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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A second-order accurate immersed boundary-lattice Boltzmann method for particle-laden flows

A new immersed boundary-lattice Boltzmann method (IB-LBM) is presented for fully resolved simulations of incompressible viscous flows laden with rigid particles. The immersed boundary method (IBM) recently developed by Breugem (2012) [19] is adopted in the present method, development including the retraction technique, the multi-direct forcing method and the direct account of the inertia of the fluid contained within the particles. The present IB-LBM is, however, formulated with further improvement with the implementation of the high-order Runge–Kutta schemes in the coupled fluid–particle interaction. The major challenge to implement high-order Runge–Kutta schemes in the LBM is that the flow information such as density and velocity cannot be directly obtained at a fractional time step from the LBM since the LBM only provides the flow information at an integer time step. This challenge can be, however, overcome as given in the present IB-LBM by extrapolating the flow field around particles from the known flow field at the previous integer time step. The newly calculated fluid–particle interactions from the previous fractional time steps of the current integer time step are also accounted for in the extrapolation. The IB-LBM with high-order Runge–Kutta schemes developed in this study is validated by several benchmark applications. It is demonstrated, for the first time, that the IB-LBM has the capacity to resolve the translational and rotational motion of particles with the second-order accuracy. The optimal retraction distances for spheres and tubes that help the method achieve the second-order accuracy are found to be around 0.30 and −0.47 times of the lattice spacing, respectively. Simulations of the Stokes flow through a simple cubic lattice of rotational spheres indicate that the lift force produced by the Magnus effect can be very significant in view of the magnitude of the drag force when the practical rotating speed of the spheres is encountered. This finding may lead to more comprehensive studies of the effect of the particle rotation on fluid–solid drag laws. It is also demonstrated that, when the third-order or the fourth-order Runge–Kutta scheme is used, the numerical stability of the present IB-LBM is better than that of all methods in the literature, including the previous IB-LBMs and also the methods with the combination of the IBM and the traditional incompressible Navier–Stokes solver. - Highlights: • The IBM is embedded in the LBM using Runge–Kutta time schemes. • The effectiveness of the present IB-LBM is validated by benchmark applications. • For the first time, the IB-LBM achieves the second-order accuracy. • The numerical stability of the present IB-LBM is better than previous methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Examining the Feasibility of Modeling the Inner Current Loop of a Grid-Following Inverter in the Phasor-Based Solver

Historically, when modeling a grid-following (GFL) inverter in the phasor domain, the fast inner current loop is typically ignored. To achieve a more accurate modeling, the authors have attempted to model the inner current loop in the phasor domain, but experienced significant numerical stability issues. This paper conducts a detailed analysis and provides insight into the feasibility of modeling the inner current loop of a GFL inverter in the phasor domain. It points out that: a) because of the neglection of the inverter filter dynamic, the bandwidth of the inner current loop becomes infinite with typical parameters in the phasor domain, resulting in an inaccurate representation of the actual inner current loop, whose bandwidth is typically between 600 Hz to 2 kHz, and b) the relatively large simulation time step in the phasor simulation causes numerical stability issues when simulating such an inner current loop with an infinite bandwidth. Detailed electromagnetic (EMT) and phasor modeling, and frequency response analysis are performed to explain this phenomenon. The findings of this paper explain why it is inappropriate to model the fast current loop of a GFL inverter in the phasor domain.

Mohiuddin, Sheik Mohammad↗
DOE OSTI2026

Characteristics of Fluid‐Solid Interaction Constitutive Models Within Poroelastodynamics at Higher Strain‐Rates and Large Deformations Implemented in 1D

