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At least 199 records · Page 11

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DOE OSTI2023

Neural Network-Enhanced Reproducing Kernel Particle Method for Image-Based Multiphysics Damage Modeling of Energy Storage Materials

Energy storage materials undergo significant stresses during charge/discharge cycling, which makes understanding their reliability and durability fundamental in predicting performance and service life. Strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking, largely along material interfaces and grain boundaries. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), image-based modeling techniques are used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electrochemical-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in capturing crack propagation due to mesh dependency. Additionally, commonly used damage models, such as the continuous damage model and the cohesive zone model, often have steep tradeoffs between discontinuous field accuracy and computational expense. In this work, a neural network-enhanced reproducing kernel particle method (NN-RKPM) [1] is leveraged to accurately capture damage and crack propagation throughout the material by learning the location, orientation, and sharpness of discontinuity while allowing for a coarser nodal distribution than that necessary for capturing sharp solution transitions using traditional mesh-based methods. NN-RKPM is used to inform how crack opening and closure in turn affect the coupled chemical equations and material microstructure. Reference: [1] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, pp 4422-4454, https://doi.org/10.1002/nme.7040, 2022.

damage modeling↗

NASA NTRS2017

A Laboratory Method for Assessing Audibility and Localization of Rotorcraft Fly-In Noise

The low frequency content of rotorcraft noise allows it to be heard over great distances. This factor contributes to the disruption of natural quiet in national parks and wilderness areas, and can lead to annoyance in populated areas. Further, it can result in the sound being heard at greater distances compared to higher altitude fixed wing aircraft operations. Human response studies conducted in the field are challenging since test conditions are difficult to control. This paper presents a means of quantitatively determining the audibility and localization of rotorcraft fly-in noise, under a specified ambient noise condition, within a controlled laboratory environment. It is demonstrated using synthetic fly-in noise of a light utility helicopter. The method is shown to resolve differences in audibility distances due to different ground impedances, propagation modeling methods, and directivity angles. Further, it demonstrates the efficacy of an accelerated test method.

Rizzi, Stephen A.↗

DOE OSTI2025

Neutron matter from local chiral effective field theory interactions at large cutoffs

Neutron matter is an important many-body system that provides valuable constraints for the equation of state (EOS) of neutron stars. Neutron-matter calculations employing chiral effective field theory (EFT) interactions have been extensively used for this purpose. Among the various many-body methods, quantum Monte Carlo (QMC) methods stand out due to their nonperturbative nature and the achievable precision. However, QMC methods require local interactions as input, which leads to the appearance of stronger regulator artifacts compared to nonlocal interactions. To circumvent this, we employ large-cutoff interactions derived within chiral EFT (400 MeV ≤ Λ 𝑐 ≤ 700MeV) for studies of pure neutron matter. These interactions have been adjusted to nucleon-nucleon scattering phase shifts, the triton binding energy, as well as the triton 𝛽-decay half-life. We find that regulator artifacts significantly decrease with increasing cutoff, leading to a significant reduction of uncertainties in the neutron-matter EOS. We discuss implications for the symmetry energy and demonstrate how our new calculations lead to a reduction in the theoretical uncertainty of predicted neutron-star radii by up to 30% for low-mass stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1977

Spectroscopic determination of electrical conductivity in an MHD duct from absolute intensity measurements

Measurements of the electrical conductivity in the NASA Lewis cesium seeded, H2-O2 MHD duct have been previously reported. In order to corroborate the above measurements and to analyze the possibility of nonuniform seed injection as a cause of the deviations, a spectroscopic investigation of the plasma conductivity has been undertaken. Transverse profiles of the absolute integrated intensity were measured from the optically thin lines of CSI-.5664 microns and .5636 microns. Radial profiles of emission coefficient were obtained from the measured transverse profiles of intensity by Abel inversion. Radial profiles of electrical conductivity were then obtained under two different assumptions. In the first, the Cs seed fraction is assumed uniform and equal to the measured flow rate at the time when the temperature and conductivity were obtained. In the second method, the local temperature and pressure are taken to be those given by a one-dimensional channel calculation including heat transfer and friction. In this case profiles of conductivity and seed fractions are obtained. The results of the two methods are compared to the previously measured conductivity.

