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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 1,639 records · Page 91

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NASA NTRS1994

Application of the coded long-pulse technique to plasma line studies of the ionosphere

Recently, the coded long-pulse radar technique was tested at Arecibo Observatory, Puerto Rico using photoelectron-enhanced plasma lines in the daytime ionosphere. The technique immediately proved to be a powerful diagnostic tool for studying natural ionospheric phenomena. Our initial observations indicate that extremely accurate measurements of absolute electron density (0.01 to 0.03% error bars) can be achieved with an altitude resolution of 150 m and a temporal resolution of approx. 2 s. In addition, the technique provides information about electron density structure within a 150-m altitude cell and yields parameters from which the energy spectrum of suprathermal electrons (equal to or greater than 5 eV) can be deduced. Our earliest measurements are used to illustrate applications of the coded long-pulse technique to several aeronomic/ionsospheric areas of current interest. These include studies of neutral wave motions in the lower thermosphere, measurements of ion composition in the F(sub 1) region/upper ionosphere, and investigations of electron-gas thermal balance and photoelectron energy loss processes. The technique can be utilized to examine irregularity formation in the F region, probe electron acceleration processes in ionospheric modification experiments, verify the magnetic field dependence of Langmuir wave damping, and more generally test higher order corrections suggested for the Langmuir dispersion relation. It is anticipated that the latter tests will facilitate measurements of ionospheric currents.

Djuth, Frank T.↗

NASA NTRS1995

Solar structure inversion with LOWL data

Inversion results for the radial hydrostatic structure of the Sun, using six months of oscillation data obtained with the LOWL instrument, are presented. Both low and intermediate degree modes are used, thus avoiding the systematic errors that might have occurred in previous inversions by merging more than one data set. Using modes of between 0 deg and 90 deg and frequencies of between 1.5 mHz and 3.5 mHz, the variations with depth of the speed of sound, the density and the pressure were inferred for radii of between 0.05 and 0.85 stellar radius. It was found that in this region, the sound speed was within 0.15% of that of a model constructed using an equation of state that incorporated helium diffusion. The density difference between the Sun and the model was less than 0.8%. Given the small error bars on the inversion results, these differences are considered as being significant.

Basu, Sarbani↗

NASA NTRS1977

Recent Loads Calibration Experience With a Delta Wing Airplane

Aircraft which are designed for supersonic and hypersonic flight are evolving with delta wing configurations. An integral part of the evolution of all new aircraft is the flight test phase. Included in the flight test phase is an effort to identify and evaluate the loads environment of the aircraft. The most effective way of examining the loads environment is to utilize calibrated strain gages to provide load magnitudes. Using strain gage data to accomplish this has turned out to be anything but a straightforward task. The delta wing configuration has turned out to be a very difficult type of wing structure to calibrate. Elevated structural temperatures result in thermal effects which contaminate strain gage data being used to deduce flight loads. The concept of thermally calibrating a strain gage system is an approach to solving this problem. This paper will address how these problems were approached on a program directed toward measuring loads on the wing of a large, flexible supersonic aircraft. Structural configurations typical of high-speed delta wing aircraft will be examined. The temperature environment will be examined to see how it induces thermal stresses which subsequently cause errors in loads equations used to deduce the flight loads.

Jenkins, Jerald M.↗

NASA NTRS2003

Divergence Free High Order Filter Methods for the Compressible MHD Equations

The generalization of a class of low-dissipative high order filter finite difference methods for long time wave propagation of shock/turbulence/combustion compressible viscous gas dynamic flows to compressible MHD equations for structured curvilinear grids has been achieved. The new scheme is shown to provide a natural and efficient way for the minimization of the divergence of the magnetic field numerical error. Standard diver- gence cleaning is not required by the present filter approach. For certain MHD test cases, divergence free preservation of the magnetic fields has been achieved.

Yea, H. C.↗

NASA NTRS2003

High Order Filter Methods for the Non-ideal Compressible MHD Equations

The generalization of a class of low-dissipative high order filter finite difference methods for long time wave propagation of shock/turbulence/combustion compressible viscous gas dynamic flows to compressible MHD equations for structured curvilinear grids has been achieved. The new scheme is shown to provide a natural and efficient way for the minimization of the divergence of the magnetic field numerical error. Standard divergence cleaning is not required by the present filter approach. For certain non-ideal MHD test cases, divergence free preservation of the magnetic fields has been achieved.

