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At least 1,531 records · Page 85

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NASA NTRS1996

Assessment of an Unstructured-Grid Method for Predicting 3-D Turbulent Viscous Flows

A method is presented for solving turbulent flow problems on three-dimensional unstructured grids. Spatial discretization is accomplished by a cell-centered finite-volume formulation using an accurate linear reconstruction scheme and upwind flux differencing. Time is advanced by an implicit backward-Euler time-stepping scheme. Flow turbulence effects are modeled by the Spalart-Allmaras one-equation model, which is coupled with a wall function to reduce the number of cells in the sublayer region of the boundary layer. A systematic assessment of the method is presented to devise guidelines for more strategic application of the technology to complex problems. The assessment includes the accuracy in predictions of skin-friction coefficient, law-of-the-wall behavior, and surface pressure for a flat-plate turbulent boundary layer, and for the ONERA M6 wing under a high Reynolds number, transonic, separated flow condition.

Frink, Neal T.↗

NASA NTRS1996

Assessment of an Unstructured-Grid Method for Predicting 3-D Turbulent Viscous Flows

A method Is presented for solving turbulent flow problems on three-dimensional unstructured grids. Spatial discretization Is accomplished by a cell-centered finite-volume formulation using an accurate lin- ear reconstruction scheme and upwind flux differencing. Time is advanced by an implicit backward- Euler time-stepping scheme. Flow turbulence effects are modeled by the Spalart-Allmaras one-equation model, which is coupled with a wall function to reduce the number of cells in the sublayer region of the boundary layer. A systematic assessment of the method is presented to devise guidelines for more strategic application of the technology to complex problems. The assessment includes the accuracy In predictions of skin-friction coefficient, law-of-the-wall behavior, and surface pressure for a flat-plate turbulent boundary layer, and for the ONERA M6 wing under a high Reynolds number, transonic, separated flow condition.

Frink, Neal T.↗

NASA NTRS2018

Characterization of Titanium Alloys Produced by Electron Beam Directed Energy Deposition

Functionally graded materials offer the potential to improve structural efficiency by allowing the material composition and/or microstructural features to spatially vary within a component. Additive manufacturing techniques enable the fabrication of such graded materials and structures. While examining several titanium alloys, this paper focuses on Ti-8Al-1Er as it has a unique microstructure that is only feasible when produced by rapid solidification methods like electron beam directed energy deposition, an additive manufacturing process. The results show that, when mixed, Ti-8Al-1Er and commercially-pure titanium uniformly mix at various ratios and the resultant static tensile properties of the mixed alloys behave according to rule-of-mixtures. At discontinuous interfaces between Ti-8Al-1Er and commercially-pure titanium, the crack growth behavior progresses smoothly across the discontinuity as the crack transitions from one crack growth regime into another. Studies on monolithic samples shows the mechanisms of damage in the Ti-8Al-1Er; specifically, that strain localization occurs near grain boundaries of high mis-orientation on the microscale and that twinning and dislocation density is concentrated near erbia-strengthening particles (Er2O3) on the nanoscale.

Newman, John A.↗

DOE OSTI2019

Temperature and Excitation Dependence of Recombination in CIGS Thin Films with High Spatial Resolution

Alkali post-deposition treatments significantly improve the performance of CuInGaSe2 (CIGS) devices, but there is still room for improvement. Here, we investigate the effects of potassium fluoride alkali post-deposition treatment on the defect chemistry and recombination at grain boundaries and grain interiors using temperature- and injection-dependent cathodoluminescence (CL) spectrum imaging. We study CIGS thin films grown on alkali-free sapphire substrates to isolate the effects of alkali treatment from alkali metals that can diffuse from standard soda-lime glass substrates. We find that alkali treatment affects the energy and temperature dependence of the luminescence peaks, as well as the defect activation energies. CL spectrum images reveal that the luminescence transitions at grain boundaries have a distinct power dependence after alkali treatment and substantially different defect chemistry. This work shows that temperatureand injection-dependence CL spectrum images can provide unique insight into the defect chemistry and recombination behavior of CIGS thin films.

