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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

The Nucleus of Comet 9P-Tempel 1: Shape and Geology from Two Flybys

The nucleus of comet Tempel 1 has been investigated at close range during two spacecraft missions separated by one comet orbit of the Sun, 5 1/2 years. The combined imaging covers 70% of the surface of this object which has a mean radius of 2.83 +/- 0.1 km. The surface can be divided into two terrain types: rough, pitted terrain and smoother regions of varying local topography. The rough surface has round depressions from resolution limits (10 m/pixel) up to 1 km across, spanning forms from crisp steep-walled pits, to subtle albedo rings, to topographic rings, with all ranges of morphologic gradation. Three gravitationally low regions of the comet have smoother terrain, parts of which appear to be deposits from minimally modified flows, with other parts likely to be heavily eroded portions of multiple layer piles. Changes observed between the two missions are primarily due to backwasting of scarps bounding one of these probable flow deposits. This style of erosion is also suggested by remnant mesa forms in other areas of smoother terrain. The two distinct terrains suggest either an evolutionary change in processes, topographically- controlled processes, or a continuing interaction of erosion and deposition.

geological↗
DOE OSTI2021

DART-PFLOTRAN: An ensemble-based data assimilation system for estimating subsurface flow and transport model parameters

Ensemble-based Data Assimilation (EDA), based on the Monte Carlo approach, has been effectively applied to estimate model parameters through inverse modeling in subsurface flow and transport problems. However, implementation of EDA approach involves a complicated workflow that include setting up and executing ensemble forward model simulations, processing observations and model simulation results for parameter updates, and repeat for sequential or iterative EDA. To facilitate the management of such workflow and lower the barriers for adopting EDA-based parameter estimation in subsurface science, we develop a generic software frame-work linking the Data Assimilation Research Testbed (DART) with a massively parallel subsurface FLOw and TRANsport code PFLOTRAN. The new DART-PFLOTRAN leverages both the core data assimilation engines in DART and the computational power afforded by PFLOTRAN. In addition to the standard smoother and filtering options, DART-PFLOTRAN enables an iterative EDA workflow based on the Ensemble Smoother for Multiple Data Assimilation method (ES-MDA) to improve estimation accuracy for nonlinear forward problems. Here, we verify the implementation of ES-MDA in DART-PFLOTRAN using two synthetic cases designed to estimate static permeability and dynamic exchange fluxes across the riverbed, respectively, from continuous temperature measurements made across a depth profile. One-dimensional hydro-thermal simulations are performed in both cases to relate temperature responses with the parameters of interest. In the case of estimating dynamic parameters, we demonstrate the flexibility of DART-PFLOTRAN in automating sequential ES-MDA workflow, which will significantly reduce the time researchers spend on managing complex workflows in similar applications. Both studies yield accurate estimations of the parameters compared to their synthetic truth, while ES-MDA leads to more accurate estimation when a high level of nonlinearity exist between observed responses and unknown parameters. With a code base in Python and Fortran, DART-PFLOTRAN paves the way for applications in large-scale subsurface inverse modeling by automating the complex workflow of sequential ES-MDA that can be executed on various computing platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

An Efficient High-Order Solver for Diffusion Equations with Strong Anisotropy on Non-Anisotropy-Aligned Meshes

This paper concerns numerical solution of the diffusion equation with strong anisotropy on meshes not aligned with the anisotropic vector field. In order to resolve the numerical pollution for simulations on a non-anisotropy-aligned mesh and reduce the associated high computational cost we propose an effective preconditioner, extending our previous work. Similar to the anisotropy-aligned mesh case, we apply the auxiliary space preconditioning framework to design a preconditioner where a continuous finite element space is used as the auxiliary space for the discontinuous finite element space. The key component is an effective line smoother that can mitigate the high-frequency errors perpendicular to the magnetic field. We design a graph-based approach to find such a line smoother that is approximately perpendicular to the vector fields when the mesh does not align with the anisotropy. Finally, numerical experiments for several benchmark problems are presented, demonstrating the effectiveness and robustness of the proposed preconditioner when applied to Krylov iterative methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Edge‐Driven Fringe‐Field Effects, Reduced Screening, and Bandgap Widening in Graphene Nanoribbons Enable Single‑Molecule Sensitivity