The large deformation, mixed formulation, finite element (FE) modeling approach presented in Irwin et al. 2024 is extended herein to include improved constitutive models for representing dynamic solid-fluid interactions at higher strain rates (𝒪⁢(1⁢0 2 −1⁢0 3 )⁢s −1 ) and larger overpressure magnitudes (𝒪⁡(1⁢0 2 )⁢kPa) within a biphasic soft porous material using Theory of Porous Media (TPM) at finite strain. Specifically, these constitutive modeling improvements are the following: (i) a more physically robust constitutive model for pore fluid seepage velocity via inclusion of pore fluid viscous stress, and (ii) a modified deformation-dependent-permeability model and updated hyperelastic constitutive model better suited for handling larger volumetric compressions and extensions. The novelty of the present work is mainly the contribution (i): inclusion of pore fluid viscous stress at higher strain-rate and large deformations, which requires 𝐶 1 continuity in the weak formulation, accomplished by employing Hermite cubic interpolation functions within a mixed nonlinear poromechanical finite element formulation. In (ii), the model is updated to weakly enforce solid phase incompressibility, such that this assumption is not violated numerically, which provides improved numerical stability for achieving larger overpressure magnitudes on 𝒪⁡(1⁢0 2 ) kPa, which were not achievable with the previous Kozeny–Carman model in Irwin et al. 2024. Also in (ii), the volumetric part of the solid skeleton free energy function is modified to ensure proper bounds on the solid skeleton Jacobian of deformation 𝐽 s related to incompressibility of the solid phase. Uniaxial strain, unidirectional flow examples at higher strain rates (𝒪⁢(1⁢0 2 −1⁢0 3 )⁢s −1 ) and larger deformations (up to 0.2 (or 20%) nominal axial strain) demonstrate the improved physical representation—and numerical stability—of these constitutive model improvements.

42 ENGINEERING↗
DOE OSTI2015

Reconstructing householder vectors from Tall-Skinny QR

The Tall-Skinny QR (TSQR) algorithm is more communication efficient than the standard Householder algorithm for QR decomposition of matrices with many more rows than columns. However, TSQR produces a different representation of the orthogonal factor and therefore requires more software development to support the new representation. Further, implicitly applying the orthogonal factor to the trailing matrix in the context of factoring a square matrix is more complicated and costly than with the Householder representation. We show how to perform TSQR and then reconstruct the Householder vector representation with the same asymptotic communication efficiency and little extra computational cost. We demonstrate the high performance and numerical stability of this algorithm both theoretically and empirically. The new Householder reconstruction algorithm allows us to design more efficient parallel QR algorithms, with significantly lower latency cost compared to Householder QR and lower bandwidth and latency costs compared with Communication-Avoiding QR (CAQR) algorithm. Experiments on supercomputers demonstrate the benefits of the communication cost improvements: in particular, our experiments show substantial improvements over tuned library implementations for tall-and-skinny matrices. Furthermore, we also provide algorithmic improvements to the Householder QR and CAQR algorithms, and we investigate several alternatives to the Householder reconstruction algorithm that sacrifice guarantees on numerical stability in some cases in order to obtain higher performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Delayed Update Algorithms for Quantum Monte Carlo Simulation on GPU: Extended Abstract

QMCPACK is open source scientific software designed to perform Quantum Monte Carlo (QMC) simulation, a first-principles method for describing many-body systems. The evaluation of each Monte Carlo move requires finding the determinant of a dense matrix in the wave functions. This calculation forms a key computational kernel in QMCPACK. After each accepted event, the wave function matrix undergoes a rank-one update to represent a single particle move within the system. The matrix inverse is updated via the Sherman-Morrison formula; occasionally, the explicit inverse must be recomputed to maintain numerical stability.; We propose an alternate approach to this kernel that utilizes QR factorization to maintain stability without refactorization. In addition, algorithms based on a novel delayed update scheme are explored in this effort. This strategy enables probability evaluation for multiple successive Monte Carlo moves, with application of accepted moves to the wave function matrix delayed until an event is denied, or a predetermined limit on acceptances p is reached. Accepted events grouped in this manner are then applied to the matrix en bloc with enhanced arithmetic intensity and computational efficiency. Delayed update Sherman-Morrison probability evaluation algorithms with CPU and GPU-accelerated implementations are tested, profiled, and analyzed. A QR based delayed update algorithm remains in development. Results are evaluated against existing methods for numerical stability and efficiency; emphasis is placed on large systems, for which acceleration is critical.