14 SOLAR ENERGY↗

DOE OSTI2020

Mapping of Texture and Phase Fractions in Heterogeneous Stress States during Multiaxial Loading of Biomedical Superelastic NiTi

Thermoelastic deformation mechanisms in polycrystalline biomedical-grade superelastic NiTi are spatially mapped using in situ neutron diffraction during multiaxial loading and heating. The trigonal R-phase is formed from the cubic phase during cooling to room temperature and subsequently deforms in compression, tension, and torsion. The resulting R-phase variant microstructure from the variant reorientation and detwinning processes are equivalent for the corresponding strain in tension and compression, and the variant microstructure is reversible by isothermal loading. The R-phase variant microstructure is consistent between uniaxial and torsional loading when the principal stress directions of the stress state are considered (for the crystallographic directions observed here). The variant microstructure evolution is tracked and the similarity in general behavior between uniaxial and torsional loading, in spite of the implicit heterogeneous stress state associated with torsional loading, pointed to the ability of the reversible thermoelastic transformation in NiTi to accommodate stress and strain mismatch with deformation. This ability of the R-phase, despite its limited variants, to accommodate stress and strain and satisfy strain incompatibility in addition to the existing internal stresses has significance for reducing irrecoverable deformation mechanisms during loading and cycling through the phase transformation.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Orbital Angular Momentum from Self‐Assembled Concentric Nanoparticle Rings

Abstract Ring‐shaped nanostructures can focus, filter, and manipulate electromagnetic waves, but are challenging to incorporate into devices using standard nanofabrication techniques. Directed self‐assembly (DSA) of block copolymers (BCPs) on lithographically patterned templates has successfully been used to fabricate concentric rings and spirals as etching masks. However, this method is limited by BCP phase behavior and material selection. Here, a straightforward approach to generate ring‐shaped nanoparticle assemblies in thin films of supramolecular nanocomposites is demonstrated. DSA is used to guide the formation of concentric rings with radii spanning 150–1150 nm and ring widths spanning 30–60 nm. When plasmonic nanoparticles are used, ring nanodevice arrays can be fabricated in one step, and the completed devices produce high‐quality orbital angular momentum (OAM). Nanocomposite DSA simplifies and streamlines nanofabrication by producing metal structures without etching or deposition steps; it also introduces interparticle coupling as a new design axis. Detailed analysis of the nanoparticle ring assemblies confirms that the supramolecular system self‐regulates the spatial distribution of its components, and thus exhibits a degree of flexibility absent in DSA of BCPs alone, where structures are determined by polymer‐pattern incommensurability. The present studies also provide guidelines for developing self‐regulating DSA as an alternative to incommensurability‐driven methods.

Vargo, Emma↗

DOE OSTI2025

Initial validation of ALFRED: A Monte Carlo code built on Geant4 for TREAT energy deposition

Predicting the energy deposited in the specimen during an experiment in the Transient Reactor Test (TREAT) Facility is a complex problem due to the nature of the transients occurring in the reactor. In addition, the many particles contributing to energy deposition have different behavior in time and space. ALFRED, a new Geant4 based code, is developed to transport and simulate each particle generated in the core. This code is verified against OpenMC (Open Monte Carlo) on the Godiva benchmark and a simple TREAT model. Next, the energy deposition in TREAT is calculated: 181.05 ± 0.01 MeV for the “instantaneous” energy deposition (which accounts for the energy deposited within 1 s after neutron emission) in fuel and 189.90 ± 0.01 MeV for the total energy deposition in fuel. We discuss these results in this paper with previous calculations and experimental evaluations. This work demonstrates ALFRED’s potential as a high-fidelity tool for computing the spatial and temporal energy deposition in TREAT paving the way for a better understanding of the energy coupling factors in TREAT.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Molecular concentration field design using closed-form steady-state solutions

Control over spatial concentration fields represents a fundamental challenge in designing synthetic biological systems and programmable soft materials. While nature creates morphogen gradients that orchestrate complex developmental processes, synthetic approaches have largely relied on empirical optimization and computationally intensive simulations. Here, we present an analytical framework for steady-state concentration fields generated by finite-sized localized sources in diffusion–degradation systems and derive closed-form solutions for one-, two-, and three-dimensional geometries. By expressing these solutions in dimensionless form, we show that gradient steepness and spatial structure are organized by the Thiele modulus, which captures the competition between diffusion and degradation length scales. The analysis reveals distinct design regimes: in degradation-dominated systems, gradient shape is governed by exponential decay and becomes dimension-independent, whereas in diffusion-dominated systems, gradient magnitude and extent follow dimension-dependent power-law scaling. Building on these results, we introduce a quantitative design strategy that uses threshold-based criteria to program concentration ranges by tuning physically accessible parameters, most directly the production rate, while holding transport and degradation properties fixed. Comparisons with numerical solutions and reported experimental systems demonstrate consistency with the predicted scaling behavior. Together, this work provides a generalizable and physically transparent framework for designing steady-state concentration fields in synthetic biological and soft matter systems, enabling predictive control of gradient-mediated organization without reliance on extensive numerical optimization.

