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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

A wall interference assessment/correction system

A Wall Signature method originally developed by Hackett was selected to be adapted for the Ames 12-ft Wind Tunnel Wall Interference Assessment/Correction (WIAC) System in the project. This method uses limited measurements of the static pressure at the wall, in conjunction with the solid wall boundary condition, to determine the strength and distribution of singularities representing the test article. The singularities are used in turn for estimating wall interference at the model location. The lifting interference will be treated separately by representing in a horseshoe vortex system for the model's lifting effects. The development and implementation of a working prototype will be completed, delivered, and documented with a software manual. The WIAC code will be validated by conducting numerically simulated experiments rather than actual wind tunnel experiments. The simulations will be used to generate both free-air and confined wind-tunnel flow fields for each of the test articles over a range of test configurations. Specifically, the pressure signature at the test section wall will be computed for the tunnel case to provide the simulated 'measured' data. These data will serve as the input for the WIAC method - Wall Signature method. The performance of the WIAC method then may be evaluated by comparing the corrected parameters with those for the free-air simulation. The following two additional tasks are included in the supplement No. 1 to the basic Grant. On-line wall interference calculation: The developed wall signature method (modified Hackett's method) for Ames 12-ft Tunnel will be the pre-computed coefficients which facilitate the on-line calculation of wall interference; and support system effects estimation: The effects on the wall pressure measurements due to the presence of the model support systems will be evaluated.

Lo, Ching F.↗
DOE OSTI2021

Machine learning application to single channel design of molten salt reactor

This study proposes a robust approach to quickly design a nuclear reactor core and explores the best performing machine learning (ML) technique for predicting feature parameters of the core. Here we implemented the approach into a hypothetical channel of molten salt reactors to demonstrate the applicability of the method. We prepared a Python tool, named Plankton, which couples to a reactor physics code and an optimization tool, and imports ML methods. The tool performs three consecutive phases: reactor database generation, machine learning application, and design optimization. We identified the extra trees method as the best performing estimator. With the estimator, we found nine optimum designs in total, one for each fuel-salt pair, and estimated all the performance metrics of the designs with a <5% prediction error compared to their actual values. U-Pu-NaCl fuel-salt gave promising results with the highest conversion ratio, the most negative feedback coefficient, and the lowest fast flux.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Data-driven chemical kinetic reaction mechanism for F-24 jet fuel ignition

A data-driven chemical kinetic mechanism for the military version of Jet A, F-24, is developed for numerical simulations of the ignition process. The main purpose of this study is to obtain a practical F-24 mechanism across wide temperature and equivalence ratio ranges, with a particular focus on the negative temperature coefficient and low temperature regions. The new mechanism (ARLMech-HC-F24) is based on the HyChem model of a similar fuel and optimized using a micro-genetic algorithm against an experimental ignition delay data set of the target fuel. The development and optimization processes include reaction selection, population creation, shuffled tournament implementation based on a merit function, and child-individual creation for the next generation. Several techniques and parameters are proposed to generate an accurate mechanism through an efficient process. The newly introduced data-driven mechanism based on these techniques shows better merit value convergence and represents the ignition behavior more accurately than that without the techniques. This practical mechanism is suitable for the numerical simulations of the F-24 or Jet A ignition problem, and the suggested strategies can be employed in similar problems of rate coefficients estimation.

42 ENGINEERING↗
DOE OSTI2025

Resolving the Coverage Dependence of Surface Reaction Kinetics with Machine Learning and Automated Quantum Chemistry Workflows

Microkinetic models for catalytic systems require estimation of many thermodynamic and kinetic parameters that can be calculated for isolated species and transition states using ab initio methods. However, the presence of nearby coadsorbates on the surface can dramatically alter these thermodynamic and kinetic parameters causing them to be dependent on species coverage fractions. As there are combinatorially many coadsorbed configurations on the surface, computing the coverage dependence of these parameters is far less straightforward. We present a framework for generating and applying machine learning models to predict coverage-dependent parameters for microkinetic models. Our toolkit enables automatic calculation and evaluation of coadsorbed configurations allowing us to sample 2,000 coadsorbed adsorbates and transition states (TSs) for a diverse set of 9 reactions on Cu(111), a challenging surface, with four possible coadsorbates. This dataset was then used to train subgraph isomorphic decision trees (SIDTs) to predict the stability and association energy of configurations. We were able to achieve mean absolute errors (MAEs) of 0.106 eV on adsorbates, 0.172 eV on TSs, and due to natural error cancellation in SIDTs for relative properties, 0.130 eV on reaction energies and 0.180 eV on activation barriers. In conclusion, we describe how to use these models to predict coverage-dependent corrections for adsorbates and TSs and demonstrate on H*, HO*, and O* comparing the generated SIDT model with an iteratively refined version.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Deep Learning and Likelihood Approaches for Viral Phylogeography Converge on the Same Answers Whether the Inference Model Is Right or Wrong