Computer Science↗
DOE OSTI2015

Plasma viscosity with mass transport in spherical inertial confinement fusion implosion simulations

The effects of viscosity and small-scale atomic-level mixing on plasmas in inertial confinement fusion(ICF) currently represent challenges in ICF research. Many current ICF hydrodynamic codes ignore the effects of viscosity though recent research indicates viscosity and mixing by classical transport processes may have a substantial impact on implosion dynamics. In this paper, we have implemented a Lagrangian hydrodynamic code in one-dimensional spherical geometry with plasmaviscosity and mass transport and including a three temperature model for ions, electrons, and radiation treated in a gray radiation diffusion approximation. The code is used to study ICF implosion differences with and without plasmaviscosity and to determine the impacts of viscosity on temperature histories and neutron yield. It was found that plasmaviscosity has substantial impacts on ICF shock dynamics characterized by shock burn timing, maximum burn temperatures, convergence ratio, and time history of neutron production rates. Finally, plasmaviscosity reduces the need for artificial viscosity to maintain numerical stability in the Lagrangian formulation and also modifies the flux-limiting needed for electron thermal conduction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Extraction of Tumor Site from Cancer Pathology Reports using Deep Filters

Purpose: Pathology reports are the primary source of information concerning the millions of cancer cases across the United States. Cancer registries manually process the pathology reports to extract the pertinent information including primary tumor site, behavior, histology, laterality, and grade. Processing a large volume of the pathology reports in a timely manner is a continuing challenge for cancer registries. The purpose of this study is to develop an information extraction pipeline to reliably and efficiently extract reportable information. Method: We have developed a novel inverse-regression (IR) based information extraction pipeline. The inverse-regression based supervised filter has been successfully applied to many application domains. However, its application to the information extraction from unstructured text is hindered primarily by the extreme high-dimensionality of n-gram representations of text. In this study, we attempt to overcome the obstacles by a novel bootstrapping strategy. First, we use an information-theoretic mutual information based filter to discard the excessive and redundant n-gram features. This step reduces the size and improves the condition number of the sample covariance matrix, thus reducing the computational cost and improving the numerical stability of the subsequent inverse-regression step. Then we use localized sliced inverse-regression (LSIR) to learn a low-dimensional discriminatory subspace for information inference. In particular, we use the k-nearest neighbors of an unlabeled pathology report in the learned representation to infer the desired information from the labeled data in a supervised manner. Results: The experiments were conducted on a set of de-identified pathology reports with human expert labels as the ground truth. Our pipeline consistently performed better than or comparable to the best performing state-of-the-art methods while reducing the training and inference times substantially. Conclusion: Our results demonstrate the potential of inverse-regression based information extraction pipeline for reliable and efficient information extraction from unstructured text. The information extracted from the pathology reports can be used along with clinical information, medical imaging, and genomic information to instigate discoveries in cancer research.

Dubey, Abhishek↗
DOE OSTI2018

Convergence and asymptotical stability of numerical solutions for neutral stochastic delay differential equations driven by G-Brownian motion

There are few numerical analysis results for nonlinear neutral stochastic delay differential equations driven by G-Brownian motion (G-NSDDEs). This paper is concerned with the numerical solutions of the G-NSDDEs to fill this gap. In this paper, we first devote to show that the stochastic theta numerical solution converges to the exact solution for the G-NSDDE. We then prove that the backward Euler–Maruyama numerical solution for the G-NSDDE is asymptotically mean-square stable under suitable conditions. Moreover, a numerical example is demonstrated to illustrate the effectiveness of our obtained results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Stabilization of numerical interchange in spectral-element magnetohydrodynamics