Yee, H. C.↗

NASA NTRS2005

Lightning Contribution to Improvement of Passive Microwave Vertical Structure and Rainfall Estimation

Joint observations from the TRMM mission are used to examine the contribution which lightning observations can make towards estimation of vertical structure and rainfall from passive microwave data. Passive microwave (TMI) observations are binned into distinct vertical structure categories based on cluster analysis of radar (PR) vertical profiles and convective/stratiform (C/S) classifiers. TMI rain estimates are high-biased relative to radar for stratiform and mixed convective/stratiform vertical structures and low-biased relative to radar for convective structures. Significant ambiguity exists in the TMI brightness temperature space between midlevel stratiform and convective profile types which are primary contributors to tropical rainfall. The ambiguity is worst for convective profile types with radar echo tops within and just above the mixed-phase region. The ability of TMI data (including all low and high frequency polarized brightness temperatures; 19V, 19H, 21V, 37V, 37H, 85V, 85H) to predict vertical structure is assessed. The incremental benefit of including TMI convective/stratiform (C/S) classifiers (both 85 GHz polarization and 19, 37 and 85 GHz texture-based) and LZS lightning observations is then considered. The use of all parameters (brightness temperatures, TMI C/S classifiers, lightning data, predicted vertical structure) to reduce TMI/PR rainfall estimate scatter is demonstrated. For both vertical structure and rainfall estimation, inclusion of C/S classifiers and lightning observations provide statistical skill improvements but do not completely alleviate critical midlevel profile C/S ambiguity and related rain estimate errors.

Boccippio, Dennis↗

NASA NTRS2009

Satellite-Scale Snow Water Equivalent Assimilation into a High-Resolution Land Surface Model

An ensemble Kalman filter (EnKF) is used in a suite of synthetic experiments to assimilate coarse-scale (25 km) snow water equivalent (SWE) observations (typical of satellite retrievals) into fine-scale (1 km) model simulations. Coarse-scale observations are assimilated directly using an observation operator for mapping between the coarse and fine scales or, alternatively, after disaggregation (re-gridding) to the fine-scale model resolution prior to data assimilation. In either case observations are assimilated either simultaneously or independently for each location. Results indicate that assimilating disaggregated fine-scale observations independently (method 1D-F1) is less efficient than assimilating a collection of neighboring disaggregated observations (method 3D-Fm). Direct assimilation of coarse-scale observations is superior to a priori disaggregation. Independent assimilation of individual coarse-scale observations (method 3D-C1) can bring the overall mean analyzed field close to the truth, but does not necessarily improve estimates of the fine-scale structure. There is a clear benefit to simultaneously assimilating multiple coarse-scale observations (method 3D-Cm) even as the entire domain is observed, indicating that underlying spatial error correlations can be exploited to improve SWE estimates. Method 3D-Cm avoids artificial transitions at the coarse observation pixel boundaries and can reduce the RMSE by 60% when compared to the open loop in this study.

De Lannoy, Gabrielle J.M.↗

NASA NTRS2017

Dynamic Positioning System (DPS) Risk Analysis Using Probabilistic Risk Assessment (PRA)

The National Aeronautics and Space Administration (NASA) Safety & Mission Assurance (S&MA) directorate at the Johnson Space Center (JSC) has applied its knowledge and experience with Probabilistic Risk Assessment (PRA) to projects in industries ranging from spacecraft to nuclear power plants. PRA is a comprehensive and structured process for analyzing risk in complex engineered systems and/or processes. The PRA process enables the user to identify potential risk contributors such as, hardware and software failure, human error, and external events. Recent developments in the oil and gas industry have presented opportunities for NASA to lend their PRA expertise to both ongoing and developmental projects within the industry. This paper provides an overview of the PRA process and demonstrates how this process was applied in estimating the probability that a Mobile Offshore Drilling Unit (MODU) operating in the Gulf of Mexico and equipped with a generically configured Dynamic Positioning System (DPS) loses location and needs to initiate an emergency disconnect. The PRA described in this paper is intended to be generic such that the vessel meets the general requirements of an International Maritime Organization (IMO) Maritime Safety Committee (MSC)/Circ. 645 Class 3 dynamically positioned vessel. The results of this analysis are not intended to be applied to any specific drilling vessel, although provisions were made to allow the analysis to be configured to a specific vessel if required.

