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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Application of radiative image transfer theory to the assessment of the overall OTF and contrast degradation of an image in an inhomogeneous turbulent and turbid atmosphere

A perturbation-theoretic approximation of the radiative transfer equation which neglects photon dispersion is used as a modeling basis for the propagation of the image of a self-luminous target through a turbulent atmosphere which also possesses inhomogeneously distributed turbidity along the propagation path. A contrast ratio is then introduced which provides an indicator of the relative contribution of the unscattered or coherent image component to that of the scattered or incoherent image component. Analytical expressions are then derived for the contrast ratio from the approximate form of the radiative transfer equation in the case of an inhomogeneously dispersed Joss thunderstorm rain distribution in the presence of turbulence. The case is clearly demonstrated for the need to consider a measure of the points of demarcation at which the dominant roles of the scattering processes due to turbidity and turbulence are exchanged. Such a measure can provide a performance parameter for the application of adaptive optics methods that are specific to the particular dominant scattering mechanism given the prevailing target size, total propagation length and overall propagation parameters.

Manning, Robert M.↗
DOE OSTI2020

Spatial Engineering Direct Cooperativity between Binding Sites for Uranium Sequestration

Preorganization is a basic design principle used by nature that allows for synergistic pathways to be expressed. Herein, a full account of the conceptual and experimental development from randomly distributed functionalities to a convergent arrangement that facilitates cooperative binding is given, thus conferring exceptional affinity toward the analyte of interest. The resulting material with chelating groups populated adjacently in a spatially locked manner displays up to two orders of magnitude improvement compared to a random and isolated manner using uranium sequestration as a model application. This adsorbent shows exceptional extraction efficiencies, capable of reducing the uranium concentration from 5 ppm to less than 1 ppb within 10 min, even though the system is permeated with high concentrations of competing ions. The efficiency is further supported by its ability to extract uranium from seawater with an uptake capability of 5.01 mg g -1 , placing it among the highest-capacity seawater uranium extraction materials described to date. The concept presented here uncovers a new paradigm in the design of efficient sorbent materials by manipulating the spatial distribution to amplify the cooperation of functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Description of small-scale fluctuations in the diffuse X-ray background.

An analytical study of the fluctuations on a small angular scale expected in the diffuse X-ray background in the presence of unresolved sources is presented. The source population is described by a function N(S), giving the number of sources per unit solid angle and unit apparent flux S. The distribution of observed flux, s, in each angular resolution element of a complete sky survey is represented by a function Q(s). The analytical relation between the successive, higher-order moments of N(S) and Q(s) is described. The goal of reconstructing the source population from the study of the moments of Q(s) of order higher than the second (i.e., the rms fluctuations) is discussed.

Cavaliere, A.↗
NASA NTRS1998

Simulation of Crack Propagation in Engine Rotating Components under Variable Amplitude Loading

The crack propagation life of tested specimens has been repeatedly shown to strongly depend on the loading history. Overloads and extended stress holds at temperature can either retard or accelerate the crack growth rate. Therefore, to accurately predict the crack propagation life of an actual component, it is essential to approximate the true loading history. In military rotorcraft engine applications, the loading profile (stress amplitudes, temperature, and number of excursions) can vary significantly depending on the type of mission flown. To accurately assess the durability of a fleet of engines, the crack propagation life distribution of a specific component should account for the variability in the missions performed (proportion of missions flown and sequence). In this report, analytical and experimental studies are described that calibrate/validate the crack propagation prediction capability ]or a disk alloy under variable amplitude loading. A crack closure based model was adopted to analytically predict the load interaction effects. Furthermore, a methodology has been developed to realistically simulate the actual mission mix loading on a fleet of engines over their lifetime. A sequence of missions is randomly selected and the number of repeats of each mission in the sequence is determined assuming a Poisson distributed random variable with a given mean occurrence rate. Multiple realizations of random mission histories are generated in this manner and are used to produce stress, temperature, and time points for fracture mechanics calculations. The result is a cumulative distribution of crack propagation lives for a given, life limiting, component location. This information can be used to determine a safe retirement life or inspection interval for the given location.

