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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Flux Quantization and Aharonov-Bohm Effect in Superconducting Rings

Superconductivity is a macroscopic coherent state exhibiting various quantum phenomena such as magnetic flux quantization. When a superconducting ring is placed in a magnetic field, a current flows to expel the field from the ring and to ensure that the enclosed flux is an integer multiple of h/(2|e|). Although the quantization of magnetic flux in ring structures is extensively studied in literature, the applied magnetic field is typically assumed to be homogeneous, implicitly implying an interplay between field expulsion and flux quantization. Here, we propose to decouple these two effects by employing an Aharonov-Bohm-like structure where the superconducting ring is threaded by a magnetic core (to which the applied field is confined). Although the magnetic field vanishes inside the ring, the formation of vortices takes place, corresponding to a change in the flux state of the ring. The time evolution of the density of superconducting electrons is studied using the time-dependent Ginzburg-Landau equations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Capabilities of multivariate Bayesian inference toward seismic hazard assessment

Multivariate Bayesian analysis can bring significant benefits to seismic hazard analysis: Its multivariate feature enables computing scalar and vector hazard without making any approximations; Correlations between intensity measures are implicitly modeled, permitting direct simulation of ground motion selection tools such as the conditional mean spectrum and the generalized conditioning intensity measure; and Its updating feature enables a seamless integration of new ground motion data into the hazard results. Here, we first develop a multivariate Bayesian ground motion model through the NGA-West2 database. The model functional form considers fault-type, magnitude, and distance dependencies, and also the linear and the rock intensity dependent site response. We use a hybrid Markov Chain Monte Carlo sampling to perform Bayesian inference consisting of Gibbs step and a multilevel Metropolis-Hastings step. We then perform several checks on the model and note that its performance is satisfactory. Finally, we illustrate the merits of this multivariate Bayesian analysis, which include: ground motion model updating with ground motion data recorded in the last four years not part of the NGA-West2 database; computation of scalar and vector seismic hazard using the un-updated and updated ground motion models for Los Angeles, CA; and simulation of the conditional mean spectrum under scalar and vector IM conditioning while accounting for different sources of aleatoric and epistemic uncertainties.

58 GEOSCIENCES↗
DOE OSTI2021

Error estimates of finite difference methods for the Dirac equation in the massless and nonrelativistic regime

We present four frequently used finite difference methods and establish the error bounds for the discretization of the Dirac equation in the massless and nonrelativistic regime, involving a small dimensionless parameter 0 < ε &NestedLessLess; 1 inversely proportional to the speed of light. In the massless and nonrelativistic regime, the solution exhibits rapid motion in space and is highly oscillatory in time. Specifically, the wavelength of the propagating waves in time is at O(ε), while in space, it is at O(1) with the wave speed at O(ε -1 ). We adopt one leap-frog, two semi-implicit, and one conservative Crank-Nicolson finite difference methods to numerically discretize the Dirac equation in one dimension and establish rigorously the error estimates which depend explicitly on the time step τ, mesh size h, and the small parameter ε. The error bounds indicate that, to obtain the “correct” numerical solution in the massless and nonrelativistic regime, i.e., 0 < ε &NestedLessLess; 1, all these finite difference methods share the same ε-scalability as time step τ = O(ε 3/2 ) and mesh size h = O(ε 1/2 ). A large number of numerical results are reported to verify the error estimates.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Characteristics of a Degenerate Neutron Gas in a Magnetic Field with Allowance for the Anomalous Magnetic Moment of the Neutron

General expressions for the dependence of the Fermi energy, pressure, and total energy of a degenerate neutron gas in a magnetic field on the magnitude of the field and the neutron concentration with allowance for the anomalous magnetic moment of the neutron have been obtained in implicit form, and the dependence of these quantities on the field is presented in graphical form for the neutron concentration C = 10{sup 38} cm{sup –3}, which is typical for neutron stars. Analytical estimates of the pressure have been made for the magnitude of the fields possible in neutron stars ~10{sup 17}–10{sup 19} G and this neutron concentration ~10{sup 38} cm{sup –3}, including when the neutron gas is close to its saturated state with preferred orientation of the anomalous magnetic moment of all the neutrons in alignment with the field. It is found that even such fields ~10{sup 17} G have practically no effect on the pressure in comparison with the case when the field is absent, an effect being possible only for В ~ 10{sup 18}–10{sup 19} G. The analytical dependence on the neutron concentration of the corresponding field B{sub S} at which the neutron gas transitions to the saturated state has been found in explicit form. It is established that for B > B{sub S} the indicated characteristics of the neutron gas, and likewise its state, no longer change.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A Feature-Based Stochastic Permeability of Shale: Part 1—Validation and Two-Phase Permeability in a Utica Shale Sample