Abstract Analysis of phylogenetic trees has become an essential tool in epidemiology. Likelihood-based methods fit models to phylogenies to draw inferences about the phylodynamics and history of viral transmission. However, these methods are often computationally expensive, which limits the complexity and realism of phylodynamic models and makes them ill-suited for informing policy decisions in real-time during rapidly developing outbreaks. Likelihood-free methods using deep learning are pushing the boundaries of inference beyond these constraints. In this paper, we extend, compare, and contrast a recently developed deep learning method for likelihood-free inference from trees. We trained multiple deep neural networks using phylogenies from simulated outbreaks that spread among 5 locations and found they achieve close to the same levels of accuracy as Bayesian inference under the true simulation model. We compared robustness to model misspecification of a trained neural network to that of a Bayesian method. We found that both models had comparable performance, converging on similar biases. We also implemented a method of uncertainty quantification called conformalized quantile regression that we demonstrate has similar patterns of sensitivity to model misspecification as Bayesian highest posterior density (HPD) and greatly overlap with HPDs, but have lower precision (more conservative). Finally, we trained and tested a neural network against phylogeographic data from a recent study of the SARS-Cov-2 pandemic in Europe and obtained similar estimates of region-specific epidemiological parameters and the location of the common ancestor in Europe. Along with being as accurate and robust as likelihood-based methods, our trained neural networks are on average over 3 orders of magnitude faster after training. Our results support the notion that neural networks can be trained with simulated data to accurately mimic the good and bad statistical properties of the likelihood functions of generative phylogenetic models.

Evolutionary Biology↗
DOE OSTI2026

Conditional Latent Diffusion for High-Resolution Prediction of Electrochemical Surface Morphology

A conditionally guided generative latent diffusion process that is trained on a set of experimental processing parameters and their associated resulting electron microscope images of the electrodeposition process is able to interpolate between processing parameters in a physically consistent way. Electrodeposition of rhenium with pulse and pulse-reverse waveforms is used as a model system, and the process is adaptable to other electrodeposition, electropolishing, or corrosion processes. The method is able to extrapolate, predicting estimates of material morphologies for experimental setups unseen in the training data. The results are demonstrated with experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Statistical Analysis of the Eigenmode Spectrum in the SRF Cavities with Mechanical Imperfections

The superconducting radio frequency (SRF) technology is progressing rapidly over last decades toward high accelerating gradients and low surface resistance making feasible the particle accelerators operation with high beam currents and long duty factors. However, the coherent RF losses due to high order modes (HOMs) excitation becomes a limiting factor for these regimes. In spite of the operating mode, which is tuned separately, the parameters of HOMs vary from one cavity to another due to finite mechanical tolerances during cavities fabrication. It is vital to know in advance the spread of HOM parameters in order to predict unexpected cryogenic losses, overheating of beam line components and to keep stable beam dynamics. In this paper we present the method of generating the unique cavity geometry with imperfections while preserving operating mode frequency and field flatness. Based on the eigenmode spectrum calculation of series of randomly generated cavities we can accumulate the data for the evaluation the HOM statistics. Finally, we describe the procedure for the estimation of the probability of the resonant HOM losses in the SRF resonators. The study of these effects leads to specifications of SC cavity and cryomodule and can significantly impact on the efficiency and reliability of the machine operation

43 PARTICLE ACCELERATORS↗
NASA NTRS1992

The magnetic field of Neptune

A model is given of the planetary magnetic field of Neptune based on a spherical harmonic analysis of the observations obtained by the Voyager 2. Generalized inverse techniques are used to partially solve a severely underdetermined inverse problem, and the resulting model is nonunique since the observations are limited in spatial distribution. Dipole, quadrupole, and octupole coefficients are estimated independently of other terms, and the parameters are shown to be well constrained by the measurement data. The large-scale features of the magnetic field including dipole tilt, offset, and harmonic content are found to characterize a magnetic field that is similar to that of Uranus. The traits of Neptune's magnetic field are theorized to relate to the 'ice' interior of the planet, and the dynamo-field generation reflects this poorly conducting planet.