Thigpen, Eric B.↗

NASA NTRS2017

Dynamic Positioning System (DPS) Risk Analysis Using Probabilistic Risk Assessment (PRA)

Thigpen, Eric B.↗

DOE OSTI2023

Spin-crossover complexes: Self-interaction correction vs density correction

Complexes containing a transition metal atom with a 3d 4 –3d 7 electron configuration typically have two low-lying, high-spin (HS) and low-spin (LS) states. The adiabatic energy difference between these states, known as the spin-crossover energy, is small enough to pose a challenge even for electronic structure methods that are well known for their accuracy and reliability. In this work, we analyze the quality of electronic structure approximations for spin-crossover energies of iron complexes with four different ligands by comparing energies from self-consistent and post-self-consistent calculations for methods based on the random phase approximation and the Fermi–Löwdin self-interaction correction. Considering that Hartree–Fock densities were found by Song et al., J. Chem. Theory Comput. 14, 2304 (2018), to eliminate the density error to a large extent, and that the Hartree–Fock method and the Perdew–Zunger-type self-interaction correction share some physics, we compare the densities obtained with these methods to learn their resemblance. Here, we find that evaluating non-empirical exchange-correlation energy functionals on the corresponding self-interaction-corrected densities can mitigate the strong density errors and improves the accuracy of the adiabatic energy differences between HS and LS states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties

Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant cost of molecular dynamics (MD) simulation in amorphous systems: the amorphous structure of polymers requires multiple, repeated sampling to reduce noise and the slow relaxation requires long simulation time for convergence. Here, we accelerate the screening with a multi-task graph neural network that learns from a large amount of noisy, unconverged, short MD data and a small number of converged, long MD data. We achieve accurate predictions of 4 different converged properties and screen a space of 6247 polymers that is orders of magnitude larger than previous computational studies. Further, we extract several design principles for polymer electrolytes and provide an open dataset for the community. Our approach could be applicable to a broad class of material discovery problems that involve the simulation of complex, amorphous materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Extraction of the neutron F 2 structure function from inclusive proton and deuteron deep-inelastic scattering data

The available world deep-inelastic scattering (DIS) data on proton and deuteron structure functions F 2 p , F 2 d , and their ratios are leveraged to extract the free neutron F 2 n structure function, the F 2 n / F 2 p ratio, and associated uncertainties using the latest nuclear effect calculations in the deuteron. Special attention is devoted to the normalization of the proton and deuteron experimental datasets and to the treatment of correlated systematic errors, as well as the quantification of procedural and theoretical uncertainties. The extracted F 2 n dataset is utilized to evaluate the Q 2 dependence of the Gottfried sum rule and the nonsinglet F 2 p − F 2 n moments. To facilitate replication of our study, as well as for general applications, we provide a comprehensive DIS database including all recent Jefferson Lab 6 GeV measurements, the extracted F n 2 , a modified CTEQ-JLab global parton distribution function fit named CJ15nlo_mod, and grids with calculated proton, neutron, and deuteron DIS structure functions. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

ZeoNet: 3D convolutional neural networks for predicting adsorption in nanoporous zeolites

