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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

A theoretical and experimental investigation of the hypersonic turbulent boundary layer subject to normal and longitudinal pressure gradients and cross flow along a windward plane of symmetry.

A theoretical and experimental investigation for the hypersonic turbulent boundary layer undergoing both normal and longitudinal pressure gradients and cross flow along the plane of symmetry on the windward side of a body of revolution is presented. The purpose of this investigation is to provide a method for calculating boundary layers that occur on the centerline of symmetry of an inlet. The three-dimensional compressible integral equations are written along the symmetry plane and integrated numerically, and the effect of the cross flow on the behavior of the boundary layer is also studied. The experiments were performed at Mach number 6 and Reynolds number of 44,000,000/ft for the axisymmetric case and for the case with cross flow. The velocity profiles and the boundary layer parameters agree relatively well with theoretical values with and without cross flow effects. The presence of the cross flow alters significantly the value of the profiles. Total temperature-velocity correlations deviate from the linear Crocco distribution. Heat transfer rates agree with theoretical values and values obtained by the flat plate reference enthalpy method. Cross flow influence on the heat transfer rates is of minor relevance.

Zakkay, V.↗
DOE OSTI2025

Machine-learning-informed scattering correlation analysis of sheared colloids

We have carried out theoretical analysis, Monte Carlo simulations and machine-learning analysis to quantify microscopic rearrangements of dilute dispersions of spherical colloidal particles from coherent scattering intensity. Both monodisperse and polydisperse dispersions of colloids were created and underwent a rearrangement consisting of an affine simple shear and non-affine rearrangement using the Monte Carlo method. We calculated the coherent scattering intensity of the dispersions and the correlation function of intensity before and after the rearrangement and generated a large data set of angular correlation functions for varying system parameters, including number density, polydispersity, shear strain and non-affine rearrangement. Singular value decomposition of the data set shows the feasibility of machine-learning inversion from the correlation function for the polydispersity, shear strain and non-affine rearrangement using only three parameters. A Gaussian process regressor is then trained on the data set and can retrieve the affine shear strain, non-affine rearrangement and polydispersity with relative errors of 3%, 1% and 6%, respectively. Altogether, our model provides a framework for quantitative studies of both steady and non-steady microscopic dynamics of colloidal dispersions using coherent scattering methods.

Gaussian process regression↗
DOE OSTI2021

Complexity and near extremal charged black branes

Highlights: • Trying to explore a remedy to overcome the puzzle in holographic complexity by assuming a cutoff behind the horizon and the corresponding boundary term. • Holographic complexity growth obtained by the WDW patch on shell action is insensitive to the UV cutoff at the late time. Therefore one may conclude that either on shell action does not compute complexity, or the late time is not given by the physical charges, or in our computations we have missed something! • We find that one needs to carefully compute on shell action taking into account the behind the horizon and the corresponding boundary term. Doing so, one arrives at a consistent picture. • We check this consistency by evaluating the late time complexity growth for near horizon limit of the near extremal black hole using two different methods. We would have obtained non-consistent picture, if we had not considered the behind the horizon cutoff as well as the corresponding boundary term. We compute holographic complexity of charged black brane solutions in arbitrary dimensions for the near horizon limit of near extremal case using two different methods. The corresponding complexity may be obtained either by taking the limit from the complexity of the charged black brane, or by computing the complexity for near horizon limit of near extremal solution. One observes that these results coincide if one assumes to have a cutoff behind horizon whose value is fixed by UV cutoff and also taking into account a proper counterterm evaluated on this cutoff. We also consider the situation for Vaidya charged black branes too.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Application of chord length distributions and principal component analysis for quantification and representation of diverse polycrystalline microstructures

Highlights: • Microstructure quantification based on directional chord length distribution and principal component analysis is presented • A boundary-based algorithm of calculations of chord length distributions is introduced • Utility of the quantification framework is shown in three case studies on synthetic, experimental, and simulation datasets • Angularly resolved chord length distribution captures essential details of grain size and shape in diverse microstructures • Low-dimensional representations of directional chord length distributions are obtained using principal component analysis - Abstract: Quantification of mesoscale microstructures of polycrystalline materials is important for a range of practical tasks of materials design and development. The current protocols of quantifying grain size and morphology often rely on microstructure metrics (e.g., mean grain diameter) that overlook important details of the mesostructure. In this work, we present a quantification framework based on directionally resolved chord length distribution and principal component analysis as a means of extracting additional information from 2-D microstructural maps. Towards this end, we first present in detail a method for calculating chord length distribution based on boundary segments available in modern digital datasets (e.g., from microscopy post-processing) and their low-rank representations by principal component analysis. The utility of the proposed framework for capturing grain size, morphology, and their anisotropy for efficient visualization, representation, and specification of polycrystalline microstructures is then demonstrated in case studies on datasets from synthetic generation, experiments (on Ni-base superalloys), and simulations (on steel during recrystallization).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Understanding Pore Filling Processes and Adsorption/Desorption Hysteresis in Nanoporous Metal–Organic Frameworks: Insights from Grand Canonical Monte Carlo Simulations and Free Energy Calculations