Graphene nanoribbons (GNRs) offer promising platforms for single‐molecule sensing due to their quasi‐1D channels and discrete electronic states, providing superior sensitivity toward molecular perturbations. While prior studies emphasize smoother edges as essential for optimal performance, the potential benefits of controlled edge roughness remain largely unexplored. Additionally, most investigations focus on GNR arrays, leaving critical edge‐ and width‐dependent factors, including fringe fields, bandgap widening, interactions between adsorbing molecules and GNR atoms, density of states (DOS) suppression, and electrostatic screening lengths, and their collective impact on sensitivity, poorly understood. Here, in this work, we fabricated field‐effect transistors using individual GNRs (widths: 200–20 nm) and characterized their response to molecular adsorption with perfluorooctanoic acid as the model analyte. Narrower ribbons displayed significantly enhanced sensitivity, yielding a coverage‐normalized response of 116 ± 10 mV per molecule in 20 nm‐wide GNRs (from calibrated ensemble Dirac‐point shifts). Experimental and theoretical analyses reveal that this heightened sensitivity arises from stronger fringe fields, width‐dependent quantum confinement effects, reduced DOS, and increased edge roughness that facilitates molecular anchoring, enhanced orbital overlap, and improved charge transfer efficiency. Our findings challenge the conventional assumption that smoother edges inherently enhance sensor performance, demonstrating that controlled edge disorder substantially boosts molecular sensitivity in GNR sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Inference of Rock Flow and Mechanical Properties from Injection-Induced Microseismic Events During Geologic CO 2 Storage

Monitoring microseismic activities during CO 2 injection into geologic formations is important for ensuring the safety of the storage operations. The resulting data provide insight into the response of the storage formation to CO 2 injection and can be used to infer the underlying rock flow and mechanical properties. In this paper, assimilation of microseismic data is performed for dynamic characterization of the storage formation by using a stochastic simulation model to forecast the microseismic response of a geologic formation during CO 2 injection. Two modeling approaches are adopted to predict the space-time distribution of the injection-induced microseismicity. The first model is based on pore pressure relaxation assumption, while the second model uses coupled flow and geomechanics simulation to establish the complex physical relation between the storage formation properties and the corresponding microseismic responses during CO 2 injection. The stochastic predictive models in each case are used in ensemble data assimilation frameworks to estimate rock properties from the observed microseismic data. Two data assimilation methods are considered: (i) a new ensemble-based stochastic point process filter (EnPPF) that can directly integrate discrete microseismic events, and (ii) a variant of ensemble smoother, known as the ensemble smoother with multiple data assimilation (ES-MDA), which requires continuous representation of microseismic events for assimilation. The two methods are successfully applied to a geologically realistic model of the Farnsworth Field in Texas, with complex geologic flow units and interacting fault systems.

42 ENGINEERING↗
DOE OSTI2021

Higher-order particle representation for particle-in-cell simulations

In this paper we present an alternative approach to the representation of simulation particles for unstructured electrostatic and electromagnetic PIC simulations. In our modified PIC algorithm we represent particles as having a smooth shape function limited by some specified finite radius, r 0 . A unique feature of our approach is the representation of this shape by surrounding simulation particles with a set of virtual particles with delta shape, with fixed offsets and weights derived from Gaussian quadrature rules and the value of r 0 . As the virtual particles are purely computational, they provide the additional benefit of increasing the arithmetic intensity of traditionally memory bound particle kernels. The modified algorithm is implemented within Sandia National Laboratories' unstructured EMPIRE-PIC code, for electrostatic and electromagnetic simulations, using periodic boundary conditions. We show results for a representative set of benchmark problems, including electron orbit, a transverse electromagnetic wave propagating through a plasma, numerical heating, and a plasma slab expansion. In this work, good error reduction across all of the chosen problems is achieved as the particles are made progressively smoother, with the optimal particle radius appearing to be problem-dependent.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Smooth Dispersion Is Physically Appropriate: Assessing and Amending the D4 Dispersion Model

The addition of dispersion corrections to density functionals is essential for accurate energy and geometry predictions. Among them, the D4 scheme is popular due to its low computational cost and high accuracy. However, due to its design, the D4 correction can occasionally lead to anomalies, such as unphysical curvature and bumps in the potential energy surface. We find these anomalies are common in the D4 model, although observable consequences are rarer than in the D3 model for reasons we explain. Nevertheless, we uncover instances of unphysical local minima and stationary points with the D4 scheme and propose two solutions that yield smoother dispersion energy as a function of nuclear position. One is trivial to implement, based on a smoother reparametrization of Gaussian weighting (D4S) to find the effective coordination number. The other replaces Gaussian weighting with soft linear interpolation (D4SL). These new approaches usually remove artificial extremum points, while maintaining accuracy.