Zeolites are one of the most widely used materials in the chemical industry due to their nanometer-sized pores that can adsorb and react upon molecules selectively. With hundreds of known framework topologies and hundreds of thousands of computationally predicted structures, the ability to rapidly predict zeolite performance allows researchers to prioritize their efforts on the most promising structures for a given application. Although the accuracy of forcefield-based atomistic simulations has advanced significantly in the past two decades, these simulations can be computationally expensive, especially for long-chain, complex molecules. Here, we present ZeoNet, a representation learning framework using convolutional neural networks (ConvNets) and 3D volumetric representations for predicting adsorption in zeolites. ZeoNet was trained on the task of predicting Henry's constants for adsorption, k H , of n-octadecane in more than 330 000 known and predicted zeolite materials. Employing a 3D grid based on the distances to solvent-accessible surfaces, a volumetric representation that can be generated efficiently, the best-performing ZeoNet achieved a correlation coefficient r 2 = 0.977 and a mean-squared error MSE = 3.8 in ln k H , which corresponds to an error of 9.3 kJ mol -1 in adsorption free energy. In comparison, a model based on hand-designed geometric features has values of r 2 = 0.783 and MSE = 35.7. ZeoNet is also relatively efficient and can process ≈8 structures per second on an Nvidia RTX 2080TI GPU, orders of magnitude faster than forcefield-based simulations. A systematic analysis was conducted to investigate how the choice of ConvNet architectures, the linear dimension (L) and spatial resolution (Δd) of the distance grids, batch size, optimizer, and learning rate impact the model performance. We found that ConvNets based on the ResNet architecture offer the best tradeoff between expressiveness and efficiency. The performance for all models reaches a plateau at L = 30–45 Å and depends less sensitively on grid resolution, with a small benefit around Δd = 0.30–0.45 Å. Finally, saliency maps were visualized to identify which regions of the materials contributed the most to model predictions. It was found, interestingly, that the predictions are driven primarily by the accessible pore volume rather than the region occupied by the framework atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2019

A magnetic phase diagram for nanoscale epitaxial BiFeO 3 films

BiFeO 3 thin films have attracted considerable attention by virtue of their potential application in low-energy spintronic and magnonic devices. BiFeO 3 possesses an intricate magnetic structure, characterized by a spin cycloid with period ~62 nm that governs the functional magnonic response, and which can be modulated or even destroyed by strain, magnetic and electric fields, or chemical doping. The literature on (110)-oriented BiFeO 3 films is not explicit in defining the conditions under which this cycloid persists, as its presence depends on synthesis method and thin-film boundary conditions, especially in the sub-100 nm thickness regime. This report aims to end “trial and error” approaches in determining the conditions under which this cycloid and its associated functional magnonic response exist. We show that in specific crystallographic orientations of epitaxial BiFeO 3 , an unexplored strain parameter—the distortion in the ab plane of the monoclinic unit cell—significantly influences the spin structure. Combining Mössbauer spectroscopy and low-energy Raman spectroscopy with first-principles-based effective Hamiltonian calculations, we show that both average strain and this distortion destroy the cycloid. For films grown on (110)-oriented SrTiO 3 substrates, if the BiFeO 3 lattice parameters a and b differ by more than about 1.2%, the cycloid is destabilized, resulting in a pseudocollinear magnetic order ground state. We are thereby able to construct a phase diagram of the spin structure for nanoscale epitaxial BiFeO 3 films, which aims to resolve long-standing literature inconsistencies and provide powerful guidelines for the design of future magnonic and spintronic devices.

36 MATERIALS SCIENCE↗

NASA NTRS1984

Identification of the dynamics of a two-dimensional grid structure using least square lattice filters

It is doubtful whether the dynamics of large space structures (LSS) can be predicted well enough for control system design applications. Hence, dynamic modeling from on-orbit measurements followed by a modification of the control system is of interest, taking into account the utilization of adaptive control concepts. The present paper is concerned with the model determination phase of the adaptive control problem. Using spectral decoupling to determine mode shapes, mode frequency and damping data can be obtained with the aid of an equation error parameter identification method. This method employs a second-order auto-regressive moving average (ARMA) model to represent the natural mode amplitudes. The discussed procedure involves an extension of the application of the least square lattice filter in system identification to a nonintegral, two-dimensional grid structure made of overlapping bars.