Grand canonical Monte Carlo (GCMC) simulations were used to investigate pore filling and hysteresis in nanoporous metal-organic frameworks (MOFs). Adsorption and desorption isotherms were calculated for argon at 87 K in 1866 MOFs from the CoRE MOF database and for short n-alkanes in selected MOFs, keeping the adsorbent structure rigid. Analysis of the molecular configurations showed two different mechanisms and origins of hysteresis: one involving a transition of the adsorbate arrangement in the pores similar to a gas-to-liquid transition associated with a large change in the loading and one more similar to a liquid-to-solid transition associated with a relatively small change in the loading. Our GCMC simulations in MOFs with diverse pore topologies indicate exceptions to an empirical relationship for the minimum diameter of a cylindical pore required for hysteresis as a function of the adsorbate diameter and reduced temperature. The simulations reveal some structures where isotherms exhibit two steps in the adsorption branch and only one step in the desorption branch. Hysteresis loops with a different number of adsorption and desorption steps are not common. Here, to better understand why hysteresis is observed in the GCMC simulations, the concept of the transition probability for observing a step in the adsorption isotherm at a given pressure in a GCMC simulation is introduced. We used two different methods to calculate the transition probabilities and find that these yield comparable results. Furthermore, the transition probability provides a measure for the length of GCMC simulations to yield reliable results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Machine learning approach to pattern recognition in nuclear dynamics from the ab initio symmetry-adapted no-core shell model

A novel machine learning approach is used to provide further insight into atomic nuclei and to detect orderly patterns amid a vast data of large-scale calculations. The method utilizes a neural network that is trained on ab initio results from the symmetry-adapted no-core shell model (SA-NCSM) for light nuclei. We show that the SA-NCSM, which expands ab initio applications up to medium-mass nuclei by using dominant symmetries of nuclear dynamics, can reach heavier nuclei when coupled with the machine learning approach. In particular, we find that a neural network trained on probability amplitudes for s- and p-shell nuclear wave functions not only predicts dominant configurations for heavier nuclei but in addition, when tested for the 20 Ne ground state, accurately reproduces the probability distribution. The non-negligible configurations predicted by the network provide an important input to the SA-NCSM for reducing ultralarge model spaces to manageable sizes that can be, in turn, utilized in SA-NCSM calculations to obtain accurate observables. The neural network is capable of describing nuclear deformation and is used to track the shape evolution along the 20-42 Mg isotopic chain, suggesting a shape coexistence that is more pronounced toward the very neutron-rich isotopes. We provide first descriptions of the structure and deformation of 24 Si and 40 Mg of interest to x-ray burst nucleosynthesis, and even of the extremely heavy nuclei such as 166,168 Er and 236 U, that build on first-principles considerations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Improvement and performance evaluation of the perturbation source method for an exact Monte Carlo perturbation calculation in fixed source problems

This paper presents improvement and performance evaluation of the “perturbation source method”, which is one of the Monte Carlo perturbation techniques. The formerly proposed perturbation source method was first-order accurate, although it is known that the method can be easily extended to an exact perturbation method. A transport equation for calculating an exact flux difference caused by a perturbation is solved. A perturbation particle representing a flux difference is explicitly transported in the perturbed system, instead of in the unperturbed system. The source term of the transport equation is defined by the unperturbed flux and the cross section (or optical parameter) changes. The unperturbed flux is provided by an “on-the-fly” technique during the course of the ordinary fixed source calculation for the unperturbed system. A set of perturbation particle is started at the collision point in the perturbed region and tracked until death. For a perturbation in a smaller portion of the whole domain, the efficiency of the perturbation source method can be improved by using a virtual scattering coefficient or cross section in the perturbed region, forcing collisions. Performance is evaluated by comparing the proposed method to other Monte Carlo perturbation methods. Numerical tests performed for a particle transport in a two-dimensional geometry reveal that the perturbation source method is less effective than the correlated sampling method for a perturbation in a larger portion of the whole domain. However, for a perturbation in a smaller portion, the perturbation source method outperforms the correlated sampling method. The efficiency depends strongly on the adjustment of the new virtual scattering coefficient or cross section. - Highlights: • A Monte Carlo perturbation method known as “perturbation source method” is examined. • The method outperforms other perturbation methods when the perturbed region is small. • The efficiency depends on virtual scatterings added by a user-specified parameter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

