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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Information and Statistics in Nuclear Experiment and Theory (ISNET)

As with all empirical sciences, nuclear physics operates in the virtuous cycle of the scientific method: observations inspire theoretical models; models lead to new predictions; predictions are tested in experiments; experiments lead to new observations; and so on. Evaluating what we are inferring, and how certain we are of it, is key to this process. These requirements, and a general interest in applying novel statistical, mathematical, and computational techniques, led to the formation of a dedicated research community entitled “Information and Statistics in Nuclear Experiment and Theory (ISNET)” (https://isnet-series.github.io/), which now includes more than 300 members. While the community’s interests lean toward nuclear theory, the unifying theme for this group is the inference of knowledge from data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A Stochastic Reduced-Order Model for Statistical Microstructure Descriptors Evolution

Integrated computational materials engineering (ICME) models have been a crucial building block for modern materials development, relieving heavy reliance on experiments and significantly accelerating the materials design process. However, ICME models are also computationally expensive, particularly with respect to time integration for dynamics, which hinders the ability to study statistical ensembles and thermodynamic properties of large systems for long time scales. To alleviate the computational bottleneck, we propose to model the evolution of statistical microstructure descriptors as a continuous-time stochastic process using a non-linear Langevin equation, where the probability density function (PDF) of the statistical microstructure descriptors, which are also the quantities of interests (QoIs), is modeled by the Fokker–Planck equation. In this work, we discuss how to calibrate the drift and diffusion terms of the Fokker–Planck equation from the theoretical and computational perspectives. The calibrated Fokker–Planck equation can be used as a stochastic reduced-order model to simulate the microstructure evolution of statistical microstructure descriptors PDF. Considering statistical microstructure descriptors in the microstructure evolution as QoIs, we demonstrate our proposed methodology in three integrated computational materials engineering (ICME) models: kinetic Monte Carlo, phase field, and molecular dynamics simulations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1972

DDP-116 general digital filtering

The methods are described for calibrating, selecting filter weights, filtering, and computing filter response functions. These methods are computed on a statistical analyzer (STAN) system with a Honeywell DDP-116 central processor. The following filter types are computed: all pass, low pass, high pass, band pass, band rejection, and derivative.

Jones, J. A.↗
DOE OSTI2022

Lagrangian conditional statistics and flow topology in edge plasma turbulence

Lagrangian statistics and particle transport in edge plasma turbulence are investigated using the Hasegawa–Wakatani model and its modified version. The latter shows the emergence of pronounced zonal flows. Different values of the adiabaticity parameter are considered. The main goal is to characterize the role of coherent structures, i.e., vortices and zonal flows, and their impact on the Lagrangian statistics of particles. Computationally intensive long time simulations following ensembles of test particles over hundreds of eddy turnover times are considered in statistically stationary turbulent flows. The flow topology is characterized using the Lagrangian Okubo–Weiss criterion in order to split the flow into topologically different domains. In elliptic and hyperbolic regions, the probability density functions (PDFs) of the residence time have self-similar algebraic decaying tails. However, in the intermediate regions, the PDFs exhibit exponentially decaying tails. Topologically conditioned PDFs of the Lagrangian velocity, and acceleration and density fluctuations are likewise computed. The differences between the classical Hasegawa–Wakatani system and its modified version are assessed, and the role of zonal flows is highlighted. Here, the density flux spectrum, which characterizes the contributions of different length scales, is studied, and its inertial scaling is found to be in agreement with predictions based on dimensional arguments. Analyzing the angular change of particle tracers at different time scales, corresponding to coarse grained curvature, completes the study, and these multiscale geometric statistics quantify the directional properties of the particle motion in different flow regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1982

Space diversity performance prediction for earth-satellite paths using radar modeling techniques

Space diversity performance is examined on the basis of radar modeling techniques. Radar-derived joint probability distributions are calculated for determining path attenuation and statistical formulation. The computational aspects of the model are discussed in terms of the data base, determining path length and converting statistics to other path angles. The results are presented in terms of prediction accuracy, predicted joint probability distributions, diversity gain, and the autocorrection function. When compared to other models, this model's rain-derived relative diversity gain shows good agreement.

Goldhirsh, J.↗
DOE OSTI2022

Physics-Informed Gaussian Process Regression for States Estimation and Forecasting in Power Grids

