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At least 757 records · Page 42

Optical and electronic functionality arising from controlled defect formation in nanoscale complex oxide lateral epitaxy

Epitaxial crystallization of complex oxides provides the means to create materials with precisely selected composition, strain, and orientation, thereby controlling their functionalities. Extending this control to nanoscale three-dimensional geometries can be accomplished via a three-dimensional analog of oxide solid-phase epitaxy, lateral epitaxial crystallization. The orientation of crystals within laterally crystallized SrTiO 3 systematically changes from the orientation of the SrTiO 3 substrate. This evolution occurs as a function of lateral crystallization distance, with a rate of approximately 50° μm -1 . The mechanism of the rotation is consistent with a steady-state stress of tens of megapascal over a 100–nanometer scale region near the moving amorphous/crystalline interface arising from the amorphous-crystalline density difference. Second harmonic generation and piezoelectric force microscopy reveal that the laterally crystallized SrTiO 3 is noncentrosymmetric and develops a switchable piezoelectric response at room temperature, illustrating the potential to use lateral crystallization to control the functionality of complex oxides.

36 MATERIALS SCIENCE↗

A Monte Carlo Rectangle Packing Algorithm for Identifying Likely Spatial Distributions of Final Closure Cap Subsidence in the E-Area Low-Level Waste Facility

A Monte Carlo rectangle packing algorithm, summarized in Figure ES-1, has been developed to provide insights into the likely spatial distribution of subsided areas or holes in the final closure cap for the E-Area Low-Level Waste Facility (ELLWF) resulting from the placement of non-crushable waste containers within slit and engineered trench disposal units. Using historical records provided by Solid Waste Management as an indicator of future waste streams, a probability distribution of unique waste containers was constructed, and Monte Carlo sampling was used to sequentially select waste containers for placement in a rectangular region bounded by the disposal unit footprint. Within this Monte Carlo approach, the probability of any container type being selected is weighted by the fractional abundance relative to all other container types. For each Monte Carlo realization, the frequency of non-crushable waste containers appearing at each location on a spatially discretized mesh is updated. After many realizations, the location(s) with the highest frequencies of non-crushable waste containers are regarded as the most likely locations to experience subsidence (i.e., for a hole to form). Utilizing this approach has enabled the down-selection of a computationally intractable set of subsidence hole combinations to be explored in three-dimensional finite element groundwater flow and contaminant transport models. Such an approach can be applied to a number of different packaging problems.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Ionospheric scintillation by a random phase screen Spectral approach

The theory developed by Briggs and Parkin, given in terms of an anisotropic gaussian correlation function, is extended to a spectral description specified as a continuous function of spatial wavenumber with an intrinsic outer scale as would be expected from a turbulent medium. Two spectral forms were selected for comparison: (1) a power-law variation in wavenumber with a constant three-dimensional index equal to 4, and (2) Gaussian spectral variation. The results are applied to the F-region ionosphere with an outer-scale wavenumber of 2 per km (approximately equal to the Fresnel wavenumber) for the power-law variation, and 0.2 per km for the Gaussian spectral variation. The power-law form with a small outer-scale wavenumber is consistent with recent F-region in-situ measurements, whereas the gaussian form is mathematically convenient and, hence, mostly used in the previous developments before the recent in-situ measurements. Some comparison with microwave scintillation in equatorial areas is made.

Rufenach, C. L.↗

Three dimensional thrust chamber life prediction

A study was performed to analytically determine the cyclic thermomechanical behavior and fatigue life of three configurations of a Plug Nozzle Thrust Chamber. This thrust chamber is a test model which represents the current trend in nozzle design calling for high performance coupled with weight and volume limitations as well as extended life for reusability. The study involved the use of different materials and material combinations to evaluate their application to the problem of low-cycle fatigue in the thrust chamber. The thermal and structural analyses were carried out on a three-dimensional basis. Results are presented which show plots of continuous temperature histories and temperature distributions at selected times during the operating cycle of the thrust chamber. Computed structural data show critical regions for low-cycle fatigue and the histories of strain within the regions for each operation cycle.

