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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 1,783 records · Page 99
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Generalized optical soliton solutions to the (3+1)-dimensional resonant nonlinear Schrödinger equation with Kerr and parabolic law nonlinearities

The resonant nonlinear Schrödinger equation in three dimensions featuring both the Kerr and parabolic law nonlinearities has been considered in this paper due to its vital role in the propagation of solitons in optical fibers. Optical soliton solutions to this important model consisting of dark, singular and combo solitons alongside various periodic solutions that are new and more general to the lately devised solutions have been presented. We also reported the constraint conditions that guarantee the survival of these solitons and depicted certain results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Representing heterogeneity in structural relationships among multiple choice variables using a latent segmentation approach

Travel model systems often adopt a single decision structure that links several activity-travel choices together. The single decision structure is then used to predict activity-travel choices, with those downstream in the decision-making chain influenced by those upstream in the sequence. The adoption of a singular sequential causal structure to depict relationships among activity-travel choices in travel demand model systems ignores the possibility that some choices are made jointly as a bundle as well as the possible presence of structural heterogeneity in the population with respect to decision-making processes. As different segments in the population may adopt and follow different causal decision-making mechanisms when making selected choices jointly, it would be of value to develop simultaneous equations model systems relating multiple endogenous choice variables that are able to identify population subgroups following alternative causal decision structures. Because the segments are not known a priori, they are considered latent and determined endogenously within a joint modeling framework proposed in this paper. The methodology is applied to a national mobility survey data set to identify population segments that follow different causal structures relating residential location choice, vehicle ownership, and car-share and mobility service usage. It is found that the model revealing three distinct latent segments best describes the data, confirming the efficacy of the modeling approach and the existence of structural heterogeneity in decision-making in the population. Future versions of activity-travel model systems should strive to incorporate such structural heterogeneity to better reflect varying decision processes across population subgroups.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2015

Generation of high-value products by photosynthetic microorganisms: From sunlight to biofuels

In this paper, oxygenic photosynthesis is the singular important chemical process providing the energy source for almost all life on earth. It harnesses and stores sun energy in forms of high-energy intermediates, such as low potential electrons and ATP, used as energy sources primarily for the fixation of carbon from atmosphere into carbohydrates. The latter compounds supply carbon and energy to multiple anabolic processes associated with cell growth and division.

09 BIOMASS FUELS↗
DOE OSTI2019

Simulation of Line Profiles of the Krypton Spectra Emitted by the Plasma of Current Sheets

Line profiles of the krypton spectra emitted by the plasma of current sheets are simulated. Current sheets are formed under the impact of magnetic fields with singular X-lines. The spectral line profiles are calculated by the method of the energy matrix diagonalization of an atom in an electric field. The dependence of the behavior of the line profiles on the parameters of an alternating electric field arising inside the plasma of current sheets and the dependence of these profiles on the plasma temperature are investigated. The criteria which allow one to reveal spectral lines serving as the indicators of the appearance of anomalous electric fields inside current sheets are suggested.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Inversion of Meteor Rayleigh Waves on Earth and Modeling of Air Coupled Rayleigh Waves on Mars

Meteor impacts and/or meteor events generate body and surface seismic waves on the surface of a planet. When meteoroids burst in the atmosphere, they generate shock waves that subsequently convert into acoustic waves in the atmosphere and seismic waves in the ground. This effect can be modeled as the amplitude of Rayleigh and other Spheroidal modes excitation, due to atmospheric/ground coupling effects. First, an inversion of the seismic source of Chelyabinsk superbolide is performed. We develop an approach in order to model a line source in the atmosphere, corresponding to the consecutive generation of shock waves by the interaction with the atmosphere. The model is based on the known trajectory. We calculate the synthetic seismograms of Rayleigh waves associated with the event by the summation of normal modes of a model of the solid part and the atmosphere of the planet. Through an inversion technique based on singular value decomposition, we perform a full Rayleigh wave inversion and we provide solutions for the moment magnitude. SEIS will likely detect seismic waves generated by impacts and the later might be further located by remote sensing differential processing. In the case of Mars, we use the same method to obtain waveforms associated with impacts on the planetary surface or in low altitudes in the Martian atmosphere. We show that the contribution of the fundamental spheroidal solid mode is dominating the waveforms, compared to that of the first two overtones. We perform an amplitude comparison and we show that small impactors (diameter of 0.5 to 2 m), can be detected by the SEIS VBB seismometer of InSight mission, even in short epicentral distances, in the higher frequencies of the Rayleigh waves. We perform an analysis based on impact rate estimations and we calculate the number of detectable events of 1 meter diameter meteor impacts to be 6.7 to 13.4 per 1 Martian year for a Q=500 .

