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At least 613 records · Page 34

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DOE OSTI2024

Revolutionizing Materials Design: The Intersection of Quantum Mechanics and Data Modeling

The field of materials design is currently experiencing a notable evolution, driven by the convergence of sophisticated computational methodologies based on first principles and data-driven modeling approaches. I will review our recent endeavors employing AI/ML to expedite first-principles simulations and mitigate traditional methods' temporal and spatial limitations. Central to our efforts is developing and utilizing ML interatomic potentials (MLPs) across a diverse spectrum of materials. We show that MLPs serve as invaluable tools for navigating the complexities of the simulations, such as understanding the behavior of MgO at extreme environments of ~1 terapascal and temperatures >10,000 Kelvin. Moreover, we show that MLPs can provide precise details of the intricate dynamics governing the oxidation processes of binary alloy systems due to the competition between surface segregation and reconstruction tendencies. In summation, advancements in MLPs open the door to fresh possibilities in material modeling and, ultimately, discovery.

Saidi, Wissam↗

NASA NTRS1983

Experimental and analytical studies of a true airspeed sensor

A true airspeed sensor based on the precession of a vortex whistle for sensing airspeeds up to 321.9 km/hr (200 mph). In an attempt to model the complicated fluid mechanics of the vortex precession, three dimensional, inviscid, unsteady, incompressible fluid flow was studied by using the hydrodynamical linearized stability theory. The temporal stability approach was used to derive the relationship between the true airspeed and frequency response. The results show that the frequency response is linearly proportional to the airspeed. A computer program was developed to obtain the numerical solution. Computational results for various parameters were obtained. The designed sensor basically consisted of a vortex tube, a swirler, and a transducer system. A microphone converted the audible tone to an electronic frequency signal. Measurements for both the closed conduit tests and wind tunnel tests were recorded. For a specific flow rate or airspeed, larger exit swirler angles produced higher frequencies. For a smaller cross sectional area in the precessional flow region, the frequency was higher. It was observed that as the airspeed was increased the Strouhal number remained constant.

Goglia, G. L.↗

NASA NTRS1990

Model checking for linear temporal logic: An efficient implementation

This report provides evidence to support the claim that model checking for linear temporal logic (LTL) is practically efficient. Two implementations of a linear temporal logic model checker is described. One is based on transforming the model checking problem into a satisfiability problem; the other checks an LTL formula for a finite model by computing the cross-product of the finite state transition graph of the program with a structure containing all possible models for the property. An experiment was done with a set of mutual exclusion algorithms and tested safety and liveness under fairness for these algorithms.

Sherman, Rivi↗

NASA NTRS1992

Robot Control Based On Spatial-Operator Algebra

Method for mathematical modeling and control of robotic manipulators based on spatial-operator algebra providing concise representation and simple, high-level theoretical frame-work for solution of kinematical and dynamical problems involving complicated temporal and spatial relationships. Recursive algorithms derived immediately from abstract spatial-operator expressions by inspection. Transition from abstract formulation through abstract solution to detailed implementation of specific algorithms to compute solution greatly simplified. Complicated dynamical problems like two cooperating robot arms solved more easily.

Rodriguez, Guillermo↗

NASA NTRS1993

General-Purpose Time-Accurate Adaptive-Grid Method

Adaptive-grid method provides for generation of time-accurate grids used to solve wide variety of problems numerically. Intended use in computation of compressible flows. Part of solution method including algebraic grid-movement scheme; algorithm solving, by use of explicit numerical-integration scheme, Euler equations of unsteady flow; and temporal coupling routine utilizing grid-prediction/correction method to link dynamic grid with Euler-equation-solving algorithm. Improves ability to adapt grid to multiple features of solution and involves use of coarse grid in prediction stage of temporal coupling reducing central-processing-unit cost of obtaining new grid.

Bockelie, Michael J.↗

NASA NTRS2023

Interrogating Solar Flare Loop Models with IRIS Observations 2: Plasma Properties, Energy Transport, and Future Directions

During solar flares a tremendous amount of magnetic energy is released and transported through the Sun’s atmosphere and out into the heliosphere. Despite over a century of study, many unresolved questions surrounding solar flares are still present. Among those are how does the solar plasma respond to flare energy deposition, and what are the important physical processes that transport that energy from the release site in the corona through the transition region and chromosphere? Attacking these questions requires the concert of advanced numerical simulations and high spatial-, temporal-, and spectral-resolution observations. While flares are 3D phenomenon, simulating the NLTE flaring chromosphere in 3D and performing parameter studies of 3D models is largely outwith our current computational capabilities. We instead rely on state-of-the-art 1D field-aligned simulations to study the physical processes that govern flares. Over the last decade, data from the Interface Region Imaging Spectrograph (IRIS) have provided the crucial observations with which we can critically interrogate the predictions of those flare loop models. Here in Paper 2 of a two-part review of IRIS and flare loop models, I discuss how forward modelling flares can help us understand the observations from IRIS, and how IRIS can reveal where our models do well and where we are likely missing important processes, focussing in particular on the plasma properties, energy transport mechanisms, and future directions of flare modelling.