A simple amplitude decision based symbol timing synchronization method for real-time IMDD-OOFDM systems

A simple amplitude decision based symbol timing synchronization method for real-time IMDD-OOFDM transmission systems is proposed and experimentally evaluated by using directly modulated DFB laser in 25 km SSMF. The experimental results show that the hardware resource consumption of the proposed synchronization technique is only 6% of the total system which can effectively release the computation complexity without sacrificing the synchronization accuracy. Less than 2 samples offset error of synchronization accuracy can be achieved at received optical power as low as − 20 dBm without employing correlation and multiplication operations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2005

Simplified Solar Modulation Model of Inner Trapped Belt Proton Flux As a Function of Atmospheric Density

No simple algorithm seems to exist for calculating proton fluxes and lifetimes in the Earth's inner, trapped radiation belt throughout the solar cycle. Most models of the inner trapped belt in use depend upon AP8 which only describes the radiation environment at solar maximum and solar minimum in Cycle 20. One exception is NOAAPRO which incorporates flight data from the TIROS/NOAA polar orbiting spacecraft. The present study discloses yet another, simple formulation for approximating proton fluxes at any time in a given solar cycle, in particular between solar maximum and solar minimum. It is derived from AP8 using a regression algorithm technique from nuclear physics. From flux and its time integral fluence, one can then approximate dose rate and its time integral dose. It has already been published in this journal that the absorbed dose rate, D, in the trapped belts exhibits a power law relationship, D = A(rho)(sup -n), where A is a constant, rho is the atmospheric density, and the index n is weakly dependent upon shielding. However, that method does not work for flux and fluence. Instead, we extend this idea by showing that the power law approximation for flux J is actually bivariant in energy E as well as density rho. The resulting relation is J(E,rho)approx.(sum of)A(E(sup n))rho(sup -n), with A itself a power law in E. This provides another method for calculating approximate proton flux and lifetime at any time in the solar cycle. These in turn can be used to predict the associated dose and dose rate.

Wilson, Thomas L.↗
DOE OSTI2019

Synchrophasor Calculation Algorithm Based on Robust State Estimation

This paper proposes a novel robust state estimation based method for synchrophasor calculation. The proposed method upgrades traditional weighted least square based state estimation to a robust state estimation that uses iteratively re-weighted least square. As a result, it can better filter out measurement noise and reject bad data from synchrophasors. Numerical experiments are tested to compare the proposed method with existing IEEE C37.118 standard. Extensive results have demonstrated the great accuracy and dependability of proposed method when processing synchrophasor with measurement noises or bad data.

Li, Yunting↗
NASA NTRS1993

Preconditioned conjugate-gradient methods for low-speed flow calculations

An investigation is conducted into the viability of using a generalized Conjugate Gradient-like method as an iterative solver to obtain steady-state solutions of very low-speed fluid flow problems. Low-speed flow at Mach 0.1 over a backward-facing step is chosen as a representative test problem. The unsteady form of the two dimensional, compressible Navier-Stokes equations is integrated in time using discrete time-steps. The Navier-Stokes equations are cast in an implicit, upwind finite-volume, flux split formulation. The new iterative solver is used to solve a linear system of equations at each step of the time-integration. Preconditioning techniques are used with the new solver to enhance the stability and convergence rate of the solver and are found to be critical to the overall success of the solver. A study of various preconditioners reveals that a preconditioner based on the Lower-Upper Successive Symmetric Over-Relaxation iterative scheme is more efficient than a preconditioner based on Incomplete L-U factorizations of the iteration matrix. The performance of the new preconditioned solver is compared with a conventional Line Gauss-Seidel Relaxation (LGSR) solver. Overall speed-up factors of 28 (in terms of global time-steps required to converge to a steady-state solution) and 20 (in terms of total CPU time on one processor of a CRAY-YMP) are found in favor of the new preconditioned solver, when compared with the LGSR solver.