Estimate of permeability plays a crucial role in flow-based studies of fractured tight-rocks. It is well known that most of the flow through tight-rocks (e.g., shales) is controlled by permeable features (e.g., fractures, laminations, etc.), and there is negligible flow through the matrix. However, current approaches in the literature to model permeability of tight-rocks do not account for such features present within the rock ranging from micro-scale to field-scale. Current permeability modeling approach assumes a single continuum without considering the presence of permeable features within the matrix (e.g., micro-fractures) or outside the matrix (e.g., natural fractures). Although the laboratory-measured permeability implicitly captures discrete features present in that sample (e.g., fractures, laminations, micro-fractures), most of the permeability models proposed for shale do not account for these features. Fracture permeability in the literature is typically modeled using an ideal slit assumption; however, this highly overestimates its permeability because fractures in real medium are non-ideal in terms of their porosity and tortuosity, which affect their permeability. Additionally, the transition zone between fracture and matrix also affects the permeability of fracture. Here in this study, part of a two-part series, a new method to predict permeability of fractured shale by discretizing the medium into matrix (inorganic and organic) and fractures is presented. New analytical expressions of permeability are derived to account for non-ideal nature of porous medium and two-phase flow in fractures. Rock feature in each cell of the grid is identified as one of the three elements (organic matter, inorganic matter, or fracture), and permeability of that cell is estimated using a suitable analytical expression. This method allows estimating permeability at any scale of interest and more robustly than by a pure analytical approach. The proposed method is validated against local and global-scale measurements on three fractured samples from laboratory. Finally, the method is used to predict two-phase flow permeability of supercritical CO 2 displacing water within a fracture in a Utica shale sample. The proposed two-phase flow permeability equations can be used as a quick analytical tool to predict relative permeability estimates of two-phase flow in fractured shale samples. In Part 2, the proposed method is used to estimate field-scale permeability through an optimization process that uses field-scale production and other readily available information.

58 GEOSCIENCES↗
DOE OSTI2016

Fully coupled hydro-mechanical numerical manifold modeling of porous rock with dominant fractures

Coupled hydro-mechanical (HM) processes are significant in geological engineering such as oil and gas extraction, geothermal energy, nuclear waste disposal and for the safety assessment of dam foundations and rock slopes, where the geological media usually consist of fractured rock masses. We developed a model for the analysis of coupled hydro-mechanical processes in porous rock containing dominant fractures, by using the numerical manifold method (NMM). In the current model, the fractures are regarded as different material domains from surrounding rock, i.e., finite-thickness fracture zones as porous media. Compared with the rock matrix, these fractured porous media are characterized with nonlinear behavior of hydraulic and mechanical properties, involving not only direct (poroelastic) coupling but also indirect (property change) coupling. By combining the potential energy associated with mechanical responses, fluid flow and solid–fluid interactions, a new formulation for direct HM coupling in porous media is established. For indirect coupling associated with fracture opening/closure, we developed a new approach implicitly considering the nonlinear properties by directly assembling the corresponding strain energy. Compared with traditional methods with approximation of the nonlinear constitutive equations, this new formulation achieves a more accurate representation of the nonlinear behavior. We implemented the new model for coupled HM analysis in NMM, which has fixed mathematical grid and accurate integration, and developed a new computer code. We tested the code for direct coupling on two classical poroelastic problems with coarse mesh and compared the results with the analytical solutions, achieving excellent agreement, respectively. We tested for indirect coupling on models with a single dominant fracture and obtained reasonable results. The current poroelastic NNM model with a continuous finite-thickness fracture zone will be further developed considering thin fractures in a discontinuous approach for a comprehensive model for HM analysis in fractured porous rock masses.