Connerney, J. E. P.↗
DOE OSTI2021

Simulation of decelerating streamers in inhomogeneous atmosphere with implications for runaway electron generation

The dynamics of positive and negative streamers is numerically simulated in atmospheric pressure air in the range of parameters corresponding to the streamer deceleration and termination in the middle of the discharge gap. A detailed comparison with experiments in air at constant and variable density demonstrates good agreement between the 2D simulation results and the observations. It is shown that positive and negative streamers behave in radically different ways when decelerating and stopping. When the head potential drops, the negative streamer transits to the mode in which the propagation is due to the forward electron drift. In this case, the radius of the ionization wave front increases, whereas the electric field at the streamer head decreases further and the streamer stops. Its head diameter continues to increase due to the slow drift of free electrons in the residual under-breakdown field. On the contrary, the only advancement mechanism for a positive streamer with a decreasing head potential is a decrease in the effective radius of the ionization wave, leading to a local increase in the electric field. This mechanism makes it possible to compensate for the reduction in the efficiency of gas photoionization at small head diameters. A qualitative 1D model is suggested to describe streamer deceleration and stopping for different discharge polarities. Estimates show that, during positive streamer stopping, the local electric field at the streamer head can exceed the threshold corresponding to the transition of electrons to the runaway mode when the head potential (relative to the surrounding space) decreases to~1.2 kV in atmospheric pressure air. In this case, pulsed generation of a beam of runaway electrons directed into the channel of a stopping positive streamer can occur. The energy of the formed pulsed electron beam depends on the intensity of photoionization in front of the streamer head. This energy can vary from 700 V (when increasing the photoionization rate by a factor of 10 with respect to the value in atmospheric pressure air) to 2.6 kV (when decreasing the photoionization rate by a factor of 1000). It is possible that this behavior of decelerating positive streamers can explain the observed bursts of x-ray radiation during the streamer propagation in long air gaps.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Pedotransfer Functions in Earth System Science: Challenges and Perspectives

Abstract Soil, through its various functions, plays a vital role in the Earth's ecosystems and provides multiple ecosystem services to humanity. Pedotransfer functions (PTFs) are simple to complex knowledge rules that relate available soil information to soil properties and variables that are needed to parameterize soil processes. In this paper, we review the existing PTFs and document the new generation of PTFs developed in the different disciplines of Earth system science. To meet the methodological challenges for a successful application in Earth system modeling, we emphasize that PTF development has to go hand in hand with suitable extrapolation and upscaling techniques such that the PTFs correctly represent the spatial heterogeneity of soils. PTFs should encompass the variability of the estimated soil property or process, in such a way that the estimation of parameters allows for validation and can also confidently provide for extrapolation and upscaling purposes capturing the spatial variation in soils. Most actively pursued recent developments are related to parameterizations of solute transport, heat exchange, soil respiration, and organic carbon content, root density, and vegetation water uptake. Further challenges are to be addressed in parameterization of soil erosivity and land use change impacts at multiple scales. We argue that a comprehensive set of PTFs can be applied throughout a wide range of disciplines of Earth system science, with emphasis on land surface models. Novel sensing techniques provide a true breakthrough for this, yet further improvements are necessary for methods to deal with uncertainty and to validate applications at global scale.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1999

Likelihood Analysis for Mega Pixel Maps

The derivation of cosmological parameters from astrophysical data sets routinely involves operations counts which scale as O(N(exp 3) where N is the number of data points. Currently planned missions, including MAP and Planck, will generate sky maps with N(sub d) = 10(exp 6) or more pixels. Simple "brute force" analysis, applied to such mega-pixel data, would require years of computing even on the fastest computers. We describe an algorithm which allows estimation of the likelihood function in the direct pixel basis. The algorithm uses a conjugate gradient approach to evaluate X2 and a geometric approximation to evaluate the determinant. Monte Carlo simulations provide a correction to the determinant, yielding an unbiased estimate of the likelihood surface in an arbitrary region surrounding the likelihood peak. The algorithm requires O(N(sub d)(exp 3/2) operations and O(Nd) storage for each likelihood evaluation, and allows for significant parallel computation.