Ajmani, Kumud↗
DOE OSTI2017

Application of a New Method to Study the Spin Equilibrium of Aql X–1: The Possibility of Gravitational Radiation

Accretion via disks can make neutron stars in low-mass X-ray binaries (LMXBs) fast spinning, and some of these stars are detected as millisecond pulsars. Here we report a practical way to find out if a neutron star in a transient LMXB has reached the spin equilibrium by disk–magnetosphere interaction alone, and if not, to estimate this spin equilibrium frequency. These can be done using specific measurable source luminosities, such as the luminosity corresponding to the transition between the accretion and propeller phases, and the known stellar spin rate. Such a finding can be useful to test if the spin distribution of millisecond pulsars, as well as an observed upper cutoff of their spin rates, can be explained using disk–magnetosphere interaction alone, or additional spin-down mechanisms, such as gravitational radiation, are required. Applying our method, we find that the neutron star in the transient LMXB Aql X–1 has not yet reached the spin equilibrium by disk–magnetosphere interaction alone. We also perform numerical computations, with and without gravitational radiation, to study the spin evolution of Aql X–1 through a series of outbursts and to constrain its properties. While we find that the gravitational wave emission from Aql X–1 cannot be established with certainty, our numerical results show that the gravitational radiation from Aql X–1 is possible, with a 1.6×10{sup 37} g cm{sup 2} upper limit of the neutron star misaligned mass quadrupole moment.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2009

Optimization of Layer Densities for Spacecraft Multilayered Insulation Systems

Numerous tests of various multilayer insulation systems have indicated that there are optimal densities for these systems. However, the only method of calculating this optimal density was by a complex physics based algorithm developed by McIntosh. In the 1970's much data were collected on the performance of these insulation systems with many different variables analyzed. All formulas generated included number of layers and layer density as geometric variables in solving for the heat flux, none of them was in a differentiable form for a single geometric variable. It was recently discovered that by converting the equations from heat flux to thermal conductivity using Fourier's Law, the equations became functions of layer density, temperatures, and material properties only. The thickness and number of layers of the blanket were merged into a layer density. These equations were then differentiated with respect to layer density. By setting the first derivative equal to zero, and solving for the layer density, the critical layer density was determined. Taking a second derivative showed that the critical layer density is a minimum in the function and thus the optimum density for minimal heat leak, this is confirmed by plotting the original function. This method was checked and validated using test data from the Multipurpose Hydrogen Testbed which was designed using McIntosh's algorithm.

Johnson, W. L.↗
DOE OSTI2022

Linear source method of characteristics in HELIOS2

The Studsvik Scandpower code HELIOS2 is a fast lattice transport code that has gained wide use for reactor fuel cycle analysis in commercial, regulatory, and research environments. It contains two transport solvers - Collision Probabilities (CP) and Method of Characteristics (MoC) - with a general geometry ability and generalized depletion for a variety of fuel types, experimental facilities, and isotope production applications. The HELIOS2 lattice code has been extended with the development of a linear source MoC option. The linear source equations are derived within the scope of the HELIOS2 general geometry and non-cyclic ray tracing. The implementation was tested for fine and coarse spatial mesh models of the 2D C5G7 MOX computational benchmark, which provides a pure and extreme test of a transport solver. The linear source yields at least comparable accuracy with reduced computational resource requirements relative to the flat-source approximation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2012

Wavefront Sensing Analysis of Grazing Incidence Optical Systems

Wavefront sensing is a process by which optical system errors are deduced from the aberrations in the image of an ideal source. The method has been used successfully in near-normal incidence, but not for grazing incidence systems. This innovation highlights the ability to examine out-of-focus images from grazing incidence telescopes (typically operating in the x-ray wavelengths, but integrated using optical wavelengths) and determine the lower-order deformations. This is important because as a metrology tool, this method would allow the integration of high angular resolution optics without the use of normal incidence interferometry, which requires direct access to the front surface of each mirror. Measuring the surface figure of mirror segments in a highly nested x-ray telescope mirror assembly is difficult due to the tight packing of elements and blockage of all but the innermost elements to normal incidence light. While this can be done on an individual basis in a metrology mount, once the element is installed and permanently bonded into the assembly, it is impossible to verify the figure of each element and ensure that the necessary imaging quality will be maintained. By examining on-axis images of an ideal point source, one can gauge the low-order figure errors of individual elements, even when integrated into an assembly. This technique is known as wavefront sensing (WFS). By shining collimated light down the optical axis of the telescope and looking at out-of-focus images, the blur due to low-order figure errors of individual elements can be seen, and the figure error necessary to produce that blur can be calculated. The method avoids the problem of requiring normal incidence access to the surface of each mirror segment. Mirror figure errors span a wide range of spatial frequencies, from the lowest-order bending to the highest order micro-roughness. While all of these can be measured in normal incidence, only the lowest-order contributors can be determined through this WFS technique.

