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At least 1,423 records · Page 79

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NASA NTRS2010

RANS Modeling of Benchmark Shockwave / Boundary Layer Interaction Experiments

This presentation summarizes the computations of a set of shock wave / turbulent boundary layer interaction (SWTBLI) test cases using the Wind-US code, as part of the 2010 American Institute of Aeronautics and Astronautics (AIAA) shock / boundary layer interaction workshop. The experiments involve supersonic flows in wind tunnels with a shock generator that directs an oblique shock wave toward the boundary layer along one of the walls of the wind tunnel. The Wind-US calculations utilized structured grid computations performed in Reynolds-averaged Navier-Stokes mode. Three turbulence models were investigated: the Spalart-Allmaras one-equation model, the Menter Shear Stress Transport wavenumber-angular frequency two-equation model, and an explicit algebraic stress wavenumber-angular frequency formulation. Effects of grid resolution and upwinding scheme were also considered. The results from the CFD calculations are compared to particle image velocimetry (PIV) data from the experiments. As expected, turbulence model effects dominated the accuracy of the solutions with upwinding scheme selection indicating minimal effects.!

Georgiadis, Nick↗

DOE OSTI2024

Adaptive finite differencing in high accuracy electronic structure calculations

Abstract A multi-order Adaptive Finite Differencing (AFD) method is developed for the kinetic energy operator in real-space, grid-based electronic structure codes. It uses atomic pseudo orbitals produced by the corresponding pseudopotential codes to optimize the standard finite difference (SFD) operators for improved precision. Results are presented for a variety of test systems and Bravais lattice types, including the well-known Δ test for 71 elements in the periodic table, the Mott insulator NiO, and borax decahydrate, which contains covalent, ionic, and hydrogen bonds. The tests show that an 8th-order AFD operator leads to the same average Δ value as that achieved by plane-wave codes and is typically far more accurate and has a much lower computational cost than a 12th-order SFD operator. The scalability of real-space electronic calculations is demonstrated for a 2016-atom NiO cell, for which the computational time decreases nearly linearly when scaled from 18 to 144 CPU-GPU nodes.

Briggs, E. L. (ORCID:0000000343983492)↗

DOE OSTI2021

Spectral properties of three-dimensional Anderson model

The three-dimensional Anderson model represents a paradigmatic model to understand the Anderson localization transition. In this work we first review some key results obtained for this model in the past 50 years, and then study its properties from the perspective of modern numerical approaches. Our main focus is on the quantitative comparison between the level sensitivity statistics and the level statistics. While the former studies the sensitivity of Hamiltonian eigenlevels upon inserting a magnetic flux, the latter studies the properties of unperturbed eigenlevels. We define two versions of dimensionless conductance, the first corresponding to the width of the level curvature distribution relative to the mean level spacing, and the second corresponding to the ratio of the Heisenberg time and the Thouless time obtained from the spectral form factor. We show that both conductances look remarkably similar around the localization transition, in particular, they predict a nearly identical critical point consistent with other well-established measures of the transition. We then study some further properties of those quantities: for level curvatures, we discuss particular similarities and differences between the width of the level curvature distribution and the characteristic energy studied by Edwards and Thouless (1972) in their pioneering work, in which the hopping at one lattice edge is changed from periodic to antiperiodic boundary conditions. In the context of the spectral form factor, we show that at the critical point it enters a broad time-independent regime, in which its value is consistent with the level compressibility obtained from the level variance. Finally, we test the scaling solution of the average level spacing ratio in the crossover regime using the cost function minimization approach introduced recently in Šuntajs et al. (2020). The latter approach seeks for the optimal scaling solution in the vicinity of the crossing point, while at the same time it allows for the crossing point to drift due to finite-size corrections. We find that the extracted transition point and the scaling coefficient agree with those from the literature to high numerical accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