In this study, auxiliary numerical projections of the divergence of flow velocity and vorticity parallel to magnetic field are developed and tested for the purpose of suppressing unphysical interchange instability in magnetohydrodynamic simulations. The numerical instability arises with equal-order C 0 finite- and spectral-element expansions of the flow velocity, magnetic field, and pressure and is sensitive to behavior at the limit of resolution. The auxiliary projections are motivated by physical field-line bending, and coercive responses to the projections are added to the flow-velocity equation. Their incomplete expansions are limited to the highest-order orthogonal polynomial in at least one coordinate of the spectral elements. Cylindrical eigenmode computations show that the projections induce convergence from the stable side with first-order ideal-MHD equations during h-refinement and p-refinement. Hyperbolic and parabolic projections and responses are compared, together with different methods for avoiding magnetic divergence error. Lastly, the projections are also shown to be effective in linear and nonlinear time-dependent computations with the NIMROD code [C. R. Sovinec, et al., J. Comput. Phys. 195 (2004) 355-386], provided that the projections introduce numerical dissipation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Anderson acceleration and application to the three-temperature energy equations

The Anderson acceleration method is an algorithm for accelerating the convergence of fixed-point iterations, including the Picard method. Anderson acceleration was first proposed in 1965 and, for some years, has been used successfully to accelerate the convergence of self-consistent field iterations in electronic-structure computations. Recently, the method has attracted growing attention in other application areas and among numerical analysts. Compared with a Newton-like method, an advantage of Anderson acceleration is that there is no need to form the Jacobian matrix. Thus the method is easy to implement. In this paper, an Anderson-accelerated Picard method is employed to solve the three-temperature energy equations, which are a type of strong nonlinear radiation-diffusion equations. Two strategies are used to improve the robustness of the Anderson acceleration method. One strategy is to adjust the iterates when necessary to satisfy the physical constraint. Another strategy is to monitor and, if necessary, reduce the matrix condition number of the least-squares problem in the Anderson-acceleration implementation so that numerical stability can be guaranteed. Numerical results show that the Anderson-accelerated Picard method can solve the three-temperature energy equations efficiently. Compared with the Picard method without acceleration, Anderson acceleration can reduce the number of iterations by at least half. A comparison between a Jacobian-free Newton–Krylov method, the Picard method, and the Anderson-accelerated Picard method is conducted in this paper.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1986

On recent advances and future research directions for computational fluid dynamics

This paper highlights some recent accomplishments regarding CFD numerical algorithm constructions for generation of discrete approximate solutions to classes of Reynolds-averaged Navier-Stokes equations. Following an overview of turbulent closure modeling, and development of appropriate conservation law systems, a Taylor weak-statement semi-discrete approximate solution algorithm is developed. Various forms for completion to the final linear algebra statement are cited, as are a range of candidate numerical linear algebra solution procedures. This development sequence emphasizes the key building blocks of a CFD RNS algorithm, including solution trial and test spaces, integration procedure and added numerical stability mechanisms. A range of numerical results are discussed focusing on key topics guiding future research directions.

Baker, A. J.↗
NASA NTRS2007

The alpha(3) Scheme - A Fourth-Order Neutrally Stable CESE Solver

The conservation element and solution element (CESE) development is driven by a belief that a solver should (i) enforce conservation laws in both space and time, and (ii) be built from a non-dissipative (i.e., neutrally stable) core scheme so that the numerical dissipation can be controlled effectively. To provide a solid foundation for a systematic CESE development of high order schemes, in this paper we describe a new 4th-order neutrally stable CESE solver of the advection equation Theta u/Theta + alpha Theta u/Theta x = 0. The space-time stencil of this two-level explicit scheme is formed by one point at the upper time level and three points at the lower time level. Because it is associated with three independent mesh variables u(sup n) (sub j), (u(sub x))(sup n) (sub j) , and (uxz)(sup n) (sub j) (the numerical analogues of u, Theta u/Theta x, and Theta(exp 2)u/Theta x(exp 2), respectively) and four equations per mesh point, the new scheme is referred to as the alpha(3) scheme. As in the case of other similar CESE neutrally stable solvers, the alpha(3) scheme enforces conservation laws in space-time locally and globally, and it has the basic, forward marching, and backward marching forms. These forms are equivalent and satisfy a space-time inversion (STI) invariant property which is shared by the advection equation. Based on the concept of STI invariance, a set of algebraic relations is developed and used to prove that the alpha(3) scheme must be neutrally stable when it is stable. Moreover it is proved rigorously that all three amplification factors of the alpha(3) scheme are of unit magnitude for all phase angles if |v| <= 1/2 (v = alpha delta t/delta x). This theoretical result is consistent with the numerical stability condition |v| <= 1/2. Through numerical experiments, it is established that the alpha(3) scheme generally is (i) 4th-order accurate for the mesh variables u(sup n) (sub j) and (ux)(sup n) (sub j); and 2nd-order accurate for (uxx)(sup n) (sub j). However, in some exceptional cases, the scheme can achieve perfect accuracy aside from round-off errors.