Kim, Dong Woo [Johns Hopkins University, Baltimore↗

DOE OSTI2020

Characterization of turbulence under different stability conditions using lidar scanning data

The spatiotemporal scales of turbulence in the boundary layer flow vary with the static stability of the atmosphere. For example, turbulence structures in unstable conditions are often found to be large and coherent, whereas the turbulent structures in stable conditions are relatively small and sporadic. To better understand the behavior of such turbulent structures under different atmospheric stability conditions in the lower atmosphere, herein, we use scanning lidar data collected over several months during the US Department of Energy's second Wind Forecast Improvement Project (WFIP 2) in 2016. The radial velocity data from scanning lidar were gathered along the horizontal plane (PPI mode) and were analyzed using proper orthogonal decomposition (POD) and spectral energy methods. The results from these analyses show that the turbulent structures in daytime unstable conditions are different from those present during nighttime stable conditions in terms of amount of energy and coherent structures. The POD energy is distributed more evenly in all the higher spatial modes in the daytime unstable case compared to the nighttime stable case. Besides characterizing the turbulence in the flow, the lidar data were also used to compare the simulated flow field generated from the WRF-LES framework (Weather Research and Forecasting - large-eddy simulation) with the scanning lidar data. The results from both simulated and lidar scanned data show similar structures orienting the streak-like structure along the mean wind. This indicates that the streak-like structures can exist in the real atmosphere during unstable atmospheric condition cases.

Rai, Raj K.↗

NASA NTRS2012

Ozone-Temperature Diurnal and Longer Term Correlations, in the Lower Thermosphere, Mesosphere and Stratosphere, Based on Measurements from SABER on TIMED

The analysis of mutual ozone-temperature variations can provide useful information on their interdependencies relative to the photochemistry and dynamics governing their behavior. Previous studies have mostly been based on satellite measurements taken at a fixed local time in the stratosphere and lower mesosphere. For these data, it is shown that the zonal mean ozone amounts and temperatures in the lower stratosphere are mostly positively correlated, while they are mostly negatively correlated in the upper stratosphere and in the lower mesosphere. The negative correlation, due to the dependence of photochemical reaction rates on temperature, indicates that ozone photochemistry is more important than dynamics in determining the ozone amounts. In this study, we provide new results by extending the analysis to include diurnal variations over 24 hrs of local time, and to larger spatial regimes, to include the upper mesosphere and lower thermosphere (MLT). The results are based on measurements by the SABER instrument on the TIMED satellite. For mean variations (i.e., averages over local time and longitude) in the MLT, our results show that there is a sharp reversal in the correlation near 80 km altitude, above which the ozone mixing ratio and temperature are mostly positively correlated, while they are mostly negatively correlated below 80 km. This is consistent with the view that above -80 km, effects due to dynamics are more important compared to photochemistry. For diurnal variations, both the ozone and temperature show phase progressions in local time, as a function of altitude and latitude. For temperature, the phase progression is as expected, as they represent migrating tides. For day time ozone, we also find regular phase progression in local time over the whole altitude range of our analysis, 25 to 105 km, at least for low latitudes. This was not previously known, although phase progressions had been noted by us and by others at lower altitudes. For diurnal variations, we find that between about 40 and 65 km, the ozone amounts and temperatures are mostly negatively correlated or neutral, while below approx. 40 km they are mostly positively correlated or neutral. The correlations are less systematic and less robust than for correlations of the mean. At altitudes above approx.65 km, the correlations are more complex, and depend on the tidal temperature variations. For the diurnal case, consideration needs to be given to transport by thermal tides and to the efficacy of response times of ozone concentrations and temperature to each other.

Huang, Frank T.↗

NASA NTRS2012

Level-1C Product from AIRS: Principal Component Filtering

The Atmospheric Infrared Sounder (AIRS), launched on the EOS Aqua spacecraft on May 4, 2002, is a grating spectrometer with 2378 channels in the range 3.7 to 15.4 microns. In a grating spectrometer each individual radiance measurement is largely independent of all others. Most measurements are extremely accurate and have very low noise levels. However, some channels exhibit high noise levels or other anomalous behavior, complicating applications needing radiances throughout a band, such as cross-calibration with other instruments and regression retrieval algorithms. The AIRS Level-1C product is similar to Level-1B but with instrument artifacts removed. This paper focuses on the "cleaning" portion of Level-1C, which identifies bad radiance values within spectra and produces substitute radiances using redundant information from other channels. The substitution is done in two passes, first with a simple combination of values from neighboring channels, then with principal components. After results of the substitution are shown, differences between principal component reconstructed values and observed radiances are used to investigate detailed noise characteristics and spatial misalignment in other channels.