58 GEOSCIENCES↗
DOE OSTI2018

Similarity Criteria for the Study of Removal of Spherical Non-metallic Inclusions in Physical Models of Continuous Casting Tundishes: A More Fundamental Approach

Physical modeling is widely used for studying steelmaking processes. The accuracy of this technique depends on the use of appropriate similarity criteria during experimental design. The present work deduced rigorously the similarity criteria for the study of spherical non-metallic inclusions in isothermal physical models of tundishes. Initially, macroscopic quantities were used to simplify the multiphase problem. Then, the similarity criteria were obtained from the dimensionless form of the exact equation of motion for an inclusion in Stokes regime. The validity range of these criteria was discussed and they were compared with common literature practice. Some practical considerations were also presented. This work clarifies various implicit assumptions usually adopted in literature. Additionally, a restrictive criterion to choose the density of the inclusion simulating particles was obtained, which can be satisfied, for example, by hollow glass particles in water models. This criterion is necessary to adequately describe the inclusion motion in regions where fluid elements suffer strong acceleration (e.g., inside nozzles, near flow controllers or in the entering fluid jet). Moreover, it was established an upper limit for the concentration of particles injected in the inlet nozzle of physical models, which do not simulate the phenomenon of inclusion aggregation.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Numerical Simulation of Metal Melt Flow in a One-Strand Tundish Regarding Active Filtration and Reactive Cleaning

In the paper, two different cleaning strategies for nonmetallic inclusions in steel melts, active filtration and reactive cleaning, are examined in a prototype tundish configuration. In active filtration, nonmetallic inclusions are deposited at the filter surfaces. In reactive cleaning, nonmetallic inclusions stick to the filter surfaces, too. In addition, they are floated by the action of carbon monoxide bubbles, which are generated by reaction between carbon and oxygen in the steel melt. In order to compare the performance of both strategies, numerical simulations of the two-phase flows of steel melt and dispersed nonmetallic inclusions are performed. Turbulence is resolved with implicit large eddy simulation. If necessary, species transports of dissolved carbon in the melt and reaction with oxygen are employed. Cleaning efficiencies are deduced from the simulations which demonstrate that reactive cleaning is much more efficient than active filtration.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Quantum Calculations on Plant Cell Wall Component Interactions

In this paper, density functional theory calculations were performed to assess the relative interaction energies of plant cell wall components: cellulose, xylan, lignin and pectin. Monomeric and tetramer linear molecules were allowed to interact in four different configurations for each pair of compounds. The M0 5 -2X exchange-correlation functional which implicitly accounts for short- and mid-range dispersion was compared against MP2 and RI-MP2 to assess the reliability of the former for modeling van der Waals forces between these PCW components. Solvation effects were examined by modeling the interactions in the gas phase, in explicit H 2 O, and in polarized continuum models (PCM) of solvation. PCMs were used to represent water, methanol, and chloroform. The results predict the relative ranges of each type of interaction and when specific configurations will be strongly preferred. Finally, structures and energies are useful as a basis for testing classical force fields and as guidance for coarse-grained models of PCWs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A Siamese CNN + KNN-Based Classification Framework for Non-intrusive Load Monitoring

Through the development of smart grids, programs such as demand side response, have been presented as auxiliary services to the real-time operation of distributed networks. In order to provide consumers information on their energy consumption, so that a modulation in consumption is possible, non-intrusive load monitoring has been introduced as an solution to this pattern recognition problem. Non-intrusive load monitoring enables the modeling of electrical loads connected to the low-voltage system, considering only a single measurement point. Presented state-of-the-art solutions though, consider availability of data as well as representation of all possible classes of the environment. This is of course a most conservative hypothesis, since in real-life applications availability of such data is much difficult, as well as the dynamic behavior of models is implicitly evolving in time. Here, a framework that uses neural Siamese networks with k-nearest neighbor clustering is presented toward non-intrusive load monitoring. Online learning feature is implemented, which relaxes the hypothesis of data requirements as well addresses the evolving nature of load profile. k-nearest clustering allows nonlinear characteristic space modelling. Test results using synthetics and real-life data show that the solution, besides obtaining a good generalizability in the classification, also obtained results with an accuracy of 95.77%.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