Chang, Sin-Chung↗
DOE OSTI2020

Analysis into Asymptotic Convergence to Full Nonlinear Solutions and Exploration of the Implication of Numerical Operator Mutation of Differential Systems

A robust, sufficiently accurate and practical hydrodynamic simulation toolset is required as a key component of the modeling and simulation of air-gap electrostatic discharge events. This work was performed to complement these ongoing efforts. In particular, hydrodynamic simulations must be vetted to ensure they are robust and sufficiently accurate over relevant characteristic scales. Verification models were generated in order to cultivate the technical knowledge and expertise needed to properly create, implement and execute numerical simulations. Furthermore, this effort was utilized extensively to educate students on the mathematical and numerical principles underlying hydrodynamic simulations. This education opportunity, provided in a holistic and rigorous manner, has greatly benefited developing scientists and engineers with the necessary understandings and toolsets required to excel at accomplishing the task at hand, and, more generally, it has enabled them to generate key programmatic deliverables. This report articulates several subtilties; specifically, how perturbations, nonlinear behavior, and dissipative mechanisms influence numerical stability, how to properly structure mathematical and numerical solutions, and how to properly generate error estimation/assignment. A more rigorous discussion of the consequences of such topics can be found in the body of this report in Chapters 2 and 3 with qualitative findings discussed in Chapter 4.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A High-Order Discontinuous Galerkin Spectral Element Method for Compressible Reacting Flows

High-order methods have recently been shown to be an effective tool for high-fidelity flow computations like direct numerical simulations and large eddy simulations due to their strong balance between accuracy and computational cost. In this work, a high-order discontinuous Galerkin spectral element method (DGSEM) is developed to solve the chemically reactive Euler equations encountered in high-speed combustion. To handle the disparate length and time scales associated with these equations, we develop a novel method which combines the spectral accuracy of the SEM with the flexibility of DG approach. Thus, the framework is well suited to capture turbulence in smooth regions of the flow, while maintaining numerical stability in the presence of shocks. The numerical method is implemented within the spectral element solver Nek5000. Validation cases are conducted for both non-reactive and reactive discontinuous flows to demonstrate the solver capability. In particular, canonical one-dimensional and two-dimensional detonation simulations are performed and the high-order numerical results are validated against available literature data.

computational fluid dynamics (CFD)↗
NASA NTRS1993

Pseudospectral simulation of compressible turbulence using logarithmic variables

The direct numerical simulation of dissipative, highly compressible turbulent flow is performed using a pseudospectral Fourier technique. The governing equations are cast in a form where the important physical variables are the fluid velocity and the natural logarithms of the fluid density and temperature. Bulk viscosity is utilized to model polyatomic gases more accurately and to ensure numerical stability in the presence of strong shocks. Numerical examples include three-dimensional supersonic homogeneous turbulence and two-dimensional shock-turbulence interactions.