Real-time state estimation and forecasting are critical for the efficient operation of power grids. In this paper, a physics-informed Gaussian process regression (PhI-GPR) method is presented and used for forecasting and estimating the phase angle, angular speed, and wind mechanical power of a three-generator power grid system using sparse measurements. In standard data-driven Gaussian process regression (GPR), parameterized models for the prior statistics are fit by maximizing the marginal likelihood of observed data. In the PhI-GPR method, we propose to compute the prior statistics offline by solving stochastic differential equations (SDEs) governing the power grid dynamics. The short-term forecast of a power grid system dominated by wind generation is complicated by the stochastic nature of the wind and the resulting uncertainty in wind mechanical power. Here, we assume that the power grid dynamics are governed by swing equations, with the wind mechanical power fluctuating randomly in time. We solve these equations for the mean and covariances of the power grid states using the Monte Carlo simulation method. We demonstrate that the proposed PhI-GPR method can accurately forecast and estimate observed and unobserved states. For the considered problem, PhI-GPR has computational advantages over the ensemble Kalman filter (EnKF) method: In PhI-GPR, ensembles are computed offline and independently of the data acquisition process, whereas for EnFK, ensembles are computed online with data acquisition, rendering real-time forecast more challenging. We also demonstrate that the PhI-GPR forecast is more accurate than the EnKF forecast when the random mechanical wind power is non-Markovian. In contrast, the two methods produce similar forecasts for the Markovian mechanical wind power. For observed states, we show that PhI-GPR provides a forecast comparable to the standard data-driven GPR; both forecasts are significantly more accurate than the autoregressive integrated moving average (ARIMA) forecast. We also show that the ARIMA forecast is more sensitive to observation frequency and measurement errors than the PhI-GPR forecast.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1986

A Monte Carlo study of Weibull reliability analysis for space shuttle main engine components

The incorporation of a number of additional capabilities into an existing Weibull analysis computer program and the results of Monte Carlo computer simulation study to evaluate the usefulness of the Weibull methods using samples with a very small number of failures and extensive censoring are discussed. Since the censoring mechanism inherent in the Space Shuttle Main Engine (SSME) data is hard to analyze, it was decided to use a random censoring model, generating censoring times from a uniform probability distribution. Some of the statistical techniques and computer programs that are used in the SSME Weibull analysis are described. The methods documented in were supplemented by adding computer calculations of approximate (using iteractive methods) confidence intervals for several parameters of interest. These calculations are based on a likelihood ratio statistic which is asymptotically a chisquared statistic with one degree of freedom. The assumptions built into the computer simulations are described. The simulation program and the techniques used in it are described there also. Simulation results are tabulated for various combinations of Weibull shape parameters and the numbers of failures in the samples.

Abernethy, K.↗
DOE OSTI2025

Density functional theory-based surrogate kinetic models for heterogeneous reactions of hydrocarbon intermediates on silicon carbide

The increasing demand for high-performance materials in advanced technologies highlights the importance of achieving a fundamental understanding and potential control of silicon carbide (SiC) deposition processes. However, existing models often lack sufficient theoretical detail, relying heavily on empirical data and offering limited predictive capability. In particular, the complex surface chemistry governing SiC growth remains poorly understood. This study addresses these challenges by employing density functional theory (DFT) to investigate key heterogeneous reactions involving hydrocarbon intermediates on SiC surfaces, including dehydrogenation, hydrogenation, and carbon deposition. Transition state searches were conducted to identify reaction pathways and energy barriers. While first-principles calculations offer high accuracy, they are computationally intensive. To extend the utility of these first-principles results, vibrational analyses were performed using phonon-based statistical thermochemistry to compute temperature-dependent reaction rates which were used to develop Arrhenius-type surrogate kinetic models. Furthermore, the resulting framework provides a more rigorous, physically grounded basis for integrating atomistic insights into continuum-scale modeling, ultimately enabling improved prediction and optimization of SiC film growth in high-performance material systems.

Density Functional Theory↗
NASA NTRS1998

Particle Imaging Velocimetry Used in a Transonic Compressor Facility

Particle Imaging Velocimetry (PIV) is an optical technique whereby a pulsed laser sheet is used to illuminate particles entrained in a fluid across an extended planar cross section of a flow field. Electronic recording of the particle positions at two closely timed laser pulses permits the computation of the flow velocity. PIV captures the instantaneous flow field, permitting the study of unsteady flow phenomena. Mean flow statistics can be computed by acquiring several hundred images and averaging the results. The first-ever successful application of PIV to acquire measurements in a high-speed rotating turbomachinery blade row was completed in NASA Lewis Research Center's W-8 Single Stage Axial Compressor Facility. Measurements were acquired in a 20-in.-diameter transonic compressor rotor operating at 17,188 rpm. A custom-designed light-sheet generating probe was used to insert the high-energy, pulsed light-sheet illumination required for recording the unblurred images of particles entrained in the fluid. Measurements of the shock wave formed within the rotor blade passage and of unsteady structures within the blade wakes were acquired. These measurements provide insight into unsteady spatial structures in the flow field which cannot be measured with the more conventional laser anemometry technique. The PIV technique provides both instantaneous and average velocity data in a transonic compressor in an order of magnitude less time than required for other conventional optical diagnostic techniques.

Wernet, Mark P.↗
NASA NTRS1984

Sensitivity analysis of limit state functions for probability-based plastic design

The evaluation of the total probability of a plastic collapse failure P sub f for a highly redundant structure of random interdependent plastic moments acted on by random interdepedent loads is a difficult and computationally very costly process. The evaluation of reasonable bounds to this probability requires the use of second moment algebra which involves man statistical parameters. A computer program which selects the best strategy for minimizing the interval between upper and lower bounds of P sub f is now in its final stage of development. The relative importance of various uncertainties involved in the computational process on the resulting bounds of P sub f, sensitivity is analyzed. Response sensitivities for both mode and system reliability of an ideal plastic portal frame are shown.

