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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
NASA NTRS1989

Navier-Stokes analysis of solid propellant rocket motor internal flows

A multidimensional implicit Navier-Stokes analysis that uses numerical solution of the ensemble-averaged Navier-Stokes equations in a nonorthogonal, body-fitted, cylindrical coordinate system has been applied to the simulation of the steady mean flow in solid propellant rocket motor chambers. The calculation procedure incorporates a two-equation (k-epsilon) turbulence model and utilizes a consistently split, linearized block-implicit algorithm for numerical solution of the governing equations. The code was validated by comparing computed results with the experimental data obtained in cylindrical-port cold-flow tests. The agreement between the computed and experimentally measured mean axial velocities is excellent. The axial location of transition to turbulent flow predicted by the two-equation (k-epsilon) turbulence model used in the computations also agrees well with the experimental data. Computations performed to simulate the axisymmetric flowfield in the vicinity of the aft field joint in the Space Shuttle solid rocket motor using 14,725 grid points show the presence of a region of reversed axial flow near the downstream edge of the slot.

Sabnis, J. S.↗
DOE OSTI2026

ZEUS: An Efficient GPU Optimization Method Integrating PSO, BFGS, and Automatic Differentiation

We introduce a novel, efficient computational method, ZEUS, for numerical optimization, and provide an open-source implementation. It has four key ingredients: (1) particle swarm optimization (PSO), (2) the use of the Broyden-Fletcher-Goldfarb-Shanno (BFGS) method, (3) automatic differentiation (AD), and (4) GPUs. Our approach addresses the computational challenges inherent in high-dimensional, non-convex optimization problems. In the first phase of the algorithm, we get a potentially good set of starting points using PSO. Thereafter, we run BFGS independently in parallel from these starting points. BFGS is one of the best-performing algorithms for numerical optimization. However, it requires the gradient of the function being optimized. ZEUS integrates automatic differentiation into BFGS thus avoiding the need for the user to calculate derivatives explicitly. The use of GPUs allows ZEUS to speed up the calculations substantially. We carry out systematic studies to explore the trade-offs between the number of PSO iterations taken, starting points, and BFGS iteration depth. We show that a handful of iterations of PSO can improve global convergence when combined with BFGS. We also present performance studies using common test functions. The source code can be found at https://github.com/fnal-numerics/global-optimizer-gpu.

Soos, Dominik [Old Dominion U.]↗
DOE OSTI2019

The Bloch equation for spin dynamics in electron storage rings: Computational and theoretical aspects

In this paper, we describe our work on spin polarization in high-energy electron storage rings which we base on the Full Bloch equation (FBE) for the polarization density and which aims towards the [Formula: see text] option of the proposed Future Circular Collider (FCC-ee) and the proposed Circular Electron Positron Collider (CEPC). The FBE takes into account non spin-flip and spin-flip effects due to synchrotron radiation including the spin-diffusion effects and the Sokolov–Ternov effect with its Baier–Katkov generalization as well as the kinetic-polarization effect. This mathematical model is an alternative to the standard mathematical model based on the Derbenev–Kondratenko formulas. For our numerical and analytical studies of the FBE, we develop an approximation to the latter to obtain an effective FBE. This is accomplished by finding a third mathematical model based on a system of stochastic differential equations (SDEs) underlying the FBE and by approximating that system via the method of averaging from perturbative ODE theory. We also give an overview of our algorithm for numerically integrating the effective FBE. This discretizes the phase space using spectral methods and discretizes time via the additive Runge–Kutta (ARK) method which is a high-order semi-implicit method. We also discuss the relevance of the third mathematical model for spin tracking.

Physics↗
NASA NTRS1987

Navier-Stokes analysis of two- and three-dimensional flow field in solid rocket motors with segment joints

A multidimensional implicit Navier-Stokes analysis which uses numerical solution of ensemble-averaged Navier-Stokes equations in a nonorthogonal bodyfitted cylindrical-polar coordinate system has been applied to simulation of the internal flow field in solid-propellant rocket motor chambers with segment joints. The calculation procedure incorporates a two-equation (k-epsilon) turbulence model and utilizes a consistently split, linearized block-implicit algorithm for numerical solution of the governing equations. Computations performed to simulate the axisymmetric flow field in the vicinity of the aft field joint in the Space Shuttle SRB using 14,725 grid points show the presence of a region of reversed axial flow near the downstream edge of the slot. Calculations were also performed for two cases involving asymmetric three-dimensional flow in the vicinity of the aft field joint in the SRB using 721,525 grid points to estimate circumferential velocities and pressure gradients at the joint.

Sabnis, J. S.↗
NASA NTRS1985

Expert systems and their use in augmenting design optimization

The challenging requirements that are evolving for future aircraft demand that each design be optimally integrated, for the penalties imposed by nonoptimal performance are significant. Classic numerical optimization algorithms have been and will continue to be important tools for aircraft designers. These methods are, however, limited to certain categories of aircraft design variables, leaving the remainder to be determined by the user. A method that makes use of knowledge-based expert systems offers the potential for aiding the conceptual design process in a way that is similar to that of numerical optimization, except that it would address discrete, discontinuous, abstract, or any other unoptimized aspect of vehicle design and integration. Other unique capabilities such as automatic discovery and learning in design may also be achievable in the near term. This paper discusses current practice in conceptual aircraft design and knowledge-based systems, and how knowledge-based systems can be used in conceptual design.