Wang, S. Y.↗

DOE OSTI2024

A Local Macroscopic Conservative (LoMaC) Low Rank Tensor Method for the Vlasov Dynamics

Abstract In this paper, we propose a novel Local Macroscopic Conservative (LoMaC) low rank tensor method for simulating the Vlasov-Poisson (VP) system. The LoMaC property refers to the exact local conservation of macroscopic mass, momentum and energy at the discrete level. This is a follow-up work of our previous development of a conservative low rank tensor approach for Vlasov dynamics ( arXiv:2201.10397 ). In that work, we applied a low rank tensor method with a conservative singular value decomposition to the high dimensional VP system to mitigate the curse of dimensionality, while maintaining the local conservation of mass and momentum. However, energy conservation is not guaranteed, which is a critical property to avoid unphysical plasma self-heating or cooling. The new ingredient in the LoMaC low rank tensor algorithm is that we simultaneously evolve the macroscopic conservation laws of mass, momentum and energy using a flux-difference form with kinetic flux vector splitting; then the LoMaC property is realized by projecting the low rank kinetic solution onto a subspace that shares the same macroscopic observables by a conservative orthogonal projection. The algorithm is extended to the high dimensional problems by hierarchical Tuck decomposition of solution tensors and a corresponding conservative projection algorithm. Extensive numerical tests on the VP system are showcased for the algorithm’s efficacy.

Guo, Wei↗

NASA NTRS1988

The effect of inertial coupling in the dynamics and control of flexible robotic manipulators

A general model of the dynamics of flexible robotic manipulators is presented, including the gross motion of the links, the vibrations of the links and joints, and the dynamic coupling between the gross motions and vibrations. The vibrations in the links may be modeled using lumped parameters, truncated modal summation, a component mode synthesis method, or a mixture of these methods. The local link inertia matrix is derived to obtain the coupling terms between the gross motion of the link and the vibrations of the link. Coupling between the motions of the links results from the kinematic model, which utilizes the method of kinematic influence. The model is used to simulate the dynamics of a flexible space-based robotic manipulator which is attached to a spacecraft, and is free to move with respect to the inertial reference frame. This model may be used to study the dynamic response of the manipulator to the motions of its joints, or to externally applied disturbances.

Tesar, Delbert↗

NASA NTRS2010

A Geometric Approach to Modeling Microstructurally Small Fatigue Crack Formation: Simulation and Prediction of Crack Nucleation in AA 7075-T651 - 2

The objective of this paper is to develop further a framework for computationally modeling microstructurally small fatigue crack growth in AA 7075-T651 [1]. The focus is on the nucleation event, when a crack extends from within a second-phase particle into a surrounding grain, since this has been observed to be an initiating mechanism for fatigue crack growth in this alloy. It is hypothesized that nucleation can be predicted by computing a non-local nucleation metric near the crack front. The hypothesis is tested by employing a combination of experimentation and nite element modeling in which various slip-based and energy-based nucleation metrics are tested for validity, where each metric is derived from a continuum crystal plasticity formulation. To investigate each metric, a non-local procedure is developed for the calculation of nucleation metrics in the neighborhood of a crack front. Initially, an idealized baseline model consisting of a single grain containing a semi-ellipsoidal surface particle is studied to investigate the dependence of each nucleation metric on lattice orientation, number of load cycles, and non-local regularization method. This is followed by a comparison of experimental observations and computational results for microstructural models constructed by replicating the observed microstructural geometry near second-phase particles in fatigue specimens. It is found that orientation strongly influences the direction of slip localization and, as a result, in uences the nucleation mechanism. Also, the baseline models, replication models, and past experimental observation consistently suggest that a set of particular grain orientations is most likely to nucleate fatigue cracks. It is found that a continuum crystal plasticity model and a non-local nucleation metric can be used to predict the nucleation event in AA 7075-T651. However, nucleation metric threshold values that correspond to various nucleation governing mechanisms must be calibrated.