Frangopol, D. M.↗
DOE OSTI2023

Black-box statistical prediction of lossy compression ratios for scientific data

Lossy compressors are increasingly adopted in scientific research, tackling volumes of data from experiments or parallel numerical simulations and facilitating data storage and movement. In contrast with the notion of entropy in lossless compression, no theoretical or data-based quantification of lossy compressibility exists for scientific data. Users rely on trial and error to assess lossy compression performance. As a strong data-driven effort toward quantifying lossy compressibility of scientific datasets, we provide a statistical framework to predict compression ratios of lossy compressors. Our method is a two-step framework where (i) compressor-agnostic predictors are computed and (ii) statistical prediction models relying on these predictors are trained on observed compression ratios. Proposed predictors exploit spatial correlations and notions of entropy and lossyness via the quantized entropy. We study 8+ compressors on 6 scientific datasets and achieve a median percentage prediction error less than 12%, which is substantially smaller than that of other methods while achieving at least a 8.8× speedup for searching for a specific compression ratio and 7.8× speedup for determining the best compressor out of a collection.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Methods for Explainable Artificial Intelligence

We explored ways of quantifying information in a neural network. This can be used to determine the right size of a network or to infer the way in which a network is processing information. The first year and a half was somewhat exploratory while the last half of the project focused on approaches that seemed to show the most promise. The introduce a new way of computing explainable artificial intelligence (XAI) saliency maps that is several orders of magnitude faster than methods with similar fidelity We call it FastCAM. The method works be combining a Class Activation Map (CAM) method such as GradCAM with a forward activation map computed with a statistic we call SMOE Scale. The addition of the forward activation maps to CAM methods seems to always improve their fidelity. At the same time, computational overhead is not increased by very much. While Gradients with SmoothGrad scores better on some fidelity measures, it is overall not as good and requires more than 1500 times to compute. We demonstrate two completed applications of FastCAM on tasks outside of the LDRD at LLNL. The source code for FastCAM is currently being implanted into Captum, the official XAI toolkit for the popular deep learning toolkit PyTorch. The LDRD currently has 13 publications released to the public. 10 of them are journal length.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Interactive design and analysis of future large spacecraft concepts

An interactive computer aided design program used to perform systems level design and analysis of large spacecraft concepts is presented. Emphasis is on rapid design, analysis of integrated spacecraft, and automatic spacecraft modeling for lattice structures. Capabilities and performance of multidiscipline applications modules, the executive and data management software, and graphics display features are reviewed. A single user at an interactive terminal create, design, analyze, and conduct parametric studies of Earth orbiting spacecraft with relative ease. Data generated in the design, analysis, and performance evaluation of an Earth-orbiting large diameter antenna satellite are used to illustrate current capabilities. Computer run time statistics for the individual modules quantify the speed at which modeling, analysis, and design evaluation of integrated spacecraft concepts is accomplished in a user interactive computing environment.

Garrett, L. B.↗
DOE OSTI2022

Statistical Mechanics on Lattices (smol) v0.0.1

smol is a Python implementation of the Cluster Expansion Method and extensions of this methodology; which is used to fit applied lattice models from first principle calculations for subsequent use in Monte Carlo simulations for computing thermodynamic and statistical properties of atomic configuration. smol has a several notable advantages over other similar software packages. The first being its Python implementation which makes it easy to use even for users with little software and coding skills. Despite being implemented in Python, essential Monte Carlo routines are implemented in Cython such that performance is not compromised and is competitive even to similar software implemented in C/C++. Furthermore, the package has specific functionality for handling complex ionic materials (such as cathodes and electrolytes) that is not readily available in other packages. Lastly, the software has a flexible and modular design with the intention of making it fast and efficient to develop and extend the methodology.

Barroso-Luque, Luis↗
NASA NTRS1992

An investigation of surface parameter estimation from surface models

In surface scattering problems, scattering models are used to estimate the surface parameters by comparing model predictions to data. The meaning of such a procedure is examined using computer simulated scattering data from statistically known surfaces. Numerically exact scattering computations based on the moment method are conducted, and standard surface scattering models are applied to these simulated data. It is shown that such an approach usually leads to effective surface parameters as opposed to real surface parameters, except for a limited frequency region. It is also shown that if a surface scattering model is valid over all frequencies, then it is possible to recover the real surface parameters regardless of whether the surface is single scale or two scale.

Fung, A. K.↗
NASA NTRS2004

The coverage of elliptical orbits using Ergodic theory

One of the key performance metrics for satellite constellations is the statistics of the visibility periods between the satellites and poins on the ground. Associated with this are other desirable communications statistis such as data through-put, link qualities, etc. Typically, the computation of coverage statistics requires the propagation of the trajectories. In this paper a new algorithm using differential geometry enables us to extend the Ergodic theory to eliptical orbits.

Lo, Martin W.↗