Tkachenko, Nikolay V↗
DOE OSTI2024

Quantifying the Impacts of Land-Cover Change on the Hydrologic Response to Hurricane Ida in the Lower Mississippi River Basin

Abstract The Lower Mississippi River basin (LMRB) has experienced significant changes in land cover and is one of the most vulnerable regions to hurricanes in the United States. Here, we study the impacts of land-cover change on the hydrologic response to Hurricane Ida in LMRB. By using an integrated surface–subsurface hydrologic model, Energy Exascale Earth System Model (E3SM) Land Model coupled with the three-dimensional ParFlow subsurface flow model (ELM-ParFlow), we simulate the effects of land-cover change on the flood volume and peak timing induced by rainfall from Hurricane Ida. The results show that land-cover changes from 1850 to 2015, which resulted in a smoother surface and less vegetation, exacerbated both flood peak time and volume induced by Hurricane Ida. The effects of land-cover changes can be decomposed into two mechanisms: a smoother surface routes more water faster to a watershed outlet and less vegetation allows more water to contribute to surface runoff. By comparing scenarios in which the two mechanisms were isolated, we found that changes in soil moisture due to vegetation cover change have more dominant effects on floods in the southern part and changes in Manning’s coefficient have the largest effect on floods in the northern part of the LMRB. The study provides important insights into the complex relationship between land-use, land-cover, and hydrologic processes in coastal regions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1974

Sequential square root filtering and smoothing of discrete linear systems

A square root information filter/smoother is derived using recursive least-squares arguments. The combined filter/smoother algorithm has the following attributes: (1) it has a square root structure, which enhances numerical accuracy; (2) filter and smoother mechanizations are identical in form, facilitating implementation of the smoother; and (3) storage and computation requirements are modest compared with other smoothing algorithms. Partitioning the results to separate bias parameters provides further computational economies and reduction of storage requirements.

Bierman, G. J.↗
NASA NTRS1974

Navigation of the Mariner 10 spacecraft to Venus and Mercury

Orbit determination techniques used during the highly successful flight of Mariner 10 to Venus and Mercury are presented. Comparisons are made between different data sets, different sets of parameters, and between a conventional least squares batch filter and a sequential batch filter and smoother that was designed for this mission. The sequential filter was able to account for small spacecraft forces that the batch filter was unable to handle effectively, and hence, contributed greatly to the mission success. The sequential filter and smoother design is given as well as results for each phase of the mission.-

Christensen, C. S.↗
NASA NTRS1975

Combustion intensity and distribution relation to noise generation

Experiments with several different flame holder geometries were conducted to investigate the degree to which combustion roughness can be altered by altering the flame intensity and flame distribution in a ducted combustion system. The effect of admitting primary air through a plane-slotted or a slotted-swirl vane flame holder was compared and the combustion roughness and noise was contrasted with that obtained with a closed front-end perforated can. The slotted front-end burners produced much smoother burning and less noise than the closed front-end can. No advantage was apparent with swirl vs nonswirl when approximately the same inlet flow distribution was maintained. Preheated inlet air provided somewhat smoother combustion as compared with ambient temperature air. The combustion roughness with methyl alcohol was briefly compared with that of isooctane; indications are that it burns more smoothly, but more detailed studies are needed to substantiate these indications.

Plett, E. G.↗
NASA NTRS1977

Compatibility check of measured aircraft responses using kinematic equations and extended Kalman filter

An extended Kalman filter smoother and a fixed point smoother were used for estimation of the state variables in the six degree of freedom kinematic equations relating measured aircraft responses and for estimation of unknown constant bias and scale factor errors in measured data. The computing algorithm includes an analysis of residuals which can improve the filter performance and provide estimates of measurement noise characteristics for some aircraft output variables. The technique developed was demonstrated using simulated and real flight test data. Improved accuracy of measured data was obtained when the data were corrected for estimated bias errors.

Klein, V.↗
NASA NTRS1977

ALTKAL: An optimum linear filter for GEOS-3 altimeter data

ALTKAL is a computer program designed to smooth sea surface height data obtained from the GEOS 3 altimeter, and to produce minimum variance estimates of sea surface height and sea surface slopes, along with their standard derivations. The program operates by processing the data through a Kalman filter in both the forward and backward directions, and optimally combining the results. The sea surface height signal is considered to have a geoid signal, modeled by a third order Gauss-Markov process, corrupted by additive white noise. The governing parameters for the signal and noise processes are the signal correlation length and the signal-to-noise ratio. Mathematical derivations of the filtering and smoothing algorithms are presented. The smoother characteristics are illustrated by giving the frequency response, the data weighting sequence and the transfer function of a realistic steady-state smoother example. Based on nominal estimates for geoidal undulation amplitude and correlation length, standard deviations for the estimated sea surface height and slope are 12 cm and 3 arc seconds, respectively.