Kogut, Alan J.↗
DOE OSTI2018

Voltage Stability Assessment Using Synchronized Phasor Measurements Applied to the Argentine Power System

This paper presents tests of different methods for long term voltage stability analysis based on PMU measurements. In particular, Thevenin Impedance Matching and sensitivity calculation are studied. Simulation are performed in a modified Argentine power system model, to include the main components for studying long term voltage stability. Disconnection of a large Thermal Generating Station causing long-term voltage instability at Gran Buenos Aires Area is studied. It is shown that computing the apparent impedance of Thevenin equivalent at load bus from measurements taken at a single time but at various locations of the transmission corridor produce a significant reduction of the estimation error produce when only local measurements are used. Voltage Stability analysis is performed using a reduced power system model where changing parameters are fully computed through PMU data at each time. Over this reduced power system model, voltage stability index and sensibility calculations are performed.

Gill-Estebez, Pablo↗
NASA NTRS1985

Control of a Flexible Space Antenna: A Finite Dimensional Perspective Based on Distributed Parameter Theory

The methods presented are based on results from infinite dimensional control theory, but they can be described and used in a finite dimensional context. This blend leads to an approach which employs powerful ideas on convergence, and is also quite practical for systems of realistic complexity. Appropriate reduced order models are generated simultaneously with the development of the compensator. The required models change as a function of changes in the performance demanded, sensor and actuator location, inherent damping, disturbances, etc. Thus they are driven by the control and estimation problems at hand. The compensators which emerge are very close to the ideal compensators which would be obtained with a very large order model. However, some simplification is frequently possible. The method of balanced realizations was found to be effective for this purpose.

Mingori, D. L.↗
DOE OSTI2016

The geostatistical approach for structural and stratigraphic framework analysis of offshore NW Bonaparte Basin, Australia

Geostatistics or statistical approach is based on the studies of temporal and spatial trend, which depend upon spatial relationships to model known information of variable(s) at unsampled locations. The statistical technique known as kriging was used for petrophycial and facies analysis, which help to assume spatial relationship to model the geological continuity between the known data and the unknown to produce a single best guess of the unknown. Kriging is also known as optimal interpolation technique, which facilitate to generate best linear unbiased estimation of each horizon. The idea is to construct a numerical model of the lithofacies and rock properties that honor available data and further integrate with interpreting seismic sections, techtonostratigraphy chart with sea level curve (short term) and regional tectonics of the study area to find the structural and stratigraphic growth history of the NW Bonaparte Basin. By using kriging technique the models were built which help to estimate different parameters like horizons, facies, and porosities in the study area. The variograms were used to determine for identification of spatial relationship between data which help to find the depositional history of the North West (NW) Bonaparte Basin.

58 GEOSCIENCES↗
DOE OSTI2016

SU-D-207A-07: The Effects of Inter-Cycle Respiratory Motion Variation On Dose Accumulation in Single Fraction MR-Guided SBRT Treatment of Renal Cell Carcinoma