Montgomery, R. C.↗

DOE OSTI2024

Estimating the Contributions to Human Error Probability from the Convolution of the Distribution of Time Available and Time Required

As part of their duties, Human Reliability Analysis must often evaluate if crews in nuclear power plants (NPPs) can complete tasks associated with a human-failure event within time limits. For example, the time required in NPP scenarios is determined by systematic and structured walkthroughs, feasibility studies, recorded times from training exercises, and interviews with experienced operators and experts. Typically, a point estimate is derived for the estimate (mean, maximum, or 95th percentile of time required). Using point-estimate values can mask the risk associated with variability among crews, plant conditions and set-up, environmental conditions, and other impact factors under which these actions are executed. While point estimates for time required and time available have served the industry well, without considering the uncertainty they could lead to biased understanding about the risk. The Integrated Human Event Analysis System - General Methodology (IDHEAS-G) model (developed by the US Nuclear Regulatory Commission, NRC) for human error probability calculates human error probability by summing two probabilities: insufficient time and cognitive error. As such, the model takes a more holistic approach by considering the full distributions for time required and time available to calculate the human error probability because the time available to complete the task is insufficient. In this study, we expand on the work of the NRC and discuss methods for estimating these time considerations. For example, for the time required, the impact of Performance Influencing Factors (PIFs) on the distribution was divided into impacts that are aleatory in nature, such as crew-to-crew variability, and those that are epistemic (i.e., the PIFs). Starting with the factors that introduce aleatory uncertainty, a first-order distribution was developed from a large set of time required (i.e., NPP task completion times) data for the range of operator actions that occur in the NPP control room under simulated accident conditions. The first-order distribution can then be adjusted to account for epistemic uncertainty using research associated with the impact of applicable PIFs on the time required. We also develop guidance for analysts to address the probability distributions for the time available. The guidance we developed on how to estimate time required and time available distributions is based on the identification of pertinent research and data, data analyses, and expert knowledge elicitation.

human error probability, human performance, time e↗

DOE OSTI2021

Efficient Space–Time Reduced Order Model for Linear Dynamical Systems in Python Using Less than 120 Lines of Code

A classical reduced order model (ROM) for dynamical problems typically involves only the spatial reduction of a given problem. Recently, a novel space–time ROM for linear dynamical problems has been developed [Choi et al., Space–tume reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems, Journal of Computational Physics, 2020], which further reduces the problem size by introducing a temporal reduction in addition to a spatial reduction without much loss in accuracy. The authors show an order of a thousand speed-up with a relative error of less than 10−5 for a large-scale Boltzmann transport problem. In this work, we present for the first time the derivation of the space–time least-squares Petrov–Galerkin (LSPG) projection for linear dynamical systems and its corresponding block structures. Utilizing these block structures, we demonstrate the ease of construction of the space–time ROM method with two model problems: 2D diffusion and 2D convection diffusion, with and without a linear source term. For each problem, we demonstrate the entire process of generating the full order model (FOM) data, constructing the space–time ROM, and predicting the reduced-order solutions, all in less than 120 lines of Python code. We compare our LSPG method with the traditional Galerkin method and show that the space–time ROMs can achieve O(10−3) to O(10−4) relative errors for these problems. Depending on parameter–separability, online speed-ups may or may not be achieved. For the FOMs with parameter–separability, the space–time ROMs can achieve O(10) online speed-ups. Finally, we present an error analysis for the space–time LSPG projection and derive an error bound, which shows an improvement compared to traditional spatial Galerkin ROM methods.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2005

Protograph based LDPC codes with minimum distance linearly growing with block size

We propose several LDPC code constructions that simultaneously achieve good threshold and error floor performance. Minimum distance is shown to grow linearly with block size (similar to regular codes of variable degree at least 3) by considering ensemble average weight enumerators. Our constructions are based on projected graph, or protograph, structures that support high-speed decoder implementations. As with irregular ensembles, our constructions are sensitive to the proportion of degree-2 variable nodes. A code with too few such nodes tends to have an iterative decoding threshold that is far from the capacity threshold. A code with too many such nodes tends to not exhibit a minimum distance that grows linearly in block length. In this paper we also show that precoding can be used to lower the threshold of regular LDPC codes. The decoding thresholds of the proposed codes, which have linearly increasing minimum distance in block size, outperform that of regular LDPC codes. Furthermore, a family of low to high rate codes, with thresholds that adhere closely to their respective channel capacity thresholds, is presented. Simulation results for a few example codes show that the proposed codes have low error floors as well as good threshold SNFt performance.

minimum decoding↗