Hochhalter, Jake D.↗

DOE OSTI2019

A space-time adaptive finite element method with exponential time integrator for the phase field model of pitting corrosion

In this paper we propose a space-time adaptive finite element method for the phase field model of pitting corrosion, which is a parabolic partial differential equation system consisting of a phase variable and a concentration variable. A major challenge in solving this phase field model is that the problem is very stiff, which makes the time step size extremely small for standard temporal discretizations. Another difficulty is that a high spatial resolution is required to capture the steep gradients within the diffused interface, which results in very large number of degrees of freedom for uniform meshes. To overcome the stiffness of this model, we combine the Rosenbrock–Euler exponential integrator with Crank–Nicolson scheme for the temporal discretization. Moreover, by exploiting the fact that the speed of the corroding interface decreases with time, we derive an adaptive time stepping formula. For the spatial approximation, we propose a simple and efficient strategy to generate adaptive meshes that reduces the computational cost significantly. Thus, the proposed method utilizes local adaptivity and mesh refinement for efficient simulation of the corrosive dissolution over long times in heterogeneous media with complex microstructures. We also present an extensive set of numerical experiments in both two and three dimensional spaces to demonstrate efficiency and robustness of the proposed method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2022

On-board Absolute Localization Based on Orbital Imagery for a Future Mars Science Helicopter

Future Mars Rotorcraft require advanced navigationcapabilities to enable all terrain access over long distance flightsthat are executed fully autonomously. A critical component toenable precision navigation during long traverses is the abilityto perform on-board absolute localization to eliminate drift inposition estimates of the on-board odometry algorithm. Inthis paper, we present an approach for on-board map-basedlocalization to provide global reference position based on orbitalor aerial image maps. Our approach builds on a vision-basedlocalization method to localize against a map derived fromHiRISE image products – an ortho-projected image (orthoimage) and a corresponding digital elevation map. The mapis pre-computed using a feature-based approach. Features arestored with their 3D world coordinates, and a descriptor to codethe local image intensity information in the vicinity of the featurelocation. An on-board matching algorithm uses this informationto match visual features in a query image acquired during flight,guided by a pose prior from the on-board range-visual-inertialstate estimator (Range-VIO). Valid matches are then used bya perspective-n-point (PnP) algorithm to estimate the absolutepose of the vehicle in a global frame. We demonstrate andevaluate our approach on simulated data, and data from UASflights.

Balaram, J. Bob↗

DOE OSTI2020

Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods

Here, we studied the effects of self-interaction error (SIE) on the static dipole polarizabilities of water clusters modelled with three increasingly sophisticated, non-empirical density functional approximations (DFAs), viz. the local spin density approximation (LDA), the Perdew-Burke-Ernzherof (PBE) generalized-gradient approximation (GGA), and the strongly constrained and appropriately normed (SCAN) meta-GGA, using the Perdew-Zunger self-interaction-correction (PZ-SIC) energy functional in the Fermi-Lowdin orbital SIC (FLO-SIC) framework. Our results show that while all three DFAs overestimate the cluster polarizabilities, the description systematically improves from LDA to PBE to SCAN. The self-correlation free SCAN predicts polarizabilities quite accurately with a mean absolute error (MAE) of 0.58 Bohr 3 with respect to coupled cluster singles and doubles (CCSD) values. Removing SIE using PZ-SIC correctly reduces the DFA polarizabilities, but over-corrects, resulting in underestimated polarizabilities in SIC-LDA, -PBE, and -SCAN. Finally, we applied a recently proposed local-scaling SIC (LSIC) method using a quasi self-consistent scheme and using the kinetic energy density ratio as an iso-orbital indicator. The results show that the LSIC polarizabilities are in excellent agreement with mean absolute error of 0.08 Bohr 3 for LSIC-LDA and 0.06 Bohr 3 for LSIC-PBE with most recent CCSD polarizabilities. Likewise, the ionization energy estimates as an absolute of highest occupied energy eigenvalue predicted by LSIC are also in excellent agreement with CCSD(T) ionization energies with MAE of 0.4 eV for LSIC-LDA and 0.04 eV for LSIC-PBE. The LSIC-LDA predictions of ionization energies are comparable to the reported GW ionization energies while the LSIC-PBE ionization energies are more accurate than reported GW results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2007