On differential singular perturbation problems: a simple variational approach

An alternative approach for the analysis and the numerical approximation of singular perturbation problems, using a variational framework, is presented. It is based on the natural idea of minimizing the residual of the differential equation measured in the L{sup 2} norm. By this strategy, the approximation is based in the solution of a set of linear problems giving the descent step directions of the problem. This is the main advantage of our approach, since we can use stable and convergent methods for linear problems (without assuming the knowledge of good initial guesses used in the approximation of the associated non-linear systems necessary in Newton-type methods). Remember that for this type of problems, we should use implicit methods. We prove that our procedure can never get stuck in local minima, and the error decreases until getting to the original solution independent of the perturbation parameter. Finally, we include some numerical examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Accelerated modulus-based matrix splitting iteration method for a class of nonlinear complementarity problems

In this paper, we reformulate a class of nonlinear complementarity problems as the implicit fixed-point equations. We demonstrate accelerated modulus-based matrix splitting iteration method. We show their convergence by assuming that the system matrix is positive definite or the splitting of the system matrix are H{sub +}-compatible splitting and discuss the choice of the optimal parameter. Furthermore, we give two-step accelerated modulus-based matrix splitting iteration method, which may achieve higher computing efficiency. Numerical experiments are presented to show the effectiveness of the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The Peridigm Meshfree Peridynamics Code

Abstract Peridigm is a meshfree peridynamics code written in C++ for use on large-scale parallel computers. It was originally developed at Sandia National Laboratories and is currently managed as an open-source, community driven software project. Its primary features include bond-based, state-based, and non-ordinary state-based constitutive models, bond failure laws, contact, and support for explicit and implicit time integration. To date, Peridigm has been used primarily by methods developers focused on solid mechanics and material failure. Peridigm utilizes foundational software components from Sandia’s Trilinos project and was designed for extensibility. This paper provides an overview of the solution methods implemented in Peridigm , a discussion of its software infrastructure, and demonstrates the use of Peridigm for the solution of several example problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Quantum-assisted associative adversarial network: applying quantum annealing in deep learning

Abstract Generative models have the capacity to model and generate new examples from a dataset and have an increasingly diverse set of applications driven by commercial and academic interest. In this work, we present an algorithm for learning a latent variable generative model via generative adversarial learning where the canonical uniform noise input is replaced by samples from a graphical model. This graphical model is learned by a Boltzmann machine which learns low-dimensional feature representation of data extracted by the discriminator. A quantum processor can be used to sample from the model to train the Boltzmann machine. This novel hybrid quantum-classical algorithm joins a growing family of algorithms that use a quantum processor sampling subroutine in deep learning, and provides a scalable framework to test the advantages of quantum-assisted learning. For the latent space model, fully connected, symmetric bipartite and Chimera graph topologies are compared on a reduced stochastically binarized MNIST dataset, for both classical and quantum sampling methods. The quantum-assisted associative adversarial network successfully learns a generative model of the MNIST dataset for all topologies. Evaluated using the Fréchet inception distance and inception score, the quantum and classical versions of the algorithm are found to have equivalent performance for learning an implicit generative model of the MNIST dataset. Classical sampling is used to demonstrate the algorithm on the LSUN bedrooms dataset, indicating scalability to larger and color datasets. Though the quantum processor used here is a quantum annealer, the algorithm is general enough such that any quantum processor, such as gate model quantum computers, may be substituted as a sampler.

Wilson, Max (ORCID:0000000207983391)↗
DOE OSTI2025

GPU-accelerated kinetic Hall thruster simulations in WarpX

Abstract Two-dimensional (axial-azimuthal) simulations of a Hall thruster are performed using the open-source particle-in-cell code WarpX. The simulation conditions are chosen to match those of the axial-azimuthal benchmark first reported by Charoy et al. in 2019. A range of numerical and solver parameters is investigated in order to find those which yield the best performance. It is found that WarpX completes the benchmark case in 3.8 days on an Nvidia V100 GPU, and in as low as 1.5 days on a more recent Nvidia H100 GPU. Of the numerical parameters investigated, it is determined that the field-solve tolerance and particle resampling thresholds have the largest effect on the simulation wall time and that particle resampling may artificially widen electron velocity distribution functions, leading to unphysical heating. A semi-implicit scheme for the electrostatic field solve is tested and is found to produce results consistent to within 10% of the benchmark in less than twelve hours. The scaling properties of the electrostatic solver to multiple GPUs are also assessed on a uniform plasma test problem. The results of this work are discussed in the context of advancements in GPU hardware and the suitability of kinetic Hall thruster simulations for engineering applications.