CovTransformer: A transformer model for SARS-CoV-2 lineage frequency forecasting

With hundreds of SARS-CoV-2 lineages circulating in the global population, there is an ongoing need for predicting and forecasting lineage frequencies and thus identifying rapidly expanding lineages. Accurate prediction would allow for more focused experimental efforts to understand pathogenicity of future dominating lineages and characterize the extent of their immune escape. Here, we first show that the inherent noise and biases in lineage frequency data make a commonly-used regression-based approach unreliable. To address this weakness, we constructed a machine learning model for SARS-CoV-2 lineage frequency forecasting, called CovTransformer, based on the transformer architecture. We designed our model to navigate challenges such as a limited amount of data with high levels of noise and bias. We first trained and tested the model using data from the UK and the USA, and then tested the generalization ability of the model to many other countries and US states. Remarkably, the trained model makes accurate predictions two months into the future with high levels of accuracy both globally (in 31 countries with high levels of sequencing effort) and at the US-state level. Our model performed substantially better than a widely used forecasting tool, the multinomial regression model implemented in Nextstrain, demonstrating its utility in SARS-CoV-2 monitoring. Assuming a newly emerged lineage is identified and assigned, our test using retrospective data shows that our model is able to identify the dominating lineages 7 weeks in advance on average before they became dominant. Overall, our work demonstrates that transformer models represent a promising approach for SARS-CoV-2 forecasting and pandemic monitoring.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Refinements for Bragg coherent X-ray diffraction imaging: electron backscatter diffraction alignment and strain field computation

Bragg coherent X-ray diffraction imaging (BCDI) allows the 3D measurement of lattice strain along the scattering vector for specific microcrystals. If at least three linearly independent reflections are measured, the 3D variation of the full lattice strain tensor within the microcrystal can be recovered. However, this requires knowledge of the crystal orientation, which is typically attained via estimates based on crystal geometry or synchrotron microbeam Laue diffraction measurements. Presented here is an alternative method to determine the crystal orientation for BCDI measurements using electron backscatter diffraction (EBSD) to align Fe–Ni and Co–Fe alloy microcrystals on three different substrates. The orientation matrix is calculated from EBSD Euler angles and compared with the orientation determined using microbeam Laue diffraction. The average angular mismatch between the orientation matrices is less than ∼6°, which is reasonable for the search for Bragg reflections. The use of an orientation matrix derived from EBSD is demonstrated to align and measure five reflections for a single Fe–Ni microcrystal via multi-reflection BCDI. Using this data set, a refined strain field computation based on the gradient of the complex exponential of the phase is developed. This approach is shown to increase accuracy, especially in the presence of dislocations. The results demonstrate the feasibility of using EBSD to pre-align BCDI samples and the application of more efficient approaches to determine the full lattice strain tensor with greater accuracy.

42 ENGINEERING↗

NASA NTRS1975

Advanced Recording and Preprocessing of Physiological Signals

The measurement of the volume flow-rate of blood in an artery or vein requires both an estimate of the flow velocity and its spatial distribution and the corresponding cross-sectional area. Transcutaneous measurements of these parameters can be performed using ultrasonic techniques that are analogous to the measurement of moving objects by use of a radar. Modern digital data recording and preprocessing methods were applied to the measurement of blood-flow velocity by means of the CW Doppler ultrasonic technique. Only the average flow velocity was measured and no distribution or size information was obtained. Evaluations of current flowmeter design and performance, ultrasonic transducer fabrication methods, and other related items are given. The main thrust was the development of effective data-handling and processing methods by application of modern digital techniques. The evaluation resulted in useful improvements in both the flowmeter instrumentation and the ultrasonic transducers. Effective digital processing algorithms that provided enhanced blood-flow measurement accuracy and sensitivity were developed. Block diagrams illustrative of the equipment setup are included.