Quasi-Linear Parameter Varying Representation of General Aircraft Dynamics Over Non-Trim Region

For applying linear parameter varying (LPV) control synthesis and analysis to a nonlinear system, it is required that a nonlinear system be represented in the form of an LPV model. In this paper, a new representation method is developed to construct an LPV model from a nonlinear mathematical model without the restriction that an operating point must be in the neighborhood of equilibrium points. An LPV model constructed by the new method preserves local stabilities of the original nonlinear system at "frozen" scheduling parameters and also represents the original nonlinear dynamics of a system over a non-trim region. An LPV model of the motion of FASER (Free-flying Aircraft for Subscale Experimental Research) is constructed by the new method.

Shin, Jong-Yeob↗

DOE OSTI2026

Ab Initio Many Body Quantum Embedding and Local Correlation in Crystalline Materials using Interpolative Separable Density Fitting

We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which reduces the scaling of the calculations to only linear with the number of k-points. Employing this methodology, we compute correlated ground-state coupled cluster energies within density matrix embedding and local natural orbital correlation frameworks for both weakly and strongly correlated solids, using up to 1000 k-points. By extrapolating the local correlation domains and k-point sampling we further obtain estimates of the full coupled cluster with singles, doubles, and perturbative triples ground-state energies in the thermodynamic limit.

Chemical Physics (physics.chem-ph)↗

NASA NTRS1981

Efficient computation of the stability of three-dimensional compressible boundary layers

Methods for the computer analysis of the stability of three-dimensional compressible boundary layers are discussed and the user-oriented Compressible Stability Analysis (COSAL) computer code is described. The COSAL code uses a matrix finite-difference method for local eigenvalue solution when a good guess for the eigenvalue is available and is significantly more computationally efficient than the commonly used initial-value approach. The local eigenvalue search procedure also results in eigenfunctions and, at little extra work, group velocities. A globally convergent eigenvalue procedure is also developed which may be used when no guess for the eigenvalue is available. The global problem is formulated in such a way that no unstable spurious modes appear so that the method is suitable for use in a black-box stability code. Sample stability calculations are presented for the boundary layer profiles of an LFC swept wing.

Malik, M. R.↗

NASA NTRS1982

Finite-difference solution of the compressible stability eigenvalue problem

A compressible stability analysis computer code is developed. The code uses a matrix finite difference method for local eigenvalue solution when a good guess for the eigenvalue is available and is significantly more computationally efficient than the commonly used initial value approach. The local eigenvalue search procedure also results in eigenfunctions and, at little extra work, group velocities. A globally convergent eigenvalue procedure is also developed which may be used when no guess for the eigenvalue is available. The global problem is formulated in such a way that no unstable spurious modes appear so that the method is suitable for use in a black box stability code. Sample stability calculations are presented for the boundary layer profiles of a Laminar Flow Control (LFC) swept wing.

Malik, M. R.↗

NASA NTRS1987

Linear stability analysis of three-dimensional compressible boundary layers

A compressible stability analysis computer code is developed. The code uses a matrix finite-difference method for local eigenvale solution when a good guess for the eigenvalue is available and is significantly more computationally efficient than the commonly used inital-value approach. The local eigenvalue search procedure also results in eigenfunctions and, at little extra work, group velocities. A globally convergent eigenvalue procedure is also developed that may be used when no guess for the eigenvalue is available. The global problem is formulated in such a way that no unstable spurious modes appear so that the method is suitable for use in a black-box stability code. Sample stability calculations are presented for the boundary layer profiles of an LFC swept wing.

