on point clouds with inconsistent occlusions. The authors quantitatively evaluated the reconstruction performance with respect to root-mean-squared-error, by comparing its reconstruction results against that from the variational method. Results: On clinical point clouds, both the SR and MSR models have achieved sub-millimeter reconstruction accuracy and reduced the reconstruction time by two orders of magnitude to a subsecond reconstruction time. On point clouds with inconsistent occlusions, the MSR model has demonstrated its advantage in achieving consistent and robust performance despite the introduced occlusions. Conclusions: The authors have developed a fast and robust surface reconstruction method on point clouds captured from a 3D surface photogrammetry system, with demonstrated sub-millimeter reconstruction accuracy and subsecond reconstruction time. It is suitable for real-time motion tracking in radiotherapy, with clear surface structures for better quantifications.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-SPS-08: Measuring the Interaction Of DDR Cell Receptors and Extracellular Matrix Collagen in Prostate Cells

Purpose: Discoidin domain receptors (DDR) have recently been recognized as important players in cancer progression. DDRs are cell receptors that interact with collagen, an extracellular matrix (ECM) protein. However the detailed mechanism of their interaction is unclear. Here we attempted to examine their interaction in terms of structural (surface topography), mechanical (rupture force), and kinetic (binding probability) information on the single molecular scale with the use of atomic force microscopy (AFM). Methods: The Quantitative Nano-mechanical property Mapping (QNM) mode of AFM allowed to assess the cells in liquid growth media at their optimal physiological while being viable. Human benign prostate hyperplasia (BPH-1) cell line was genetically regulated to suppress DDR expression (DDR- cells) and was compared with naturally DDR expressing cells (DDR+). Results: Binding force measurements (n = 1000) were obtained before and after the two groups were treated with fibronectin (FN), an integrin-inhibiting antibody to block the binding of integrin. The quantification indicates that cells containing DDR bind with collagen at a most probable force of 80.3–83.0 ±7.6 pN. The probability of them binding is 0.167 when other interactions (mainly due to integrin-collagen binding) are minimized. Conclusion: Together with further force measurements at different pulling speeds will determine dissociation rate, binding distance and activation barrier. These parameters in benign cells provides some groundwork in understanding DDR’s behavior in various cell microenvironments such as in malignant tumor cells. Funding supported by Richard Barber Interdisciplinary Research Program of Wayne State University.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-J-21: Clinical Evaluation of Surface Scanning Systems in Different Treatment Locations

Purpose: To reduce imaging dose in fractionated IGRT, the ability of optical surface imaging systems (OSIS) to detect setup errors was tested. Therefore, clinical studies to evaluate for different treatment locations setup corrections derived by OSIS in comparison with x-ray image guidance in fractionated radiation therapy was performed. Methods: The setup correction accuracy of an OSIS system (AlignRT, VisionRT, London, UK) will be analysed for the 4 tumour locations Pelvis, Upper Abdomen, Thorax and Breast, 20 patients for each location in comparison to a different system (Sentinel, C-RAD, SE). For each patient, the setup corrections of the cone-beam computed tomography (CBCT) of an Elekta Versa HD linear accelerator (Elekta, Crawley, UK) is considered as gold-standard and then compared with those of the OSIS for the first ten fractions retrospectively. There were no clinical decisions made based on the surrogate system. For the OSIS, the reference surface is highly important as it represents the actual ground truth. It can be obtained either with the system itself or the surface structure delineated in the planning CT can be imported via DICOM interface. In this paper, the first results for the treatment region thorax are presented. The reference image modalities were compared. Results: Table 1 displays the difference between the setup corrections obtained with OSIS and CBCT in lateral (LAT), longitudinal (LNG) and vertical (VRT) direction for the DICOM reference image. While the median deviations are within a few millimeters, some outliers showed large deviations. Generally, the mean deviation as well as the spread was smallest in lateral and largest in vertical direction. Conclusion: Although the system allows fast, simple and non-invasive determination of setup corrections, it should be evaluated treatment region dependant. Therefore, the study is ongoing. The application of OSIS may help to reduce the imaging dose for the patient. We gratefully acknowledge the support by our colleagues from the Radiological University Clinic Heidelberg, where the study was performed. This work was funded by the Federal Ministry of Education and Research (BMBF) Germany, grant number 01IB13001B.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