Armstrong, W. H.↗

A three-dimensional body-fitted coordinate system for flow field calculations on asymmetric nosetips

A three dimensional body-fitted coordinate system developed for use in the calculation of inviscid flows over ablated, asymmetric reentry vehicle nosetips is described. Because of the potential geometric asymmetries, no standard coordinate system (e.g., spherical, axisymmetric reference surface-normal) is capable of being closely aligned with the nosetip surface. To generate a 3-D, body-fitted coordinate system an analytic mapping procedure is applied that is conformal within each meridional plane of the nosetip; these transformations are then coupled circumferentially to yield a three dimensional coordinate system. The mappings used are defined in terms of hinge points, which are points selected to approximate the body contours in each meridional plane. The selection of appropriate hinge points was automated to facilitate the use of the resulting nosetip flow field code.

Hall, D. W.↗

Improving the geological interpretation of magnetic and gravity satellite anomalies

Quantitative analysis of the geologic component of observed satellite magnetic and gravity fields requires accurate isolation of the geologic component of the observations, theoretically sound and viable inversion techniques, and integration of collateral, constraining geologic and geophysical data. A number of significant contributions were made which make quantitative analysis more accurate. These include procedures for: screening and processing orbital data for lithospheric signals based on signal repeatability and wavelength analysis; producing accurate gridded anomaly values at constant elevations from the orbital data by three-dimensional least squares collocation; increasing the stability of equivalent point source inversion and criteria for the selection of the optimum damping parameter; enhancing inversion techniques through an iterative procedure based on the superposition theorem of potential fields; and modeling efficiently regional-scale lithospheric sources of satellite magnetic anomalies. In addition, these techniques were utilized to investigate regional anomaly sources of North and South America and India and to provide constraints to continental reconstruction. Since the inception of this research study, eleven papers were presented with associated published abstracts, three theses were completed, four papers were published or accepted for publication, and an additional manuscript was submitted for publication.

Hinze, William J.↗

The terminal area simulation system. Volume 2: Verification cases

The numerical simulation of five case studies are presented and are compared with available data in order to verify the three-dimensional version of the Terminal Area Simulation System (TASS). A spectrum of convective storm types are selected for the case studies. Included are: a High-Plains supercell hailstorm, a small and relatively short-lived High-Plains cumulonimbus, a convective storm which produced the 2 August 1985 DFW microburst, a South Florida convective complex, and a tornadic Oklahoma thunderstorm. For each of the cases the model results compared reasonably well with observed data. In the simulations of the supercell storms many of their characteristic features were modeled, such as the hook echo, BWER, mesocyclone, gust fronts, giant persistent updraft, wall cloud, flanking-line towers, anvil and radar reflectivity overhang, and rightward veering in the storm propagation. In the simulation of the tornadic storm a horseshoe-shaped updraft configuration and cyclic changes in storm intensity and structure were noted. The simulation of the DFW microburst agreed remarkably well with sparse observed data. The simulated outflow rapidly expanded in a nearly symmetrical pattern and was associated with a ringvortex. A South Florida convective complex was simulated and contained updrafts and downdrafts in the form of discrete bubbles. The numerical simulations, in all cases, always remained stable and bounded with no anomalous trends.

Proctor, F. H.↗

A comparative study of turbulence models in predicting hypersonic inlet flows

A computational study has been conducted to evaluate the performance of various turbulence models. The NASA P8 inlet, which represents cruise condition of a typical hypersonic air-breathing vehicle, was selected as a test case for the study; the PARC2D code, which solves the full two dimensional Reynolds-averaged Navier-Stokes equations, was used. Results are presented for a total of six versions of zero- and two-equation turbulence models. Zero-equation models tested are the Baldwin-Lomax model, the Thomas model, and a combination of the two. Two-equation models tested are low-Reynolds number models (the Chien model and the Speziale model) and a high-Reynolds number model (the Launder and Spalding model).