Malik, Mujeeb R.↗

NASA NTRS1992

Phasing of a space based segmented submillimeter wavelength telescope using focal plane measurements

As part of a technology development program for realizing a space based submillimeter telescope, two different approaches to the absolute phasing of a segmented primary mirror using focal plane measurements have been implemented for feasibility. The method of optimization by simulated annealing evaluates the image quality of a point spread function after all the telescope segments have been randomly moved. It accepts each iteration which improves the image quality, as well as a random number of iterations which do not, thus keeping the Strehl in the initialization procedure from falling into local maxima. Methods for determining the annealing schedule, and the step size for random segment movements are presented and discussed. Using phase diversity and a model for the telescope imaging system, a nonlinear least squares algorithm has also been implemented which parameterizes each of the segment actuator movements. Using multiple out of focus images, the segment actuator positions are estimated using an iterative procedure. Nonlinear least squares, although computationally intensive, offers a large savings in the actuator movements over simulated annealing and pairwise phasing methods for large numbers of segments. These algorithms have been integrated into a general simulation program which models the behavior of the telescope under anticipated space conditions.

Levine, B. M.↗

NASA NTRS2003

Aerodynamic Shape Optimization Using Hybridized Differential Evolution

An aerodynamic shape optimization method that uses an evolutionary algorithm known at Differential Evolution (DE) in conjunction with various hybridization strategies is described. DE is a simple and robust evolutionary strategy that has been proven effective in determining the global optimum for several difficult optimization problems. Various hybridization strategies for DE are explored, including the use of neural networks as well as traditional local search methods. A Navier-Stokes solver is used to evaluate the various intermediate designs and provide inputs to the hybrid DE optimizer. The method is implemented on distributed parallel computers so that new designs can be obtained within reasonable turnaround times. Results are presented for the inverse design of a turbine airfoil from a modern jet engine. (The final paper will include at least one other aerodynamic design application). The capability of the method to search large design spaces and obtain the optimal airfoils in an automatic fashion is demonstrated.

Madavan, Nateri K.↗

DOE OSTI2024

Xylem-dwelling pathogen unaffected by local xylem vessel network properties in grapevines ( Vitis spp.)

Abstract Background and aims Xylella fastidiosa (Xf) is the xylem-dwelling bacterium associated with Pierce’s disease (PD), which causes mortality in agriculturally important species, such as grapevine (Vitis vinifera). The development of PD symptoms in grapevines depends on the ability of Xf to produce cell-wall-degrading enzymes to break up intervessel pit membranes and systematically spread through the xylem vessel network. Our objective here was to investigate whether PD resistance could be mechanistically linked to xylem vessel network local connectivity. Methods We used high-resolution X-ray micro-computed tomography (microCT) imaging to identify and describe the type, area and spatial distribution of intervessel connections for six different grapevine genotypes from three genetic backgrounds, with varying resistance to PD (four PD resistant and two PD susceptible). Key results Our results suggest that PD resistance is unlikely to derive from local xylem network connectivity. The intervessel pit area (Ai) varied from 0.07 ± 0.01 mm2 mm−3 in Lenoir to 0.17 ± 0.03 mm2 mm−3 in Blanc do Bois, both PD resistant. Intervessel contact fraction (Cp) was not statically significant, but the two PD-susceptible genotypes, Syrah (0.056 ± 0.015) and Chardonnay (0.041 ± 0.013), were among the most highly connected vessel networks. Neither Ai nor Cp explained differences in PD resistance among the six genotypes. Bayesian re-analysis of our data shows moderate evidence against the effects of the traits analysed: Ai (BF01 = 4.88), mean vessel density (4.86), relay diameter (4.30), relay density (3.31) and solitary vessel proportion (3.19). Conclusions Our results show that radial and tangential xylem network connectivity is highly conserved within the six different Vitis genotypes we sampled. The way that Xf traverses the vessel network may limit the importance of local network properties to its spread and may confer greater importance on host biochemical responses.

Plant Sciences↗