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Integrated Approach to Density-Based Spatial Clustering of Applications with Noise and Dynamic Time Warping for Breakout Prediction in Slab Continuous Casting

Mold breakout is a catastrophic accident that has serious impacts on smooth production, slab quality, and caster equipment. Accurate identification and prediction of an impending breakout are always top priorities in continuous casting operations. In view of crucial common features of mold copper plate temperatures during a breakout, such as time lag and space inversion, the concepts of density-based spatial clustering of applications with noise and dynamic time warping are introduced, and an integrated novel method for breakout prediction is developed. Through extracting and fusing the representative singularity and approximation of temperature variation, the typical temporal and spatial temperature characteristics during breakout can be distinguished and predicted accurately. Compared with traditional methods of logical judgment and artificial neural network, the method based on clustering does not need to modify forecast thresholds or parameters artificially, which overcomes the limitation of model dependence on human beings, and demonstrates excellent adaptability and robustness for online abnormality prevention.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Parametric, Data-Driven, Non-Intrusive Reduced-Order Model Framework for Crystal Plasticity Simulations of Voids

The influence of the internal structure at micrometer length scales on the deformation of polycrystalline materials can be effectively captured using crystal plasticity finite element methods (CPFEM). However, the complexity and nonlinearity of the deformation equations CPFEM solves demand significant computational power and resources to achieve accurate predictions, limiting its broader application. To address this challenge, we have identified a reduced-order representation of the complex data in order to establish a computationally efficient reduced-order models (ROM) and drastically reduce the computational expense of CPFEM. Specifically, in this work, we developed a parametric, data-driven, and non-intrusive ROM framework for CPFEM using proper orthogonal decomposition (POD) and sparse variational Gaussian process (SVGP) regression for single-crystal microstructures under tensile loading conditions. The developed protocol enables one to compress field into a latent/low-dimensional space described by principal component analysis (PCA) via the singular value decomposition (SVD) algorithm. As a result, the high-dimensional data are reduced to a significantly smaller amount of dimensions with POD bases and POD coefficients. Furthermore, we deployed an ensemble of SVGPs—extended from the classical Gaussian process (GP) regression for scalability and handling big data—in a massively parallel manner to train and predict latent POD coefficients using known POD bases from a set of previously obtained simulations results. Lastly, using the predicted POD coefficients, we reconstructed the full-field results and showed reasonable agreement compared with the true values obtained from running CPFEM. The developed framework is validated with a set of CPFEM simulations of a single embedded void in single-crystal aluminum alloy. While the framework is broadly applicable, this work specifically focuses on single-crystal microstructures, a single load case (e.g., tensile), and a specific void geometry (spherical).

Anisotropy↗
DOE OSTI2018

Relaxation oscillations in predator–prey model with distributed delay

The predator–prey model with distributed delay is stated in present paper. On the basis of geometric singular perturbation theory, the transition of the solution trajectory is illuminated, and the existence of the relaxation oscillation is proved. It is indicated the characteristic of the relaxation oscillation is dependent on the structure of the slow manifold. Moreover, the approximate expression of the relaxation oscillation and its period are obtained analytically. One case study is given to demonstrate the validity of theoretical results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Geometric and algebraic structures associated with the channel quantization problem

We consider the use of surfaces as topological spaces in order to provide an answer to the quantization problem of a discrete memoryless channel (DMC). The aim is to identify the geometric and algebraic properties of the surface associated with the embedding of such a DMC. The procedure is based on the following steps: knowing the complete bipartite graph associated with a given DMC: (1) to determine the minimum and the maximum genus of the corresponding surfaces in which the given graph is embedded; (2) knowing the genus, to specify the roots as the elements of a Farey sequence of a planar algebraic curve; (3) to determine the solutions of a second-order Fuchsian differential equation as the generators of the corresponding Fuchsian group. We consider the cases of the hypergeometric and Heun equations, with three and four regular singular points, respectively. By means of this procedure, the fundamental region associated with the Fuchsian group is identified and this is the region where the planar algebraic curve is uniformized. A generalization of the quantization problem related to an m-ary input n-ary output symmetric channel viewed as a complete bipartite graph K{sub m,n}, by use of the embedding of this channel in compact surfaces is straightforward.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Generalized Jacobi method for linear bounded operators system