Kapoor, Kamlesh↗

An experimental and computational investigation of a translating throat single expansion-ramp nozzle

A translating throat single expansion-ramp nozzle (SERN) concept was designed to improve the off-design performance of a SERN with a large, fixed expansion ratio. The concept of translating the nozzle throat provides the SERN with a variable expansion ratio. An experimental and computational study was conducted to predict and verify the internal performance of this concept. Three nozzles with expansion ratios designed for low, intermediate, and high Mach number operating conditions were tested in the Jet-Exit Test Facility at the NASA Langley Research Center. Each nozzle was tested with a concave and a convex geometric expansion ramp surface design. Internal nozzle performance, paint-oil flow and focusing Schlieren flow visualization were obtained for nozzle pressure ratios (NPR's) up to 13. The Navier-Stokes code, PAB3D, with a k-epsilon turbulence model was utilized to verify experimental results at selected NPRs and to predict the performance at conditions unattainable in the test facility. Two-dimensional simulations were computed with near static free-stream conditions and at nozzle pressure ratios of 5, 9, and 13 for the concave ramp, low Mach number configuration and at the design NPR of 102 for the concave ramp, high Mach number configuration. Remarkable similarities between predicted and experimental flow characteristics, as well as performance quantities, were obtained.

Deere, Karen A.↗

Forecast skill of a high-resolution real-time mesoscale model designed for weather support of operations at Kennedy Space Center and Cape Canaveral Air Station

NASA funded Mesoscale Environmental Simulations and Operations (MESO), Inc. to develop a version of the Mesoscale Atmospheric Simulation System (MASS). The model has been modified specifically for short-range forecasting in the vicinity of KSC/CCAS. To accomplish this, the model domain has been limited to increase the number of horizontal grid points (and therefore grid resolution) and the model' s treatment of precipitation, radiation, and surface hydrology physics has been enhanced to predict convection forced by local variations in surface heat, moisture fluxes, and cloud shading. The objective of this paper is to (1) provide an overview of MASS including the real-time initialization and configuration for running the data pre-processor and model, and (2) to summarize the preliminary evaluation of the model's forecasts of temperature, moisture, and wind at selected rawinsonde station locations during February 1994 and July 1994. MASS is a hydrostatic, three-dimensional modeling system which includes schemes to represent planetary boundary layer processes, surface energy and moisture budgets, free atmospheric long and short wave radiation, cloud microphysics, and sub-grid scale moist convection.

Taylor, Gregory E.↗

Assessment of an Euler-Interacting Boundary Layer Method Using High Reynolds Number Transonic Flight Data

Flight-measured high Reynolds number turbulent-flow pressure distributions on a transport wing in transonic flow are compared to unstructured-grid calculations to assess the predictive ability of a three-dimensional Euler code (USM3D) coupled to an interacting boundary layer module. The two experimental pressure distributions selected for comparative analysis with the calculations are complex and turbulent but typical of an advanced technology laminar flow wing. An advancing front method (VGRID) was used to generate several tetrahedral grids for each test case. Initial calculations left considerable room for improvement in accuracy. Studies were then made of experimental errors, transition location, viscous effects, nacelle flow modeling, number and placement of spanwise boundary layer stations, and grid resolution. The most significant improvements in the accuracy of the calculations were gained by improvement of the nacelle flow model and by refinement of the computational grid. Final calculations yield results in close agreement with the experiment. Indications are that further grid refinement would produce additional improvement but would require more computer memory than is available. The appendix data compare the experimental attachment line location with calculations for different grid sizes. Good agreement is obtained between the experimental and calculated attachment line locations.

Bonhaus, Daryl L.↗

A New Empirical Correlation for Condensation Heat Transfer Coefficient of Air-Steam Mixture on a Vertical Tube

The Passive Containment Cooling System (PCCS) provides passive means to remove the decay heat and protect the integrity of the containment during severe accidents. For thermal design and performance evaluation of the PCCS condensers, one needs experimental data and a heat transfer model for condensation heat transfer in the presence of a noncondensable gas on a vertical tube. The main objective of this study is to propose a new empirical correlation, based on the experimental data obtained in Jeju National University, expressed in terms of dimensionless numbers. Dimensionless numbers to account for vapor-gas condensation phenomena are found by non-dimensionalizing the governing boundary layer equations, and the predictions of the proposed correlation is validated with selected sets of experimental data. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Local gravity theories in conformal superspace