Shebalin, John V.↗
DOE OSTI2016

High fidelity simulation and analysis of liquid jet atomization in a gaseous crossflow at intermediate Weber numbers

Recent advances in numerical methods coupled with the substantial enhancements in computing power and the advent of high performance computing have presented first principle, high fidelity simulation as a viable tool in the prediction and analysis of spray atomization processes. The credibility and potential impact of such simulations, however, has been hampered by the relative absence of detailed validation against experimental evidence. The numerical stability and accuracy challenges arising from the need to simulate the high liquid-gas density ratio across the sharp interfaces encountered in these flows are key reasons for this. In this work we challenge this status quo by presenting a numerical model able to deal with these challenges, employing it in simulations of liquid jet in crossflow atomization and performing extensive validation of its results against a carefully executed experiment with detailed measurements in the atomization region. We then proceed to the detailed analysis of the flow physics. The computational model employs the coupled level set and volume of fluid approach to directly capture the spatiotemporal evolution of the liquid-gas interface and the sharp-interface ghost fluid method to stably handle high liquid-air density ratio. Adaptive mesh refinement and Lagrangian droplet models are shown to be viable options for computational cost reduction. Moreover, high performance computing is leveraged to manage the computational cost. The experiment selected for validation eliminates the impact of inlet liquid and gas turbulence and focuses on the impact of the crossflow aerodynamic forces on the atomization physics. Validation is demonstrated by comparing column surface wavelengths, deformation, breakup locations, column trajectories and droplet sizes, velocities, and mass rates for a range of intermediate Weber numbers. Analysis of the physics is performed in terms of the instability and breakup characteristics and the features of downstream flow recirculation, and vortex shedding. Formation of “Λ” shape windward column waves is observed and explained by the combined upward and lateral surface motion. The existence of Rayleigh-Taylor instability as the primary mechanism for the windward column waves is verified for this case by comparing wavelengths from the simulations to those predicted by linear stability analyses. Physical arguments are employed to postulate that the type of instability manifested may be related to conditions such as the gas Weber number and the inlet turbulence level. The decreased column wavelength with increasing Weber number is found to cause enhanced surface stripping and early depletion of liquid core at higher Weber number. A peculiar “three-streak-two-membrane” liquid structure is identified at the lowest Weber number and explained as the consequence of the symmetric recirculation zones behind the jet column. It is found that the vortical flow downstream of the liquid column resembles a von Karman vortex street and that the coupling between the gas flow and droplet transport is weak for the conditions explored.

42 ENGINEERING↗
DOE OSTI2017

Rotation invariants of vector fields from orthogonal moments

Vector field images are a type of new multidimensional data that appear in many engineering areas. Although the vector fields can be visualized as images, they differ from graylevel and color images in several aspects. In order to analyze them, special methods and algorithms must be originally developed or substantially adapted from the traditional image processing area. Here, we propose a method for the description and matching of vector field patterns under an unknown rotation of the field. Rotation of a vector field is so-called total rotation, where the action is applied not only on the spatial coordinates but also on the field values. Invariants of vector fields with respect to total rotation constructed from orthogonal Gaussian–Hermite moments and Zernike moments are introduced. Their numerical stability is shown to be better than that of the invariants published so far. We demonstrate their usefulness in a real world template matching application of rotated vector fields.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Efficient CP Rounding Using Alternating Least Squares with QR Decomposition

The CANDECOMP/PARAFAC (CP) decomposition is widely used for analyzing multidimensional data, and the alternating least squares (CP-ALS) algorithm is a common method for its computation. CP rounding is the problem of computing a lower-rank CP decomposition of an input already in a higher-rank CP format. While the normal equations (NE) approach in CP-ALS is efficient for the CP rounding problem and frequently used, it becomes unstable in the presence of ill-conditioned subproblems. This paper presents a new QR-based CP-ALS method for CP rounding that preserves both numerical stability and computational efficiency. Here, our experiments show that the proposed method offers significant speedup over a previous QR-based approach and the Tensor Toolbox's NE-based implementation, particularly for higher-order tensors. Furthermore, our approach demonstrates a marked reduction in error for ill-conditioned problems, with error reductions several orders of magnitude smaller compared to the NE-based method, while achieving faster convergence and more accurate solutions. By using a more numerically stable approach, we can solve more problems in reduced working precision, which enables further reduction in time to solution.

CANDECOMP/PARAFAC↗