Purpose: To assess the dose deposition in simulated single-fraction MR-Linac treatments of renal cell carcinoma, when inter-cycle respiratory motion variation is taken into account using online MRI. Methods: Three motion characterization methods, with increasing complexity, were compared to evaluate the effect of inter-cycle motion variation and drifts on the accumulated dose for an SBRT kidney MR-Linac treatment: 1) STATIC, in which static anatomy was assumed, 2) AVG-RESP, in which 4D-MRI phase-volumes were time-weighted, based on the respiratory phase and 3) PCA, in which 3D volumes were generated using a PCA-model, enabling the detection of inter-cycle variations and drifts. An experimental ITV-based kidney treatment was simulated in a 1.5T magnetic field on three volunteer datasets. For each volunteer a retrospectively sorted 4D-MRI (ten respiratory phases) and fast 2D cine-MR images (temporal resolution = 476ms) were acquired to simulate MR-imaging during radiation. For each method, the high spatio-temporal resolution 3D volumes were non-rigidly registered to obtain deformation vector fields (DVFs). Using the DVFs, pseudo-CTs (generated from the 4D-MRI) were deformed and the dose was accumulated for the entire treatment. The accuracies of all methods were independently determined using an additional, orthogonal 2D-MRI slice. Results: Motion was most accurately estimated using the PCA method, which correctly estimated drifts and inter-cycle variations (RMSE=3.2, 2.2, 1.1mm on average for STATIC, AVG-RESP and PCA, compared to the 2DMRI slice). Dose-volume parameters on the ITV showed moderate changes (D99=35.2, 32.5, 33.8Gy for STATIC, AVG-RESP and PCA). AVG-RESP showed distinct hot/cold spots outside the ITV margin, which were more distributed for the PCA scenario, since inter-cycle variations were not modeled by the AVG-RESP method. Conclusion: Dose differences were observed when inter-cycle variations were taken into account. The increased inter-cycle randomness in motion as captured by the PCA model mitigates the local (erroneous) hotspots estimated by the AVG-RESP method.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1997

Improved Passive Microwave Algorithms for North America and Eurasia

Microwave algorithms simplify complex physical processes in order to estimate geophysical parameters such as snow cover and snow depth. The microwave radiances received at the satellite sensor and expressed as brightness temperatures are a composite of contributions from the Earth's surface, the Earth's atmosphere and from space. Owing to the coarse resolution inherent to passive microwave sensors, each pixel value represents a mixture of contributions from different surface types including deep snow, shallow snow, forests and open areas. Algorithms are generated in order to resolve these mixtures. The accuracy of the retrieved information is affected by uncertainties in the assumptions used in the radiative transfer equation (Steffen et al., 1992). One such uncertainty in the Chang et al., (1987) snow algorithm is that the snow grain radius is 0.3 mm for all layers of the snowpack and for all physiographic regions. However, this is not usually the case. The influence of larger grain sizes appears to be of more importance for deeper snowpacks in the interior of Eurasia. Based on this consideration and the effects of forests, a revised SMMR snow algorithm produces more realistic snow mass values. The purpose of this study is to present results of the revised algorithm (referred to for the remainder of this paper as the GSFC 94 snow algorithm) which incorporates differences in both fractional forest cover and snow grain size. Results from the GSFC 94 algorithm will be compared to the original Chang et al. (1987) algorithm and to climatological snow depth data as well.

Foster, James↗
NASA NTRS2011

Orthographic Stereo Correlator on the Terrain Model for Apollo Metric Images

A stereo correlation method on the object domain is proposed to generate the accurate and dense Digital Elevation Models (DEMs) from lunar orbital imagery. The NASA Ames Intelligent Robotics Group (IRG) aims to produce high-quality terrain reconstructions of the Moon from Apollo Metric Camera (AMC) data. In particular, IRG makes use of a stereo vision process, the Ames Stereo Pipeline (ASP), to automatically generate DEMs from consecutive AMC image pairs. Given camera parameters of an image pair from bundle adjustment in ASP, a correlation window is defined on the terrain with the predefined surface normal of a post rather than image domain. The squared error of back-projected images on the local terrain is minimized with respect to the post elevation. This single dimensional optimization is solved efficiently and improves the accuracy of the elevation estimate.

Terrain Model↗
NASA NTRS2015

Architecture, Voltage, and Components for a Turboelectric Distributed Propulsion Electric Grid (AVC-TeDP)

The purpose of this effort was to advance the selection, characterization, and modeling of a propulsion electric grid for a Turboelectric Distributed Propulsion (TeDP) system for transport aircraft. The TeDP aircraft would constitute a miniature electric grid with 50 MW or more of total power, two or more generators, redundant transmission lines, and multiple electric motors driving propulsion fans. The study proposed power system architectures, investigated electromechanical and solid state circuit breakers, estimated the impact of the system voltage on system mass, and recommended DC bus voltage range. The study assumed an all cryogenic power system. Detailed assumptions within the study include hybrid circuit breakers, a two cryogen system, and supercritical cyrogens. A dynamic model was developed to investigate control and parameter selection.

power↗