In this paper, we construct a generalization of the Jacobi iterative method adapted to a system of linear bounded operators. This new method is used with product integration method to solve a linear Fredholm integral equation of the second kind with a weakly singular kernel. The convergence analysis is proved. The numerical tests developed show its effectiveness.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

PCG method with Strang’s circulant preconditioner for Hermitian positive definite linear system in Riesz space fractional advection–dispersion equations

In this paper, preconditioned conjugate gradient (PCG) method with Strang’s circulant preconditioner is investigated to solve the Hermitian positive definite linear systems, which is result from the Crank–Nicolson (C-N) finite difference scheme with the weighted and shifted Grünwald difference (WSGD) operators to discretize the Riesz space fractional advection–dispersion equation (RSFADE). We show that the spectrum of the preconditioned matrix is clustered around 1, and the singular values of the preconditioned matrix are uniformly bounded away from zero under a certain condition, respectively; hence the PCG method, when applied to solving the preconditioned system, converges superlinearly. Moreover, the complexity in each iteration of the PCG method is O(Nlog N) via using the fast Fourier transforms, where N is the matrix size. Numerical experiments are included to demonstrate the effectiveness of our approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

A novel low-rank matrix completion approach to estimate missing entries in Euclidean distance matrix

A Euclidean distance matrix (EDM) is a table of distance-square between points on a k-dimensional Euclidean space, with applications in many fields (e.g., engineering, geodesy, economics, genetics, biochemistry, and psychology). A problem that often arises is the absence (or uncertainty) of some EDM elements. In many situations, only a subset of all pairwise distances is available and it is desired to have some procedure to estimate the missing distances. In this paper, we address the problem of missing data in EDM through low-rank matrix completion techniques. We exploit the fact that the rank of a EDM is at most k+2 and does not depend on the number of points, which is, in general, much bigger then k. We use a singular value decomposition approach that considers the rank of the matrix to be completed and computes, in each iteration, a parameter that controls the convergence of the method. After performing a number of computational experiments, we could observe that our proposal was able to recover, with high precision, random EDMs with more than 1000 points and up to 98% of missing data in few minutes. In addition, our method required a smaller number of iterations when compared to other competitive state-of-art technique.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Split representation of adaptively compressed polarizability operator

The polarizability operator plays a central role in density functional perturbation theory and other perturbative treatment of first principle electronic structure theories. The cost of computing the polarizability operator generally scales as O(Ne4) where Ne is the number of electrons in the system. The recently developed adaptively compressed polarizability operator (ACP) formulation [L. Lin, Z. Xu and L. Ying, Multiscale Model. Simul. 2017] reduces such complexity to O(Ne 3 ) in the context of phonon calculations with a large basis set for the first time, and demonstrates its effectiveness for model problems. In this paper, we improve the performance of the ACP formulation by splitting the polarizability into a near singular component that is statically compressed, and a smooth component that is adaptively compressed. The new split representation maintains the O(Ne 3 ) complexity, and accelerates nearly all components of the ACP formulation, including Chebyshev interpolation of energy levels, iterative solution of Sternheimer equations, and convergence of the Dyson equations. For simulation of real materials, we discuss how to incorporate nonlocal pseudopotentials and finite temperature effects. In this work, we demonstrate the effectiveness of our method using one-dimensional model problem in insulating and metallic regimes, as well as its accuracy for real molecules and solids.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Sensitivity Analysis for Solutions to Heterogeneous Nonlocal Systems. Theoretical and Numerical Studies