Fang, B. T.↗
NASA NTRS1980

Application of optimum smoothing for image distortion correction

Optimum linear smoothing is utilized to estimate certain distortions in LANDSAT-D images. Measurements that are processed by the smoother consist of designated control of point locations within the images. Image distortions that are estimated by the smoother are those induced by LANDSAT-D satellite navigation errors and slowly varying attitude and sensor alignment uncertainties. Preliminary results indicate that optimum smoothing produces substantially more accurate distortion estimates than optimum filtering and that optimum smoothing may reduce the number of control points needed to yield desired image correction accuracy.

Werner, R. A.↗
NASA NTRS1989

Minimum-variance reduced-order estimation algorithms from Pontrygin's minimum principle

A uniform derivation of minimum-variance reduced-order (MVRO) filter-smoother algorithms from Pontrygin's Minimum Principle is presented. An appropriate performance index for a general class of reduced order estimation problem is formulated herein to yield optimal results over the entire time interval of estimation. These results provide quantitative criteria for measuring the performance of certain classes of heuristically designed, suboptimal reduced-order estimators as well as explicit guidance to the suboptimal filter design process with both continuous and discrete filter-smoother algorithms being considered. By the duality principle, the algorithms of reduced-order estimation can be easily extended to the deterministic problems of optimal control (i.e., the regulator and linear tracking problem).

Ebrahimi, Yaghoob S.↗
NASA NTRS1991

Alternative smoothing algorithms for on-line estimation problems

In recent years, much emphasis has been placed on the Kalman filter to solve on-line estimation problems. Smoothers, which determine state estimates at a certain time t using measurements between 0 and T, have been used primarily in off-line estimation schemes. This paper presents alternative forms of smoothers that can be used for on-line estimation problems. The alternative smoothing algorithms provide state estimates which are more refined than Kalman filtered state estimates. The alternative smoothing algorithms are illustrated in two examples. The first example considers a linear discrete-time system while the second example considers a nonlinear continuous-time system with discrete-time measurements.

Baumgartner, Eric T.↗
NASA NTRS1989

Totally parallel multilevel algorithms for sparse elliptic systems

The fastest known algorithms for the solution of a large elliptic boundary value problem on a massively parallel hypercube all require O(log(n)) floating point operations and O(log(n)) distance-1 communications, if massively parallel is defined to mean a number of processors proportional to the size n of the problem. The Totally Parallel Multilevel Algorithm (TPMA) that has, as special cases, four of these fast algorithms is described. These four algorithms are Parallel Superconvergent Multigrid (PSMG), Robust Multigrid, the Fast Fourier Transformation (FFT) based Spectral Algorithm, and Parallel Cyclic Reduction. The algorithm TPMA, when described recursively, has four steps: (1) project to a collection of interlaced, coarser problems at the next lower level; (2) apply TPMA, recursively, to each of these lower level problems, solving directly at the lowest level; (3) interpolate these approximate solutions to the finer grid, and to verage them to form an approximate solution on this grid; and (4) refine this approximate solution with a defect-correction step, using a local approximate inverse. Choice of the projection operator (P), the interpolation operator (Q), and the smoother (S) determines the class of problems on which TPMA is most effective. There are special cases in which the first three steps produce an exact solution, and the smoother is not needed (e.g., constant coefficient operators).

Frederickson, Paul O.↗
NASA NTRS1993

A multigrid nonoscillatory method for computing high speed flows

A multigrid method using different smoothers has been developed to solve the Euler equations discretized by a nonoscillatory scheme up to fourth order accuracy. The best smoothing property is provided by a five-stage Runge-Kutta technique with optimized coefficients, yet the most efficient smoother is a backward Euler technique in factored and diagonalized form. The singlegrid solution for a hypersonic, viscous conic flow is in excellent agreement with the solution obtained by the third order MUSCL and Roe's method. Mach 8 inviscid flow computations for a complete entry probe have shown that the accuracy is at least as good as the symmetric TVD scheme of Yee and Harten. The implicit multigrid method is four times more efficient than the explicit multigrid technique and 3.5 times faster than the single-grid implicit technique. For a Mach 8.7 inviscid flow over a blunt delta wing at 30 deg incidence, the CPU reduction factor from the three-level multigrid computation is 2.2 on a grid of 37 x 41 x 73 nodes.

Li, C. P.↗