The conformal method for the initial value formulation of GR is one of the most powerful and widely usedtools in both analytical studies and numerical simulations of solutions. As is well-known, it exploits a hidden spatial conformal symmetry that can be extracted from the equations. But why conformal symmetry? Motivated by these questions and by well-known obstacles to quantum gravity, I look for the most general geometrodynamical symmetries compatible with a reduced physical configuration space for metric gravity. I argue that they are indeed spatial conformal diffeomorphisms. The next question is: what sort of theories most naturally incorporate this symmetry? Demanding locality for an action for metric gravity compatible with these principles determines the allowed operators, both for the purely gravitational part as well as matter couplings. The symmetries guarantee that there are two gravitational propagating physical degrees of freedom, but no explicit refoliation-invariance. The simplest such system has a geometric interpretation as a geodesic model in infinite-dimensional conformal superspace. One example of solution to the equations of motion corresponds to a static Bianchi IX spatial ansatz. The unique coupling to electromagnetism forces the electromagnetic equations to be hyperbolic, enabling us to “build” a standard space–time causal structure. There are, however, deviations from the standard Maxwell equations when space–time anisotropies become too large. Regarding quantization, with the geometric interpretation and the lack of refoliation invariance, the path integral treatment of the symmetries becomes much less involved than the similar approaches to GR. The symmetries form an (infinite-dimensional) Lie algebra, and no BFV treatment is necessary. Moreover, one can use gauge-invariant variational principles for selecting the boundary conditions of the path integral. We find that the propagator around the homogeneous solution has up to 6th order spatial derivatives, giving it plausible regularization properties as in Horava–Lifschitz.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Bio-inspired routes for synthesizing efficient nanoscale platinum electrocatalysts

The overall objective of the proposed research is to use fundamental advances in bionanotechnology to design powerful platinum nanocrystal electrocatalysts for fuel cell applications. The new economically-viable, environmentally-friendly, bottom-up biochemical synthetic strategy will produce platinum nanocrystals with tailored size, shape and crystal orientation, hence leading to a maximum electrochemical reactivity. There are five specific aims to the proposed bio-inspired strategy for synthesizing efficient electrocatalytic platinum nanocrystals: (1) isolate peptides that both selectively bind particular crystal faces of platinum and promote the nucleation and growth of particular nanocrystal morphologies, (2) pattern nanoscale 2-dimensional arrays of platinum nucleating peptides from DNA scaffolds, (3) investigate the combined use of substrate patterned peptides and soluble peptides on nanocrystal morphology and growth (4) synthesize platinum crystals on planar and large-area carbon electrode supports, and (5) perform detailed characterization of the electrocatalytic behavior as a function of catalyst size, shape and morphology. Project Description and Impact: This bio-inspired collaborative research effort will address key challenges in designing powerful electrocatalysts for fuel cell applications by employing nucleic acid scaffolds in combination with peptides to perform specific, environmentally-friendly, simultaneous bottom-up biochemical synthesis and patterned assembly of highly uniform and efficient platinum nanocrystal catalysts. Bulk synthesis of nanoparticles usually produces a range of sizes, accessible catalytic sites, crystal morphologies, and orientations, all of which lead to inconsistent catalytic activities. In contrast, biological systems routinely demonstrate exquisite control over inorganic syntheses at neutral pH and ambient temperature and pressures. Because the orientation and arrangement of the templating biomolecules can be precisely controlled, the nanocrystals boast a defined shape, morphology, orientation and size and are synthesized at benign reaction conditions. Adapting the methods of biomineralization towards the synthesis of platinum nanocrystals will allow effective control at a molecular level of the synthesis of highly active metal electrocatalysts, with readily tailored properties, through tuning of the biochemical inputs. The proposed research will incorporate many facets of biomineralization by: (1) isolating peptides that selectively bind particular crystal faces of platinum (2) isolating peptides that promote the nucleation and growth of particular nanocrystal morphologies (3) using two-dimensional DNA scaffolds to control the spatial orientation and density of the platinum nucleating peptides, and (4) combining bio-templating and soluble peptides to control crystal nucleation, orientation, and morphology. The resulting platinum nanocrystals will be evaluated for their electrocatalytic behavior (on common carbon supports) to determine their optimal size, morphology and crystal structure. We expect that such rational biochemical design will lead to highly uniform and efficient platinum nanocrystal catalysts for fuel cell applications.