Noise Equivalent delta Temperature (NEdT)↗

NASA NTRS2016

A Satellite Data-Driven, Client-Server Decision Support Application for Agricultural Water Resources Management

Water cycle extremes such as droughts and floods present a challenge for water managers and for policy makers responsible for the administration of water supplies in agricultural regions. In addition to the inherent uncertainties associated with forecasting extreme weather events, water planners need to anticipate water demands and water user behavior in a typical circumstances. This requires the use decision support systems capable of simulating agricultural water demand with the latest available data. Unfortunately, managers from local and regional agencies often use different datasets of variable quality, which complicates coordinated action. In previous work we have demonstrated novel methodologies to use satellite-based observational technologies, in conjunction with hydro-economic models and state of the art data assimilation methods, to enable robust regional assessment and prediction of drought impacts on agricultural production, water resources, and land allocation. These methods create an opportunity for new, cost-effective analysis tools to support policy and decision-making over large spatial extents. The methods can be driven with information from existing satellite-derived operational products, such as the Satellite Irrigation Management Support system (SIMS) operational over California, the Cropland Data Layer (CDL), and using a modified light-use efficiency algorithm to retrieve crop yield from the synergistic use of MODIS and Landsat imagery. Here we present an integration of this modeling framework in a client-server architecture based on the Hydra platform. Assimilation and processing of resource intensive remote sensing data, as well as hydrologic and other ancillary information occur on the server side. This information is processed and summarized as attributes in water demand nodes that are part of a vector description of the water distribution network. With this architecture, our decision support system becomes a light weight 'app' that connects to the server to retrieve the latest information regarding water demands, land use, yields and hydrologic information required to run different management scenarios. Furthermore, this architecture ensures all agencies and teams involved in water management use the same, up-to-date information in their simulations.

Agricultural↗

DOE OSTI2019

Facile Fabrication of a Multifunctional Metal–Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules

To probe the efficient strategy for preparing a multifunctional sensing material, the facile synthesis strategies and successful examples are urgently required. Through the utilization of a hexadentate ligand derived from cyclotriphosphazene, which displays spiral configurations and multiple connection modes, a novel metal–organic framework (MOF) was constructed via one-step synthesis from low-cost raw materials. The presence of multiple interaction sites decorating the helical channels of the reported MOF gives rise to exclusive solvochromic-sensing behavior for small ketone molecules such as acetone, acetophenone, and 2,5-diketohexane. Additionally, the helical structure of a manganese-carboxylate chain allows for the pore volume not only be available for the adsorption of large organic molecules but also enables the enantiopure selective separation of 1-phenylethanol (ee 35.99 %). Furthermore, the structural analysis of the acetophenone-encapsulated sample allowed the solvochromic mechanism to be elucidated, which should be ascribed to the strong hydrogen-bonding interaction between the guest molecules and specific sites on a host matrix. The experimental results have not only clearly manifested the vital role of starting materials of MOFs, including the connection modes and spatial configuration, but also have provided very valuable insight for the future assembly of novel multifunctional sensing materials.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Reconnection from a turbulence perspective

The spectral properties associated with laminar, anti-parallel reconnection are examined using a 2.5D kinetic particle in cell simulation. Both the reconnection rate and the energy spectrum exhibit three distinct phases: an initiation phase where the reconnection rate grows, a quasi-steady phase, and a declining phase where both the reconnection rate and the energy spectrum decrease. During the steady phase, the energy spectrum exhibits approximately a double power law behavior, with a slope near −5/3 at wave numbers smaller than the inverse ion inertial length and a slope steeper than −8/3 for larger wave numbers up to the inverse electron inertial length. This behavior is consistent with a Kolmogorov energy cascade and implies that laminar reconnection may fundamentally be an energy cascade process. Consistent with this idea is the fact that the reconnection rate exhibits a rough correlation with the energy spectrum at wave numbers near the inverse ion inertial length. The 2D spectrum is strongly anisotropic with most energy associated with the wave vector direction normal to the current sheet. Reconnection acts to isotropize the energy spectrum, reducing the Shebalin angle from an initial value of 70° to about 48° (nearly isotropic) by the end of the simulation. The distribution of energy over length scales is further analyzed by dividing the domain into spatial subregions and employing structure functions.