Bonacuse, P. J.↗
NASA NTRS1999

Simulation of Crack Propagation in Engine Rotating Components Under Variable Amplitude Loading

The crack propagation life of tested specimens has been repeatedly shown to strongly depend on the loading history. Overloads and extended stress holds at temperature can either retard or accelerate the crack growth rate. Therefore, to accurately predict the crack propagation life of an actual component, it is essential to approximate the true loading history. In military rotorcraft engine applications, the loading profile (stress amplitudes, temperature, and number of excursions) can vary significantly depending on the type of mission flown. To accurately assess the durability of a fleet of engines, the crack propagation life distribution of a specific component should account for the variability in the missions performed (proportion of missions flown and sequence). In this report, analytical and experimental studies are described that calibrate/validate the crack propagation prediction capability for a disk alloy under variable amplitude loading. A crack closure based model was adopted to analytically predict the load interaction effects. Furthermore, a methodology has been developed to realistically simulate the actual mission mix loading on a fleet of engines over their lifetime. A sequence of missions is randomly selected and the number of repeats of each mission in the sequence is determined assuming a Poisson distributed random variable with a given mean occurrence rate. Multiple realizations of random mission histories are generated in this manner and are used to produce stress, temperature, and time points for fracture mechanics calculations. The result is a cumulative distribution of crack propagation lives for a given, life limiting, component location. This information can be used to determine a safe retirement life or inspection interval for the given location.

P J Bonacuse↗
NASA NTRS2003

Broadband Trailing Edge Noise Predictions in the Time Domain

A recently developed analytic result in acoustics, "Formulation 1B," is used to compute broadband trailing edge noise from an unsteady surface pressure distribution on a thin airfoil in the time domain. This formulation is a new solution of the Ffowcs Willliams-Hawkings equation with the loading source term, and has been shown in previous research to provide time domain predictions of broadband noise that are in excellent agreement with experimental results. Furthermore, this formulation lends itself readily to rotating reference frames and statistical analysis of broadband trailing edge noise. Formulation 1B is used to calculate the far field noise radiated from the trailing edge of a NACA 0012 airfoil in low Mach number flows, by using both analytical and experimental data on the airfoil surface. The acoustic predictions are compared with analytical results and experimental measurements that are available in the literature. Good agreement between predictions and measurements is obtained.

Casper, Jay↗
DOE OSTI2021

Neutron Irradiation Induced Changes in Isotopic Abundance of 6Li and 3D Nanoscale Distribution of Tritium in LiAlO2 Pellets Analyzed by Atom Probe Tomography

Tritium, a radioactive isotope of hydrogen is produced by neutron irradiation of 6Li enriched LiAlO2 pellets in Tritium producing burnable absorber rods (TPBARs). Three-dimensional nanoscale mapping of Tritium in irradiated pellets is critical to understand its spatial variation and its association with various microstructural features in the pellets. Spatially resolved analysis of 6Li isotopic enrichment in such ceramic pellets before and after irradiation can provide insights to heterogeneities in Li isotopic distribution. However, Li being a light isotope, its spatially resolved compositional or isotopic analysis is a challenging task to most analytical methods. Here we used atom probe tomography, to evaluate the Li isotopic enrichment in both the LiAlO¬2 matrix and the Li deficient secondary phase LiAl5O8 before irradiation. These results were then compared with 6Li isotopic ratio measured by APT analysis of neutron irradiated pellets to clearly demonstrate the unique capability of APT to quantitatively analyze the isotopic enrichment of 6Li as well as for other light elements present in these materials. Evidence for heterogenous nanoscale distribution of 3H and O3H within irradiated pellet microstructure is also provided, which is attributed to 3H trapping in irradiation induced vacancy clusters or voids within the LiAlO2 matrix. The characterization results given here, now prove the feasibility for using APT for analyzing nanoscale spatially resolved isotopic enrichment of Li as well as other light elements such as Tritium in TPBARs. This work also paves way to adopt APT for analyzing light elements such as Li and tritium in materials used for nuclear fusion reactor applications, geochemistry, astrophysics as well as for energy storage applications.