The paper presents a collection of results on continuous dependence for solutions to nonlocal problems under perturbations of data and system parameters. The integral operators appearing in the systems capture interactions via heterogeneous kernels that exhibit different types of weak singularities, space dependence, even regions of zero-interaction. Here, the stability results showcase explicit bounds involving the measure of the domain and of the interaction collar size, nonlocal Poincaré constant, and other parameters. In the nonlinear setting, the bounds quantify in different L p norms the sensitivity of solutions under different nonlinearity profiles. The results are validated by numerical simulations showcasing discontinuous solutions, varying horizons of interactions, and symmetric and heterogeneous kernels.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Synchrotron X-ray microtomography and multifractal analysis for the characterization of pore structure and distribution in softwood pellet biochar

Biochar pores in the micrometer range (1–100 µm) derive from cellular structures of the plant biomass subjected to pyrolysis or can be the result of mechanical processing, such as pelleting. In this study, synchrotron X-ray microtomography was used to investigate the internal pore structure of softwood pellet biochar produced by slow pyrolysis at 550 and 700 °C. The microtomographic data sets consisted of 2025 images of 2560 × 2560 voxels with a voxel side length of 0.87 µm. The three-dimensional reconstructions revealed that pelleting and pyrolysis significantly altered the pore structures of the wood feedstock, creating a network of connected pores between fragments that resembled the wood morphology. While higher pyrolysis temperature increased the specific surface area (as determined by BET nitrogen adsorption), it did not affect the total observed porosity. Multifractal analysis was applied to assess the characteristics of the frequency distribution of pores along each of the three dimensions of reconstructed images of five softwood pellet biochar samples. The resulting singularity and Rényi spectra (generalized dimensions) indicated that the distribution of porosity had monofractal scaling behavior, was homogeneous within the analyzed volumes and consistent between replicate samples. Moreover, the pore distributions were isotropic (direction-independent), which is in strong contrast with the anisotropic pore structure of wood. As pores at the scale analyzed in this study are relevant, for example, for the supply of plant accessible water and habitable space for microorganisms, our findings combined with the ability to reproduce biochar with such pore distribution offer substantial advantages in various biochar applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Chapter 32 - Power Grid Resilience

The new energy paradigm is altering the current power grid trend from synchronous generator reliant system toward power-electronics-based distributed energy resources (DERs). The resilient operation of modern power grid is highly dependent upon cyber and physical reliable operation of DERs. Power grid resilience broadly refers to the ability of the grid to be robust to eventualities and singularities that may disrupt the continuity of reliable power flow. This could involve resilience related to the physical system but more recently, the focus on cyber resilience has been evolving rapidly especially given the burgeoning growth of distributed generation and power-electronics-based DERs under smart grid and given that such threats to reliable operation do not have to evolve localized to where the physical asset is. Commonly, in power grids dominated by DERS, control and energy management are structured at a multitime scale multilayer fashion: (i) primary control layer at microseconds time scale, (ii) secondary control layer at millisecond time scale, and (iii) tertiary control layer at seconds to minutes time scale. The cyber-related issues that may affect the power grid resilience can be introduced in through primary, secondary, and tertiary control layers. The failure of each of these control layers may impact the reliable and resilient operation of the overall network and cause widespread failures which leads to unintended blackouts. As such, this chapter focuses on cyber-related resilience issues in primary control layer, secondary control layer, tertiary control layer, wide area/utility control, and anomaly detection and resilient communication.

anomaly detection↗
DOE OSTI2026

Emerging hierarchical dislocation structures: Insights from scanning electron microscopy-electron backscatter diffraction in situ tensile testing and multifractal analysis

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter diffraction tensile testing combined with multifractal (MF) analysis to assess deformation-induced dislocation structure evolution in solution-annealed 304 L stainless steel, both in its as-received and neutron-irradiated states (5.4 displacements per atom). The analysis of kernel average misorientation patterns revealed the formation of hierarchical dislocation arrangements that exhibit clear MF scaling behavior. Despite pronounced visual differences between nonirradiated and irradiated specimens—most notably, the appearance of dislocation channels after irradiation—the singularity spectra suggest that both conditions give rise to similar underlying hierarchical structures. MF analysis provides a quantitative measure of the spatial complexity and self-organization of dislocation patterns, highlighting the accelerated emergence and evolution of the dislocation structures in irradiated polycrystalline materials, as well as the limitation of their spatial extent. The findings indicate that irradiation not only modifies microstructure but also alters correlation-driven dislocation organization. More generally, they demonstrate that MF analysis is a powerful tool for probing mesoscale deformation mechanisms.

Dislocation structures↗