solar flares↗

NASA NTRS2014

Spatio-Temporal Video Segmentation with Shape Growth or Shrinkage Constraint

We propose a new method for joint segmentation of monotonously growing or shrinking shapes in a time sequence of noisy images. The task of segmenting the image time series is expressed as an optimization problem using the spatio-temporal graph of pixels, in which we are able to impose the constraint of shape growth or of shrinkage by introducing monodirectional infinite links connecting pixels at the same spatial locations in successive image frames. The globally optimal solution is computed with a graph cut. The performance of the proposed method is validated on three applications: segmentation of melting sea ice floes and of growing burned areas from time series of 2D satellite images, and segmentation of a growing brain tumor from sequences of 3D medical scans. In the latter application, we impose an additional intersequences inclusion constraint by adding directed infinite links between pixels of dependent image structures.

Segmentation↗

DOE OSTI2025

Bayesian Calibration of Stochastic Agent Based Model via Random Forest

Agent-based models (ABM) provide an excellent framework for modeling outbreaks and interventions in epidemiology by explicitly accounting for diverse individual interactions and environments. However, these models are usually stochastic and highly parametrized, requiring precise calibration for predictive performance. When considering realistic numbers of agents and properly accounting for stochasticity, this high-dimensional calibration can be computationally prohibitive. This paper presents a random forest-based surrogate modeling technique to accelerate the evaluation of ABMs and demonstrates its use to calibrate an epidemiological ABM named CityCOVID via Markov chain Monte Carlo (MCMC). The technique is first outlined in the context of CityCOVID's quantities of interest, namely hospitalizations and deaths, by exploring dimensionality reduction via temporal decomposition with principal component analysis (PCA) and via sensitivity analysis. The calibration problem is then presented, and samples are generated to best match COVID-19 hospitalization and death numbers in Chicago from March to June in 2020. Further, these results are compared with previous approximate Bayesian calibration (IMABC) results, and their predictive performance is analyzed, showing improved performance with a reduction in computation.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

TANTE: Time-adaptive operator learning via neural Taylor expansion

Operator learning for time-dependent partial differential equations (PDEs) has seen rapid progress in recent years, enabling efficient approximation of complex spatiotemporal dynamics. However, most existing methods rely on fixed time step sizes during rollout, which limits their ability to adapt to varying temporal complexity and often leads to error accumulation. In this work, we propose the Time-Adaptive Transformer with Neural Taylor Expansion (TANTE), a novel operator-learning framework that produces continuous-time predictions with adaptive step sizes. TANTE predicts future states by performing a Taylor expansion at the current state, where neural networks learn both the higher-order temporal derivatives and the local radius of convergence. This allows the model to dynamically adjust its rollout based on the local behavior of the solution, thereby reducing cumulative error and improving computational efficiency. We demonstrate the effectiveness of TANTE across a wide range of PDE benchmarks, achieving superior accuracy and adaptability compared to fixed-step baselines, delivering accuracy gains of 60-80 % and speed-ups of 30-40 % at inference time.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1974

Application of ERTS-1 imagery to land use, forest density and soil investigations in Greece

Photographic and digital imagery received from ERTS-1 was analyzed and evaluated as to its usefulness for the assessment of agricultural and forest land resources. Black and white, and color composite imagery provided spectral and spatial data, which, when matched with temporal land information, provided the basis for a semidetailed land use and forest site evaluation cartography. Color composite photographs have provided some information on the status of irrigation of agricultural lands. Computer processed digital imagery was successfully used for detailed crop classification and semidetailed soil evaluation. The results and techniques of this investigation are applicable to ecological and geological conditions similar to those prevailing in the Eastern Mediterranean.

Yassoglou, N. J.↗

NASA NTRS1978

The effects of quantization on signal processing

Typically an analog signal from a space system is sampled, quantized by Analog-to-Digital (A/D) conversion, merged into a bit stream, communicated to a ground station, received by the ground station, and processed by the ground station to extract useful information for dissemination to the users. The cost of each of these steps is reduced as the number of quantization steps is reduced in the A/D converter. The number of quantization steps should be as small as possible without losing the required information content. This report deals specifically with the accuracy of averages as a function of the number of quantized samples used to compute the averages with the noise on the analog signal as a parameter. For example, the success of the Visible Infrared Spin Scan Radiometer (VISSR) Atmospheric Sounder (VAS) Demonstration depends upon temporally averaging multiple samples in an effort to reduce noise to a sufficiently low level such that temperature profile sounding is made possible. A tutorial description of this process is presented.