Devaraj, Arun↗
NASA NTRS2021

Expected Collision Rates for Tracked Satellites

This analysis estimates collision risks between tracked satellites based on the statistically expected collision rate _Nc and number of collisions Nc, which are closely related to the collision probability Pc. For isolated encounters, Nc equals Pc. For multi-encounter interactions, Nc can exceed Pc and is significantly easier to approximate semi-analytically. Estimating Nc requires integrating the collision rate over time throughout an interaction, with each required _Nc value calculated as a statistical expectation value based on the uncertainty distributions of initial orbital states. The uncertainty distributions are estimated from orbit determination analyses of satellite trajectory measurements. The formulation accounts for the nonlinear orbital motion of the satellites, and derives Nc and _Nc expressions for Monte Carlo simulations as well as semi-analytical approximations for single- and multi-encounter interactions.

Collision Rates↗
DOE OSTI2026

Determination of nuclear PDFs using Markov chain Monte Carlo methods

Global QCD analyses of nuclear parton distribution functions (nPDFs) have traditionally relied on the Hessian method for uncertainty estimation. However, the inherent Gaussian approximation and reliance on local curvature often prove insufficient for nPDF fits, which are frequently characterized by limited data constraints and non-Gaussian likelihoods. In this paper, we present the first nPDF determination based on Markov Chain Monte Carlo (MCMC) techniques, implemented within the nCTEQ framework using an adaptive Metropolis-Hastings algorithm. The MCMC approach enables a direct mapping of the posterior distribution and reveals a highly nontrivial parameter-space structure, including multiple modes and pronounced non-Gaussian behavior, particularly for the valence PDFs. We perform the first single-nucleus global analysis of lead PDFs using exclusively lead data and compare it to a multi-nuclei fit employing a standard analytic A dependence. The inclusion of lighter nuclei reduces quark uncertainties and modifies the shape of the lead PDFs, while leaving the gluon distribution largely unaffected. A complementary Hessian analysis exposes systematic limitations of the Gaussian approximation. Our results demonstrate that MCMC methods provide a more reliable framework for uncertainty quantification in nPDF determinations.

Derakhshanian, N. [Institute of Nuclear Physics Po↗
DOE OSTI2021

Analytic and numerical vibronic spectra from quasi-classical trajectory ensembles

The truncated Wigner approximation to quantum dynamics in phase space is explored in the context of computing vibronic line shapes for monomer linear optical spectra. We consider multiple model potential forms including a shifted harmonic oscillator with both equal and unequal frequencies on the ground and excited state potentials as well as a shifted Morse potential model. For the equal-frequency shifted harmonic oscillator model, we derive an analytic expression for the exact vibronic line shape that emphasizes the importance of using a quantum mechanical distribution of phase space initial conditions. For the unequal-frequency shifted harmonic oscillator model, we are no longer able to obtain an exact expression for the vibronic line shape in terms of independent deterministic classical trajectories. We show how one can rigorously account for corrections to the truncated Wigner approximation through nonlinear responses of the line shape function to momentum fluctuations along a classical trajectory and demonstrate the qualitative improvement in the resulting spectrum when the leading-order quantum correction is included. Finally, we numerically simulate absorption spectra of a highly anharmonic shifted Morse potential model. We find that, while finite quantization and the dissociation limit are captured with reasonable accuracy, there is a qualitative breakdown of the quasi-classical trajectory ensemble’s ability to describe the vibronic line shape when the relative shift in Morse potentials becomes large. The work presented here provides clarity on the origin of unphysical negative features known to contaminate absorption spectra computed with quasi-classical trajectory ensembles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Generalized filtered lifting line theory for arbitrary chord lengths and application to wind turbine blades

Abstract The filtered lifting line theory is an analytical approach used to solve the equations of flow subjected to body forces with a Gaussian distribution, such as used in the actuator line model. In the original formulation, the changes in chord length along the blade were assumed to be small. This assumption can lead to errors in the induced velocities predicted by the theory compared to full solutions of the equations. In this work, we revisit the original derivation and provide a more general formulation that can account for significant changes in chord along the blade. The revised formulation can be applied to wings with significant changes in chord along the span, such as wind turbine blades.