Rohrbach, Scott↗
DOE OSTI2024

Evaluating the Chemical Reactivity of DFT-Simulated Liquid Water with Hydrated Electrons via the Dual Descriptor

Modeling the various properties of liquid water, particularly its reactivity, has been a longstanding challenge for simulation methods. Recently, ab initio simulations based on density functional theory (DFT) have come to the fore as tenable methods for calculating the properties and reactivity of water, with varying degrees of success for different exchange-correlation functionals. In particular, hybrid-GGA and meta-GGA functionals have been shown to reproduce many of the structural, dynamical, and energetic properties of water to a high degree of accuracy relative to their computational cost. Here, we show that the dual descriptor (DD) measure of nucleophilicity and electrophilicity, which is sometimes used to elucidate organic chemistry reaction mechanisms, can also be used to characterize the reactivity of DFTsimulated liquid water. The DD is especially apt for understanding the reactivity of excess electrons with water as its calculation explicitly involves adding and removing an excess electron from a reference system. We use the DD to explore the reactivity of water simulated using three different DFT functionals: the LDA functional (LDA), a hybrid-GGA functional (PBE0), and a hybrid meta- GGA functional (SCAN0). Using the DD, we show that the SCAN0 functional with the standard 25% Hartree–Fock exchange produces simulated liquid water with many regions that are far more reactive than either PBE0 or LDA. To understand the implications of these highly reactive regions, we then add a strong nucleophile in the form of an excess electron and find that although PBE0 and LDA predict stable hydrated electrons, the excess electron reacts nearly instantaneously with SCAN0 water via proton abstraction to form a hydrogen atom and hydroxide ion. We show that the DD provides the ability to not only predict whether or not liquid water will react with a hydrated electron but also which particular waters will be involved solely from analyzing pure water configurations generated with each functional. We rationalize this result in terms of the known trap-seeking behavior of injected hydrated electrons, which are able to find the most electronegative region in bulk water. These results highlight the utility of the dual descriptor as a fast and interpretable method for investigating condensed-phase reactivity with excess electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A multi-method approach for groundwater resource assessment in coastal carbonate (karst) aquifers: the case study of Sierra Almijara (southern Spain)

Understanding the transference of water resources within hydrogeological systems, particularly in coastal aquifers, in which groundwater discharge may occur through multiple pathways (through springs, into rivers and streams, towards the sea, etc.), is crucial for sustainable groundwater use. This research aims to demonstrate the usefulness of the application of conventional recharge assessment methods coupled to isotopic techniques for accurately quantifying the hydrogeological balance and submarine groundwater discharge (SGD) from coastal carbonate aquifers. Sierra Almijara (Southern Spain), a carbonate aquifer formed of Triassic marbles, is considered as representative of Mediterranean coastal karst formations. The use of a multi-method approach has permitted the computation of a wide range of groundwater infiltration rates (17–60%) by means of direct application of hydrometeorological methods (Thornthwaite and Kessler) and spatially distributed information (modified APLIS method). A spatially weighted recharge rate of 42% results from the most coherent information on physiographic and hydrogeological characteristics of the studied system. Natural aquifer discharge and groundwater abstraction have been volumetrically quantified, based on flow and water-level data, while the relevance of SGD was estimated from the spatial analysis of salinity, {sup 222}Rn and the short-lived radium isotope {sup 224}Ra in coastal seawater. The total mean aquifer discharge (44.9–45.9 hm{sup 3} year{sup −1}) is in agreement with the average recharged groundwater (44.7 hm{sup 3} year{sup −1}), given that the system is volumetrically equilibrated during the study period. Besides the groundwater resources assessment, the methodological aspects of this research may be interesting for groundwater management and protection strategies in coastal areas, particularly karst environments.

58 GEOSCIENCES↗