Adhikari, S. (ORCID:0000000321607066)↗

DOE OSTI2025

Possible evidence of excitonic condensation in a topological insulator

The transient excitonic condensate is a nonequilibrium electron-hole Bardeen-Cooper-Schrieffer state in a photoexcited semiconductor and semimetal, where electron-hole pairs undergo a phase transition and condense into a single coherent quantum state. Despite numerous experimental works to realize the predicted excitonic condensation phase, experimental evidence still remains elusive. This is largely due to the absence of direct measurements of a material's transient momentum-dependent electronic structure and the excitonic state in the condensation regime. Here, using time and angle-resolved photoemission spectroscopy, we find direct evidence of a transient excitonic condensate in the spin-polarized spatially indirect excitonic topological states in Bi2Te3. Accompanying the formation of the excitonic topological states by photoexcitation, we reveal a splitting of the hole's and electron's quasi-equilibrium chemical potential followed by the band flattening and backbending of the transient topological surface state. Moreover, within the same momentum range, we report a reshaping of the bulk valence band in the form of a Mexican-hat-like Bogoliubov dispersion-hallmarks of the excitonic condensation, followed by the opening of an energy gap at the Fermi level. The fluence and temperature dependence of these renormalization effects are reminiscent of excitonic condensation within Bardeen-Cooper-Schrieffer (BCS)-like behavior. These results, together with theoretical simulation, point to the possible formation of a transient excitonic condensate and provide opportunities to manipulate topologically protected Bose condensates with light.

ARPES↗

NASA NTRS1982

Spatial and temporal evolution of soft and hard X-ray emission in a solar flare

Hard X-ray burst spectrometer and imaging spectrometer data are used to study the spatial and temporal characteristics of the 3.5-30.0 keV emission in an Apr. 10, 1980 solar flare. It is found that: (1) continuous energy release is needed to sustain the increase of the emission through the flare's rising phase, before and after the impulsive phase in hard X-rays, and the release is characterized by the production of 50 million-150 million K thermal regions within the flare loop structures; (2) the observational parameters which characterize the impulsive burst indicate that it is probably associated with nonthermal processes, such as particle acceleration; and (3) the continuous energy release is associated with strong chromospheric evaporation, in view of spectral line behavior. Both particle acceleration and chromospheric evaporation stop just before flare maximum, and the subsequent evolution is probably governed by the radiative cooling of the flare plasma.

Machado, M. E.↗

NASA NTRS1990

Numerical investigation of laminar-turbulent transition in a flat plate wake

Lamina-turbulent transition of high-deficit flat plate wakes is investigated by direct numerical simulations using the complete Navier Stokes equations. The simulations are based on a spatial model so that both the base flow and the disturbance flow can develop in the downstream direction. The Navier Stokes equations are used in a vorticity-velocity form and are solved using a combination of finite difference and spectral approximations. Fourier series are used in the spanwise direction. Second-order finite-differences are used to approximate the spatial derivatives in the streamwise and transverse directions. For the temporal discretion, a combination of ADI, Crank-Nicolson, and Adams-Bashforth methods is employed. The discretized velocity equations are solved using fast Helmholtz solvers. Code validation is accomplished by comparison of the numerical results to both linear stability and to experiments. Calculations of two- and/or three-dimensional sinuous and mode disturbances in the wake of flat plate are undertaken. For calculations of two-dimensional disturbances, the wake is forced at an amplitude level so that nonlinear disturbance development may be observed. In addition, the forcing amplitude is varied in order to determine its effect on the disturbance behavior. To investigate the onset of three-dimensionality, the wake is forced with a small-amplitude three-dimensional disturbance and a larger amplitude two-dimensional disturbance. The two-dimensional forcing amplitude is varied in order to determine its influence on the three-dimensional flow field.

Fasel, Hermann F.↗

NASA NTRS1999

Waves in the Martian Atmosphere: Results from MGS Radio Occultations

Temperatures retrieved from Mars Global Surveyor radio occultations have been searched for evidence of waves. Emphasis has been on the initial series of occultations between 29 deg N and 64 deg S, obtained during the early martian southern summer, L(sub s) = 264 deg - 308 deg. The profiles exhibit an undulatory behavior that is suggestive of vertically propagating waves. wavelengths approximately 10 km are often dominant, but structure on smaller scales is evident. The undulatory structure is most pronounced between latitudes 29 deg N and 10 deg S, usually in regions of "interesting" topography, e.g., in the Tharsis region and near the edge of Syrtis Major. Several temperature profiles, particularly within 30 deg of the equator, exhibit lapse rates that locally become superadiabatic near the 0.4-mbar level or at higher altitudes. This implies that the waves are "breaking" and depositing horizontal momentum into the atmosphere. Such a deposition may play an important role in modulating the atmospheric winds, and characterizing the spatial and temporal distribution of these momentum transfers can provide important clues to understanding how the global circulation is maintained.

Flasar, F. M.↗