Bentley, P. B.↗

NASA NTRS1999

Quantifying BRDF Effects in Comparing Landsat-7 and AVIRIS Near-Simultaneous Acquisitions for Studies of High Plains Vegetation Cover

Approximately 100,000 sq. km of the High Plains of the central United States are covered by sand dunes and sand sheets deposited during the Holocene. Soil-dating evidence shows that there were at least four periods of dune reactivation during major droughts in the last 10,000 years. The dunes in this region are anchored by vegetation. We have undertaken a study of land-use change in the High Plains from 1985 to the present using Landsat 5 TM and Landsat 7 ETM+ images to map variation in vegetation cover during wet and dry years. Mapping vegetation cover of less than 20% is important in modeling potential surface reactivation since at this level the vegetation no longer sufficiently shields sandy surfaces from movement by wind. Landsat TM data have both the spatial resolution and temporal coverage to facilitate vegetation cover analysis for model development and verification. However, there is still the question of how accurate TM data are for the measurement of both growing and senescent vegetation in and and semi-arid regions. AVIRIS provides both high spectral resolution as well as high signal-to-noise ratio and can be used to test the accuracy of Landsat TM and ETM+ data. We have analyzed data from AVIRIS flown nearly concurrently with a Landsat 7 overpass. The comparison between an AVIRIS image swath of 11 km width subtending a 30 deg. angle and the same area covered by a 0.8 deg. angle from Landsat required accounting for the BRDF. A normalization technique using the ratio of the reflectances from registered AVIRIS and Landsat data proved superior to the techniques of column averaging on AVIRIS data alone published previously by Kennedy et al. This technique can be applied to aircraft data covering a wider swath angle than AVIRIS to develop BRDF responses for a wide variety of surfaces more efficiently than from ground measurements.

Goetz, A. F. H.↗

NASA NTRS2012

Climatology 2011: An MLS and Sonde Derived Ozone Climatology for Satellite Retrieval Algorithms

The ozone climatology used as the a priori for the version 8 Solar Backscatter Ultraviolet (SBUV) retrieval algorithms has been updated. The Microwave Limb Sounder (MLS) instrument on Aura has excellent latitude coverage and measures ozone daily from the upper troposphere to the lower mesosphere. The new climatology consists of monthly average ozone profiles for ten degree latitude zones covering pressure altitudes from 0 to 65 km. The climatology was formed by combining data from Aura MLS (2004-2010) with data from balloon sondes (1988-2010). Ozone below 8 km (below 12 km at high latitudes) is based on balloons sondes, while ozone above 16 km (21 km at high latitudes) is based on MLS measurements. Sonde and MLS data are blended in the transition region. Ozone accuracy in the upper troposphere is greatly improved because of the near uniform coverage by Aura MLS, while the addition of a large number of balloon sonde measurements improves the accuracy in the lower troposphere, in the tropics and southern hemisphere in particular. The addition of MLS data also improves the accuracy of climatology in the upper stratosphere and lower mesosphere. The revised climatology has been used for the latest reprocessing of SBUV and TOMS satellite ozone data.

McPeters, Richard D.↗

NASA NTRS2010

Analysis of AIRS and IASI System Performance Under Clear and Cloudy Conditions

The radiometric and spectral system performance of space-borne infrared radiometers is generally specified and analyzed under strictly cloud-free, spatially uniform and warm conditions, with the assumption that the observed performance applies to the full dynamic range under clear and cloudy conditions and that random noise cancels for the evaluation of the radiometric accuracy. Such clear conditions are found in only one percent of the data. Ninety nine percent of the data include clouds, which produce spatially highly non-uniform scenes with 11 micrometers window brightness temperatures as low as 200K. We use AIRS and IASI radiance spectra to compare system performance under clear and a wide range of cloudy conditions. Although the two instruments are in polar orbits, with the ascending nodes separated by four hours, daily averages already reveal surprisingly similar measurements. The AIRS and IASI radiometric performance based on the mean of large numbers of observation is comparable and agrees within 200 mK over a wide range of temperatures. There are also some unexpected differences at the 200 -500 mK level, which are of significance for climate applications. The results were verified with data from July 2007 through January 2010, but many can already be gleaned from the analysis of a single day of data.

hyperspectral↗

NASA NTRS2022

Ensemble Simulations of the 2012 July 12 Coronal Mass Ejection with the Constant-turn Flux Rope Model