36 MATERIALS SCIENCE↗

Selective enhancement of Coulomb interactions in planar Weyl fermions

We report on our study of the electron interaction effects in topological two-dimensional (2D) materials placed in a quantizing magnetic field. Taking our cue from a recent experimental report, we consider a particular case of bismuthene monolayer with a strong spin-orbit interaction which can be a Weyl semimetal when placed on a specially tuned substrate. Interestingly, we observe that in some Landau levels of this material, the interaction effects are enhanced compared to those for a conventional 2D system and graphene monolayer. Such an enhancement of electron-electron interactions in these materials is largely due to an anisotropy present in the materials. Additionally, the interaction effects can be tuned by changing the coupling to the substrate and the strongest inter-electron interactions are observed when the system is a Weyl semimetal. Furthermore, the observed enhancement of the interaction effects can therefore be an important signature of the 2D Weyl fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Method for printing low-density polymer structures

A method of forming a low-density three-dimensional article is provided. The method includes printing a low-density composition on a substrate to form at least one layer comprising the low-density composition. The low-density composition includes a (P) polymer component and (M) a microsphere component in a ratio by volume (P):(M). The method also includes selectively controlling a density of the low-density composition during printing to give the at least one layer on the substrate. Selectively controlling the density of the low-density composition includes varying the ratio (P):(M) during printing. The method further includes repeating the printing and selectively controlling the density of the low-density composition to form additional layer(s), thereby forming the low-density three-dimensional article. A low-density three-dimensional article prepared in accordance with the method is also provided.

Kunc, Vlastimil↗

Selective Transfer of Rotationally Commensurate MoS 2 from an Epitaxially Grown van der Waals Heterostructure

We report that large-scale synthesis of high-quality two-dimensional (2D) semiconductors is critical for their incorporation in emerging electronic and optoelectronic technologies. In particular, chemical vapor deposition (CVD) of transition-metal dichalcogenides (TMDs) via van der Waals epitaxy on epitaxial graphene (EG) leads to rotationally commensurate TMDs in contrast to randomly aligned TMDs grown on amorphous oxide substrates. However, the interlayer coupling between TMDs and EG hinders the investigation and utilization of the intrinsic electronic properties of the resulting TMDs, thus requiring their isolation from the EG growth substrate. To address this issue, we report here a technique for selectively transferring monolayer molybdenum disulfide (MoS 2 ) from CVD-grown MoS 2 -EG van der Waals heterojunctions using copper (Cu) adhesion layers. The choice of Cu as the adhesion layer is motivated by density functional theory calculations that predict the preferential binding of monolayer MoS 2 to Cu in contrast to graphene. Atomic force microscopy and optical spectroscopy confirm the large-scale transfer of rotationally commensurate MoS 2 onto SiO 2 /Si substrates without cracks, wrinkles, or residues. Furthermore, the transferred MoS 2 shows high performance in field-effect transistors with mobilities of up to 30 cm 2 /V s and on/off ratios of up to 10 6 at room temperature. Lastly, this transfer technique can likely be generalized to other TMDs and related 2D materials grown on EG, thus offering a broad range of benefits in nanoelectronic, optoelectronic, and photonic applications.

36 MATERIALS SCIENCE↗

Trajectory prediction dimensionality reduction for low-cost connected automated vehicle systems

Here, to facilitate low-cost connected automated vehicle (CAV) system development, this study proposes two interpretable dimensionality reduction techniques in vehicle trajectory prediction, i.e., the piecewise Taylor series approximation (PTA) and the piecewise Fourier series approximation (PFA), to lower computation complexity, reduce device investment, and decrease computation energy consumption. Two benchmarks are developed, the long short-term memory (LSTM)-based model without dimensionality reduction and the LSTM-based model with encoder-decoder (a widely used dimensionality reduction technique). Results show that the four predictions have similar accuracy, and the training time (proportional to computation energy consumption) of models with dimensionality reduction techniques is greatly reduced. The reduction is even more significant when PTA/PFA is used. Sensitivity analysis advises PFA/PTA parameter selections to reduce computation complexity without significant loss of prediction accuracy. Further, the robustness of the LSTM PTA/PFA is proven by the investigation of data noises.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