Montgomery, H. E.↗

NASA NTRS1987

Impulsive H-alpha diagnostics of electron-beam-heated solar flare model chromospheres

Time-dependent H-alpha profiles were computed for the dynamic model atmospheres of Fisher, Canfield, and McClymont (1985) simulating the effects of an intense impulsively initiated power-law beam of electrons incident on the chromosphere. The temporal response of H-alpha arises from three separate physical mechanisms, whose relative importance varies over the line profile. The fastest variations (typically less than 0.1 s for the explosive heating discussed here) arise from energy imbalance; these are apparent on chromospheric heating and cooling time scales and have their greatest amplitude at line center. Slower variations arise from ionization imbalance and are most apparent in the blue wing. The slowest variations arise from hydrodynamic effects and are related to the formation of a chromospheric condensation; these are most apparent in the red wing. These results provide a basis for the design and analysis of observations of H-alpha, in coordination with hard X-rays or microwaves, to test mechanisms of energy transport in solar flares.

Canfield, Richard C.↗

NASA NTRS1991

Pitch-angle scattering of cometary ions - Computer simulations

The relationships between the rate of pitch-angle scattering induced by wave-particle interactions and two parameters, alpha, and the cometary ion interjection rate, Lambda-j, are studied with the aid of one-dimensional electromagnetic hybrid computer simulations of homogeneous plasmas. The simulations are done with relatively weak ion injection rates commensurate with those in the distant environment of the Comet Halley. In response to the linear temporal growth of the fluctuating magnetic field energy, the injected ions pitch-angle scatter toward isotropy in both the quasi-parallel and quasi-perpendicular regimes. For the injection of cometary oxygen ions, the simulations show pitch-angle scattering rates that increase as the square root of the injection rate. The oxygen ion pitch-angle scattering rates are roughly twice as large at perpendicular injection, again in qualitative agreement with observations.

Gary, S. P.↗

NASA NTRS1992

Direct simulation of high-speed mixing layers

A computational study of a nonreacting high-speed mixing layer is performed. A higher order algorithm with sufficient grid points is used to resolve all relevant scales. In all cases, a temporal free-stream disturbance is introduced. The resulting flow is time-sampled to generate a statistical cross section of the flow properties. The studies are conducted at two convective Mach numbers, three free-stream turbulence intensities, three Reynolds numbers, and two types of initial profiles-hyperbolic tangent (tanh) and boundary layer. The boundary-layer profile leads to more realistic predictions of the transition processes. The predicted transition Reynolds number of 0.18 x 10(exp 6) compares well with experimental data. Normalized vortex spacings for the boundary-layer case are about 3.5 and compare favorably with the 1.5 to 2.5 found in experimental measurements. The tanh profile produces spacings of about 10. The growth rate of the layer is shown to be moderately affected by the initial disturbance field, but comparison with experimental data shows moderate agreement. For the boundary-layer case, it is shown that noise at the Strouhal number of 0.007 is selectively amplified and shows little Reynolds number dependence.

Mukunda, H. S.↗

NASA NTRS1995

Regional scale evaporation and the atmospheric boundary layer

In this review we briefly summarize some current models of evaporation and the atmospheric boundary layer (ABL) and discuss new experimental and computational oppurtunities that may aid our understanding of evaporation at these larger scales. In particular, consideration is given to remote sensing of the atmosphere, computational fluid dynamics and the role numerical models can play in understanding land-atmosphere interactions. These powerful modeling and measurement tools are allowing us to visualize and study spatial and temporal scales previously untouched, thereby increasing the oppurtunities to improve our understanding of land-atmosphere interaction.

Parlange, Marc B.↗

NASA NTRS1995

Morphology and kainate-receptor immunoreactivity of identified neurons within the entorhinal cortex projecting to superior temporal sulcus in the cynomolgus monkey