Flux-rope-based magnetohydrodynamic modeling of coronal mass ejections (CMEs) is a promising tool for prediction of the CME arrival time and magnetic field at Earth. In this work, we introduce a constant-turn flux rope model and use it to simulate the 2012 July 12 16:48 CME in the inner heliosphere. We constrain the initial parameters of this CME using the graduated cylindrical shell (GCS) model and the reconnected flux in posteruption arcades. We correctly reproduce all the magnetic field components of the CME at Earth, with an arrival time error of approximately 1 hr. We further estimate the average subjective uncertainties in the GCS fittings by comparing the GCS parameters of 56 CMEs reported in multiple studies and catalogs. We determined that the GCS estimates of the CME latitude, longitude, tilt, and speed have average uncertainties of 5°.74, 11°.23, 24°.71, and 11.4%, respectively. Using these, we have created 77 ensemble members for the 2012 July 12 CME. We found that 55% of our ensemble members correctly reproduce the sign of the magnetic field components at Earth. We also determined that the uncertainties in GCS fitting can widen the CME arrival time prediction window to about 12 hr for the 2012 July 12 CME. On investigating the forecast accuracy introduced by the uncertainties in individual GCS parameters, we conclude that the half-angle and aspect ratio have little impact on the predicted magnetic field of the 2012 July 12 CME, whereas the uncertainties in longitude and tilt can introduce relatively large spread in the magnetic field predicted at Earth.

Talwinder Singh↗

NASA NTRS2019

Bounding Methods for Heterogeneous Lidar-derived Navigational Geofences

Safe Unmanned Aerial Vehicle (UAV) operations near the ground require navigation methods that avoid fixed obstacles such as buildings, power lines and trees. Aerial lidar surveys of ground structures are available with the precision and accuracy to geolocate obstacles, but the high volume of raw survey data can exceed the compute power of onboard processors and the rendering ability of ground-based flight planning maps. Representing ground structures with bounding polyhedra instead of point clouds greatly reduces the data size and can enable effective obstacle avoidance, as long as the bounding geometry envelopes the structures with high spatial fidelity. This report describes in detail four methods to compute bounding geometries of ground obstacles from lidar point clouds. The four methods are: 1) 2.5D Maximum Elevation Box, 2) 2.5D Ground Map Extrusion, 3) 3D Bounding Cylinder, and 4) 3D Bounding Box. The methods are applied to five point cloud datasets from lidar surveys of UAV flight research sites in Georgia and Virginia with an average point spacing that ranges from 0.1m to 0.6m. The methods are assessed using survey areas with geometrically heterogeneous ground structures: buildings, vegetation, power lines, and sub-meter structures such as road signs and guy wires. The 2.5D Maximum Elevation Box method is useful for simple structures. The 2.5D Ground Map Extrusion method efficiently encloses vegetation, but requires handdrawn ground footprints. The 3D Bounding Cylinder method excels at enclosing linear structures such as power lines and fences. The 3D Bounding Box method excels at enclosing planar structures such as buildings. The methods are compared on the basis of data compression and boundary fidelity on selected areas. The 2.5D methods yield the highest data compression but the polyhedra produced by them enclose significant amounts of empty space. Boundary fidelity is superior for the 3D methods, though this fidelity comes at the cost of a roughly thirtyfold lower data compression ratio than the 2.5D Maximum Elevation Box method. A mix of these output geometries is proposed for autonomous UAV navigation with limited on-board computing. Both the accuracy and spatial detail of emerging satellite-based survey technology lower than that of aerial lidar scanning survey technology. Sub-meter structures and thin linear structures are not reliably mapped at present by satellite-based surveys.