Marks, Thomas A.↗
DOE OSTI2025

2032 and 2036 risk enhancement from NEOs in the Taurid stream: Is there a significant coherent component to impact risk?

Impact risk is normally quantified by summing the product of the probability of an event and some measure of its consequences over the set of all possible events. The probability factor is considered to be more objective and is based on the size frequency distribution of Near Earth objects (NEOs) and an implicit assumption of randomness, which can be described as “stochastic risk”. Impact frequency does change with time, however, and there have been episodes in the deep geological past when the flux has been much higher. The hypothesis of “coherent catastrophism” suggests large variations on shorter timescales. It postulates the existence of a “Taurid resonant swarm” (TRS) of debris associated with Comet Encke that is stabilized by Jupiter and in a 7:2 resonance with it. The hypothetical cluster orbits in the broad Taurid stream, which crosses Earth's orbit twice a year at its nodes. Whereas the most extreme and fanciful versions of coherent catastrophism in recent geologic history have been comprehensively refuted, the possibility of a significant component of coherent (time-dependent) risk, associated with non-random correlated events, remains. This paper incorporates recently published data from observational campaigns associated with the Taurid stream. There is no evidence for objects in the Taurid stream that are above the global catastrophe threshold, but the possibility of a few large objects and a significant population of objects the size of the Chelyabinsk or Tunguska bodies has not been eliminated. Eyewitness accounts and comparison of airburst models to ground truth suggest that the Tunguska object was a Beta Taurid. The Tunguska event is probably an outlier when compared to the size frequency distributions under stochastic assumptions, but if there is a significant coherent component it may be representative of events that take place far more frequently, and risk assessments may have underestimated the contribution from airbursts. If so, the Earth will experience increased risk from objects this size, peaking in November 2032 and June 2036. We recommend targeted survey campaigns during these hypothetical TRS node crossings to quantify the population, search for potentially hazardous objects, and identify imminent impactors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Relative effects of enthalpy and entropy on the phase stability of equiatomic high-entropy alloys

High configurational entropies have been hypothesized to stabilize solid solutions in equiatomic, multi-element alloys which have attracted much attention recently as high-entropy alloys with potentially interesting properties. To evaluate the usefulness of configurational entropy as a predictor of single-phase (solid solution) stability, we prepared five new equiatomic, quinary alloys by replacing individual elements one at a time in a CoCrFeMnNi alloy that was previously shown to be single-phase [1]. An implicit assumption here is that, if any one element is replaced by another, while keeping the total number of elements constant, the configurational entropy of the alloy is unchanged; therefore, the new alloys should also be single-phase. Additionally, the substitute elements that we chose, Ti for Co, Mo or V for Cr, V for Fe, and Cu for Ni, had the same room-temperature crystal structure and comparable size/electronegativity as the elements being replaced to maximize solid solubility consistent with the Hume-Rothery rules. For comparison, the base CoCrFeMnNi alloy was also prepared. After three-day anneals at elevated temperatures, multiple phases were observed in all but the base CoCrFeMnNi alloy suggesting that, by itself, configurational entropy is generally not able to override competing driving forces that also govern phase stability. Thermodynamic analyses were carried out for each of the constituent binaries in the investigated alloys (Co-Cr, Fe-Ni, Mo-Mn, etc,). Experimental results combined with the thermodynamic analyses suggest that, in general, enthalpy and non-configurational entropy have bigger influences on phase stability in equiatomic, multi-component alloys. Only when the alloy microstructure is a single-phase, approximately ideal solid solution does the contribution of configurational entropy to the total Gibbs free energy become dominant. Thus, high configurational entropy provides a way to rationalize, after the fact, why a solid solution forms (if it forms) but it is not a useful a priori predictor of which of the so-called high-entropy alloys will form single-phase solid solutions.

High-entropy alloys↗