17 WIND ENERGY↗
DOE OSTI2023

Phase-field modeling of alloy oxidation at high temperatures

Oxide growth is a complex process involving transport of reactive species, heterogeneous reactions, and microstructure evolution. Predicting oxidation kinetics and especially the oxide morphological change has been a long-standing challenge. Here we develop a phase-field model for predicting the oxide growth kinetics of a multicomponent alloy during high temperature oxidation, focusing on internal oxidation (non-protective) and its transition to external oxidation (protective). In this work, the predicted kinetics and oxide morphology are analyzed and compared to the classical Wagner’s theory and an existing analytical model by Zhao and Gleeson. Some assumptions used in the analytical models and the limitation are discussed. In addition, it is demonstrated that the morphology and distribution of the initial oxide nuclei play an important role in the later stage oxide connectivity and thus the transition to external oxidation.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accelerating Markov Chain Monte Carlo sampling with diffusion models

Global fits of physics models require efficient methods for exploring high-dimensional and/or multimodal posterior functions. We introduce a novel method for accelerating Markov Chain Monte Carlo (MCMC) sampling by pairing a Metropolis-Hastings algorithm with a diffusion model that can draw global samples with the aim of approximating the posterior. We briefly review diffusion models in the context of image synthesis before providing a streamlined diffusion model tailored towards low-dimensional data arrays. We then present our adapted Metropolis-Hastings algorithm which combines local proposals with global proposals taken from a diffusion model that is regularly trained on the samples produced during the MCMC run. Our approach leads to a significant reduction in the number of likelihood evaluations required to obtain an accurate representation of the Bayesian posterior across several analytic functions, as well as for a physical example based on a global fit of parton distribution functions. Our method is extensible to other MCMC techniques, and we briefly compare our method to similar approaches based on normalising flows. A code implementation can be found at https://github.com/NickHunt-Smith/MCMC-diffusion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Atomic-scale characterization of (electro-)catalysts and battery materials by atom probe tomography

To optimise the performance of heterogeneous (electro-)catalysts and battery electrodes, it is essential to establish the structure-property relationships. This can only be achieved by obtaining a full three-dimensional (3D) characterisation of atomic-scale structure and chemistry of these advanced materials. Atom probe tomography (APT) can provide unique insights into 3D elemental distribution, including low atomic mass elements, with sub-nanometer spatial resolution. Despite its superior chemical analytical capability and spatial resolution, APT has limited applications for sustainable energy materials due to technical and analytical challenges. The recent developments in experimental setups, sample preparation methods and data analysis algorithms have opened the door to the possibility of analysing heterogeneous (electro-)catalysts and battery electrodes. This perspective provides an overview of these developments, exemplified by recent achievements of analyzing model heterogeneous model (electro-)catalysts, nanoparticles, zeolites, MOFs and Li-ion battery electrodes, followed by a discussion of limitations, opportunities, and potentials of APT for future scientific exploration.

atom probe tomography↗
DOE OSTI2021

Tempering stochastic density functional theory

Here, we introduce a tempering approach with stochastic density functional theory (sDFT), labeled t-sDFT, which reduces the statistical errors in the estimates of observable expectation values. This is achieved by rewriting the electronic density as a sum of a "warm" component complemented by "colder" correction(s). Since the warm component is larger in magnitude but faster to evaluate, we use many more stochastic orbitals for its evaluation than for the smaller-sized colder correction(s). This results in a significant reduction in the statistical fluctuations and systematic deviation compared to sDFT for the same computational effort. We demonstrate the method's performance on large hydrogen-passivated silicon nanocrystals, finding a reduction in the systematic deviation in the energy by more than an order of magnitude, while the systematic deviation in the forces is also quenched. Similarly, the statistical fluctuations are reduced by factors of ≈4-5 for the total energy and ≈1.5-2 for the forces on the atoms. Since the embedding in t-sDFT is fully stochastic, it is possible to combine t-sDFT with other variants of sDFT such as energy-window sDFT and embedded-fragmented sDFT.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Chemical enrichment and radial migration in the Galactic disc – the origin of the [αFe] double sequence