Moore, Andrew J.↗

DOE OSTI2023

Studying excited-state-specific perturbation theory on the Thiel set

Here, we explore the performance of a recently introduced N 5 -scaling excited-state-specific second order perturbation theory (ESMP2) on the singlet excitations of the Thiel benchmarking set. We find that, without regularization, ESMP2 is quite sensitive to π system size, performing well in molecules with small π systems but poorly in those with larger π systems. With regularization, ESMP2 is far less sensitive to π system size and shows a higher overall accuracy on the Thiel set than CC2, equation of motion-coupled cluster with singles and doubles, CC3, and a wide variety of time-dependent density functional approaches. Unsurprisingly, even regularized ESMP2 is less accurate than multi-reference perturbation theory on this test set, which can, in part, be explained by the set’s inclusion of some doubly excited states but none of the strong charge transfer states that often pose challenges for state-averaging. Beyond energetics, we find that the ESMP2 doubles norm offers a relatively low-cost way to test for doubly excited character without the need to define an active space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Direct Numerical Simulation of the Flow through a Randomly Packed Pebble Bed

The proposition for molten salt and high-temperature gas-cooled reactors has increased the focus on the dynamics and physics in randomly packed pebble beds. Research is being conducted on the validity of these designs as a possible contestant for the fourth-generation nuclear power systems. A detailed understanding of the coolant flow behavior is required in order to ensure proper cooling of the reactor core during normal and accident conditions. In order to increase the understanding of the flow through these complex geometries and enhance the accuracy of lower-fidelity modeling, high-fidelity approaches such as direct numerical simulation (DNS) can be utilized. Nek5000, a spectral-element computational fluid dynamics (CFD) code, was used to develop DNS fluid flow data. The flow domain consisted of 147 pebbles enclosed by a bounding wall. In the work presented, the Reynolds numbers ranged from 430 to 1050 based on the pebble diameter and inlet velocity. Characteristics of the flow domain such as volume averaged porosity, axial porosity, and radial porosity were studied and compared with correlations available in the literature. Friction factors from the DNS results for all Reynolds numbers were compared with correlations in the literature. The first- and second-order statistics show good agreement with the available experimental data. Turbulence length scales were analyzed in the flow. Reynolds stress anisotropy was characterized by utilizing invariant analysis. Overall, the results of the analysis in this study provide deeper understanding of the flow behavior and the effect of the wall in packed beds.

Yildiz, Mustafa Alper↗

NASA NTRS1978

Finite element concepts in computational aerodynamics

Finite element theory was employed to establish an implicit numerical solution algorithm for the time averaged unsteady Navier-Stokes equations. Both the multidimensional and a time-split form of the algorithm were considered, the latter of particular interest for problem specification on a regular mesh. A Newton matrix iteration procedure is outlined for solving the resultant nonlinear algebraic equation systems. Multidimensional discretization procedures are discussed with emphasis on automated generation of specific nonuniform solution grids and accounting of curved surfaces. The time-split algorithm was evaluated with regards to accuracy and convergence properties for hyperbolic equations on rectangular coordinates. An overall assessment of the viability of the finite element concept for computational aerodynamics is made.

Baker, A. J.↗

NASA NTRS1979

Sampling for area estimation: A comparison of full-frame sampling with the sample segment approach

The effect of sampling on the accuracy (precision and bias) of crop area estimates made from classifications of LANDSAT MSS data was investigated. Full-frame classifications of wheat and non-wheat for eighty counties in Kansas were repetitively sampled to simulate alternative sampling plants. Four sampling schemes involving different numbers of samples and different size sampling units were evaluated. The precision of the wheat area estimates increased as the segment size decreased and the number of segments was increased. Although the average bias associated with the various sampling schemes was not significantly different, the maximum absolute bias was directly related to sampling unit size.

Hixson, M. M.↗

NASA NTRS1987

Theoretical analysis of aircraft afterbody flow

Computational methods solving the thin shear layer formulation of the compressible, Reynolds-averaged Navier-Stokes equations are presently used to investigate the strongly interactive flow field about aircraft afterbodies. Solutions for a variety of axisymmetric afterbody and nozzle geometries are solved by means of a time-dependent implicit numerical algorithm for both subsonic and supersonic external flows, and the results obtained are compared with experimental data. A novel adaptive-grid technique is used to resolve flow regimes having large gradients, as well as to improve the accuracy and efficiency of the computational scheme.

Deiwert, George S.↗

NASA NTRS2013

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel fl ow problem.

Morris, C. I.↗

NASA NTRS2013

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

Morris, Christopher I.↗