Projections of the entorhinal cortex to the hippocampus are well known from the classical studies of Cajal (Ramon y Cajal, 1904) and Lorente de No (1933). Projections from the entorhinal cortex to neocortical areas are less well understood. Such connectivity is likely to underlie the consolidation of long-term declarative memory in neocortical sites. In the present study, a projection arising in layer V of the entorhinal cortex and terminating in a polymodal association area of the superior temporal gyrus has been identified with the use of retrograde tracing. The dendritic arbors of neurons giving rise to this projection were further investigated by cell filling and confocal microscopy with computer reconstruction. This analysis demonstrated that the dendritic arbor of identified projection neurons was largely confined to layer V, with the exception of a solitary, simple apical dendrite occasionally ascending to superficial laminae but often confined to the lamina dissecans (layer IV). Finally, immunoreactivity for glutamate-receptor subunit proteins GluR 5/6/7 of the dendritic arbor of identified entorhinal projection neurons was examined. The solitary apical dendrite of identified entorhinal projection neurons was prominently immunolabeled for GluR 5/6/7, as was the dendritic arbor of basilar dendrites of these neurons. The restriction of the large bulk of the dendritic arbor of identified entorhinal projection neurons to layer V implies that these neurons are likely to be heavily influenced by hippocampal output arriving in the deep layers of the entorhinal cortex. Immunoreactivity for GluR 5/6/7 throughout the dendritic arbor of such neurons indicates that this class of glutamate receptor is in a position to play a prominent role in mediating excitatory neurotransmission within hippocampal-entorhinal circuits.

NASA Discipline Neuroscience↗

NASA NTRS2004

Spatially Complete Global Surface Albedos Derived from Terra/MODIS Data

Spectral land surface albedo is an important parameter for describing the radiative properties of the Earth. Accordingly it reflects the consequences of natural and human interactions, such as anthropogenic, meteorological, and phenological effects, on global and local climatological trends. Consequently, albedos are integral parts in a variety of research areas, such as general circulation models (GCMs), energy balance studies, modeling of land use and land use change, and biophysical, oceanographic, and meteorological studies. Recent production of land surface anisotropy, diffuse bihemispherical (white-sky) albedo and direct beam directional hemispherical (black-sky) albedo from observations acquired by the MODIS instruments aboard NASA s Terra and Aqua satellite platforms have provided researchers with unprecedented spatial, spectral, and temporal information on the land surface's radiative characteristics. Cloud cover, which cutails retrievals, and the presence of ephemeral and seasonal snow limit the snow-free data to approximately half the global land surfaces on an annual equal-angle basis. This precludes the MOD43B3 albedo products from being used in some remote sensing and ground-based applications, climate models, and global change research projects. An ecosystem-dependent temporal interpolation technique is described that has been developed to fill missing or seasonally snow-covered data in the official MOD43B3 albedo product. The method imposes pixel-level and local regional ecosystem-dependent phenological behavior onto retrieved pixel temporal data in such a way as to maintain pixel-level spatial and spectral detail and integrity. The phenological curves are derived from statistics based on the MODIS MOD12Q1 IGBP land cover classification product geolocated with the MOD43B3 data. The resulting snow-free value-added products provide the scientific community with spatially and temporally complete global white- and black-sky surface albedo maps and statistics. These products are stored on 1'(approximately 10 km) and coarser resolution equal-angle grids, and are computed for the first seven MODIS wavelengths, ranging from 0.47 through 2.1 microns, and for three broadband wavelengths, 0.3-0.7,0.3-5.0 and 0.7-5.0 microns.

King, Michael D.↗

NASA NTRS2020

Quantifying Spatiotemporal Variability of Glacier Algal Blooms and the Impact on Surface Albedo in Southwestern Greenland

Albedo reduction due to light-absorbing impurities can substantially enhance ice sheet surface melt by increasing surface absorption of solar energy. Glacier algae have been suggested to play a critical role in darkening the ablation zone in southwestern Greenland. It was very recently found that the Sentinel-3 Ocean and Land Colour Instrument (OLCI) band ratio R709 nm∕R673 nm can characterize the spatial patterns of glacier algal blooms. However, Sentinel-3 was launched in 2016, and current data are only available over three melting seasons (2016–2019). Here, we demonstrate the capability of the MEdium Resolution Imaging Spectrometer (MERIS) for mapping glacier algae from space and extend the quantification of glacier algal blooms over southwestern Greenland back to the period 2004–2011. Several band ratio indices (MERIS chlorophyll a indices and the impurity index) were computed and compared with each other. The results indicate that the MERIS two-band ratio index (2BDA) R709 nm∕R665 nm is very effective in capturing the spatial distribution and temporal dynamics of glacier algal growth on bare ice in July and August. We analyzed the interannual (2004–2011) and summer (July–August) trends of algal distribution and found significant seasonal and interannual increases in glacier algae close to the Jakobshavn Isbrae Glacier and along the middle dark zone between the altitudes of 1200 and 1400 m. Using broadband albedo data from the Moderate Resolution Imaging Spectroradiometer (MODIS), we quantified the impact of glacier algal growth on bare ice albedo, finding a significant correlation between algal development and albedo reduction over algae-abundant areas. Our analysis indicates the strong potential for the satellite algal index to be used to reduce bare ice albedo biases in regional climate model simulations.

surface albedo↗