The ([α/Fe], [Fe/H]) distribution of Milky Way stars shows at least two distinct sequences, which have traditionally been associated with the thin and thick disc components. The abundance distribution varies systematically with location R and |z| across the Galaxy. We reproduce this using an analytical chemodynamical model that includes the effects of radial migration and kinematic heating. Unlike some earlier models, our scheme does not require a distinct thick disc component emerging from a separate evolutionary path. The proposed model has a continuous star formation history and a continuous age velocity dispersion relation. Moreover, [α/Fe] is constant for stellar ages less than 8 Gyr, but increases sharply for older stars over a time-scale of 1.5 Gyr. The gap between the two sequences is due to this sharp transition. We show that the high-[α/Fe] sequence at the low-metallicity end is simply a pile-up of old stars, but towards the high-metallicity end, the age progressively decreases and stars have small birth radii. Our model successfully explains the uniformity of the locus of the high-[α/Fe] sequence across different locations. The low-[α/Fe] sequence contains stars with different birth radii that owes its existence to radial migration. For the low-[α/Fe] stars, angular momentum is anticorrelated with [Fe/H], while the opposite is true for high-[α/Fe] stars. We show that the later trend can be explained by the increase of circular velocity with time. If radial migration is not included, the model fails to generate the double sequence and instead shows only a single sequence. Our simple scheme has major advantages over earlier chemodynamical models, as we show.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Synchrotron self-Compton in a radiative-adiabatic fireball scenario: modelling the multiwavelength observations in some Fermi /LAT bursts

Energetic GeV photons expected from the closest and the most energetic Gamma-ray bursts (GRBs) provide a unique opportunity to study the very-high-energy emission as well as the possible correlations with lower energy bands in realistic GRB afterglow models. In the standard GRB afterglow model, the relativistic homogeneous shock is usually considered to be fully adiabatic, however, it could be partially radiative. Based on the external forward-shock scenario in both stellar wind and constant-density medium, we present a radiative-adiabatic analytical model of the synchrotron self-Compton (SSC) and synchrotron processes considering an electron energy distribution with a power-law index of $1\lt p\lt 2$ and $2\le p$. We show that the SSC scenario plays a relevant role in the radiative parameter $\epsilon$, leading to a prolonged evolution during the slow cooling regime. In a particular case, we derive the Fermi/LAT light curves together with the photons with energies $\ge 100$ MeV in a sample of nine bursts from the second Fermi/LAT GRB catalogue that exhibited temporal and spectral indices with $\gtrsim 1.5$ and $\approx 2$, respectively. These events can hardly be described with closure relations of the standard synchrotron afterglow model, and also exhibit energetic photons above the synchrotron limit. We have modelled the multiwavelength observations of our sample to constrain the microphysical parameters, the circumburst density, the bulk Lorentz factor, and the mechanism responsible for explaining the energetic GeV photons.

acceleration of particles↗
DOE OSTI2025

Near Resonance between the Shelf Ocean and Semidiurnal Atmospheric Tidal Winds

This manuscript illustrates the resonance between continental shelf oceans and the semidiurnal atmospheric tidal wind, explaining O(10 −2 ) m semidiurnal sea surface height (SSH) variations in detided datasets. The resonance, similar to amplification of semidiurnal oceanic tides on the gentle and wide shelf, results in pronounced, offshore-attenuated standing waves on the shelf which is driven by the cross-shore pressure gradient force, Coriolis force, and the rotary wind stress. Observations and numerical results from the Texas–Louisiana shelf confirm this mechanism, where a significant presence of the semidiurnal tidal wind couples with O(10 −1 ) m s −1 ocean currents, influencing SSH distribution and sustaining the wave structure. The consistency of the interaction and momentum budgets with the analytical solution suggests the robustness of the semidiurnal atmospheric tidal wind interacting with the shelf ocean. Notably, these findings suggest that similar resonances could occur on other gentle shelves known for enhancing semidiurnal oceanic tides and contribute 3%–10% of the wind work.

Atmosphere-ocean interaction↗