X-ray-driven reaction front dynamics at calcite-water interfaces

The interface between minerals and aqueous solutions hosts globally important biogeochemical processes such as the growth and dissolution of carbonate minerals. Understanding such processes requires spatially and temporally resolved observations and experimental controls that precisely manipulate the interfacial thermodynamic state. Using the intense radiation fields of a focused synchrotron x-ray beam, we drove dissolution at the calcite/water interface and simultaneously probed the dynamics of the propagating reaction fronts using surface x-ray microscopy. Evolving surface structures were controlled by the time-dependent solution composition, as characterized by a kinetic reaction model. At extreme disequilibria, we observed the onset of reaction front instabilities with velocities of > 30 nanometers per second. These instabilities serve as a signature of transport-limited dissolution of calcite under extreme disequilibrium.

calcite-water interface↗
DOE OSTI2021

Driving energetically unfavorable dehydrogenation dynamics with plasmonics

Nanoparticle surface structure and geometry generally dictate where chemical transformations occur, with higher chemical activity at sites with lower activation energies. Here, we show how optical excitation of plasmons enables spatially modified phase transformations, activating otherwise energetically unfavorable sites. We have designed a crossed-bar Au-PdH x antenna-reactor system that localizes electromagnetic enhancement away from the innately reactive PdH x nanorod tips. Using optically coupled in situ environmental transmission electron microscopy, we track the dehydrogenation of individual antenna-reactor pairs with varying optical illumination intensity, wavelength, and hydrogen pressure. Our in situ experiments show that plasmons enable new catalytic sites, including dehydrogenation at the nanorod faces. Molecular dynamics simulations confirm that these new nucleation sites are energetically unfavorable in equilibrium and only accessible through tailored plasmonic excitation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Structure and properties of nanostructured ZnO arrays and ZnO/Ag nanocomposites fabricated by pulsed electrodeposition

We investigate the structure, surface morphology, and optical properties of nanostructured ZnO arrays fabricated by pulsed electrodeposition, Ag nanoparticles precipitated from colloidal solutions, and a ZnO/Ag nanocomposite based on them. The electronic and electrical parameters of the ZnO arrays and ZnO/Ag nanocomposites are analyzed by studying the I–V and C–V characteristics. Optimal modes for fabricating the ZnO/Ag heterostructures with the high stability and sensitivity to ultraviolet radiation as promising materials for use in photodetectors, gas sensors, and photocatalysts are determined.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Studying the Formation of Antireflection Coatings on Multijunction Solar Cells

The formation of antireflection coating on multijunction solar cells based on A{sub 3}B{sub 5} semiconductor heterostructures has been studied at the stage of structure surface processing by methods of plasmachemical, wet chemical, and ion-beam etching. A technology of creating antireflection coatings based on TiO{sub x}/SiO{sub 2} layers is developed. The obtained coatings are characterized by improved adhesion to the surface of heterostructure and reduced reflection coefficient of multijunction solar cells.

14 SOLAR ENERGY↗
DOE OSTI2019

Modeling Sulfur Poisoning of Palladium Membranes Used for Hydrogen Separation

Hydrocarbons are the most important source for hydrogen production. A combined reaction-separation process using inorganic membranes can significantly increase the reaction conversion by shifting the equilibrium toward product formation. Sulfur poisoning is a significant problem as it deactivates the most commonly used metallic membranes. The relationship of the membrane activity and surface coverage with the surface structure has been recognized in the literature. A theoretical model to simulate hydrogen transport in the presence of sulfur compounds is presented. This model accounts for active site deactivation and permanent structural damage to the membrane. Transport and reaction rate parameters used in the model have been estimated from experimental data. Qualitatively, the model represents well the behavior of inorganic membranes, including partial membrane activity regeneration after the sulfur source is removed.

08 HYDROGEN↗