Kidwell, G. H.↗
DOE OSTI2022

Differential holography

Differential Holography technology measures the amplitude and/or phase of, e.g., an incident linearly polarized spatially coherent quasi-monochromatic optical field by optically computing the first derivative of the field and linearly mapping it to an irradiance signal detectable by an image sensor. This information recorded on the image sensor is then recovered by a simple algorithm. In some embodiments, an input field is split into two or more beams to independently compute the horizontal and vertical derivatives (using amplitude gradient filters in orthogonal orientations) for detection on one image sensor in separate regions of interest (ROIs) or on multiple image sensors. A third unfiltered beam recorded in a third ROI directly measures amplitude variations in the input field to numerically remove its contribution as noise before recovering the original wavefront using a numerical in algorithm. When combined, the measured amplitude and phase constitute a holographic recording of the incident optical field.

Ravizza, Frank↗
NASA NTRS1981

Numerical simulation of steady supersonic flow

A noniterative, implicit, space-marching, finite-difference algorithm was developed for the steady thin-layer Navier-Stokes equations in conservation-law form. The numerical algorithm is applicable to steady supersonic viscous flow over bodies of arbitrary shape. In addition, the same code can be used to compute supersonic inviscid flow or three-dimensional boundary layers. Computed results from two-dimensional and three-dimensional versions of the numerical algorithm are in good agreement with those obtained from more costly time-marching techniques.

Schiff, L. B.↗
DOE OSTI2024

Advanced fuel fusion, phase space engineering, and structure-preserving geometric algorithms

Non-thermal advanced fuel fusion trades the requirement of a large amount of recirculating tritium in the system for that of large recirculating power. Phase space engineering technologies utilizing externally injected electromagnetic fields can be applied to meet the challenge of maintaining non-thermal particle distributions at a reasonable cost. The physical processes of the phase space engineering are studied from a theoretical and algorithmic perspective. It is emphasized that the operational space of phase space engineering is limited by the underpinning symplectic dynamics of charged particles. The phase space incompressibility according to the Liouville theorem is just one of many constraints, and Gromov's non-squeezing theorem determines the minimum footprint of the charged particles on every conjugate phase space plane. In this sense and level of sophistication, the mathematical abstraction of phase space engineering is symplectic topology. To simulate the processes of phase space engineering, such as the Maxwell demon and electromagnetic energy extraction, and to accurately calculate the minimum footprints of charged particles, recently developed structure-preserving geometric algorithms can be used. The family of algorithms conserves exactly, on discretized spacetime, symplecticity and thus incompressibility, non-squeezability, and symplectic capacities. The algorithms apply to the dynamics of charged particles under the influence of external electromagnetic fields as well as the charged particle–electromagnetic field system governed by the Vlasov–Maxwell equations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Computational projects with the Landau–Zener problem in the quantum mechanics classroom

The Landau–Zener problem, where a minimum energy separation is passed with constant rate in a two-state quantum-mechanical system, is an excellent model quantum system for a computational project. It requires a low-level computational effort, but has a number of complex numerical and algorithmic issues that can be resolved through dedicated work. It can be used to teach computational concepts, such as accuracy, discretization, and extrapolation, and it reinforces quantum concepts of time-evolution via a time-ordered product and of extrapolation to infinite time via time-dependent perturbation theory. Additionally, we discuss the concept of compression algorithms, which are employed in many advanced quantum computing strategies, and easy to illustrate with the Landau–Zener problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Simulation-Based Inference for Neutrino Interaction Model Parameter Tuning

High-energy physics experiments studying neutrinos rely heavily on simulations of their interactions with atomic nuclei. Limitations in the theoretical understanding of these interactions typically necessitate ad hoc tuning of simulation model parameters to data. Traditional tuning methods for neutrino experiments have largely relied on simple algorithms for numerical optimization. While adequate for the modest goals of initial efforts, the complexity of future neutrino tuning campaigns is expected to increase substantially, and new approaches will be needed to make progress. In this paper, we examine the application of simulation-based inference (SBI) to the neutrino interaction model tuning for the first time. Using a previous tuning study performed by the MicroBooNE experiment as a test case, we find that our SBI algorithm can correctly infer the tuned parameter values when confronted with a mock data set generated according to the MicroBooNE procedure. This initial proof-of-principle illustrates a promising new technique for next-generation simulation tuning campaigns for the neutrino experimental community.

Tame-Narvaez, Karla Maria [Fermilab]↗
DOE OSTI2025

Simulation-based inference for neutrino interaction model parameter tuning

High-energy physics experiments studying neutrinos rely heavily on simulations of their interactions with atomic nuclei. Limitations in the theoretical understanding of these interactions typically necessitate ad hoc tuning of simulation model parameters to data. Traditional tuning methods for neutrino experiments have largely relied on simple algorithms for numerical optimization. While adequate for the modest goals of initial efforts, the complexity of future neutrino tuning campaigns is expected to increase substantially, and new approaches will be needed to make progress. In this paper, we examine the application of simulation-based inference (SBI) to the neutrino interaction model tuning for the first time. Using a previous tuning study performed by the MicroBooNE experiment as a test case, we find that our SBI algorithm can correctly infer the tuned parameter values when confronted with a mock data set generated according to the MicroBooNE procedure. This initial proof-of-principle illustrates a promising new technique for next-generation simulation tuning campaigns for the neutrino experimental community.

Tame-Narvaez, Karla [Fermilab] (ORCID:000000022249↗
NASA NTRS2022

The Harmonic Linearized Navier-Stokes Equations for Transition Prediction in Three-Dimensional Flows

The conventional method to predict the onset of laminar-turbulent transition in convectively unstable boundary-layer flows is based on the logarithmic amplification ratio, the so-called N-factor, of the linear instability waves. To calculate the N-factor, the flow variables are decomposed into a laminar basic state solution and the linear disturbances, which are assumed to be harmonic in time. The most commonly used linear stability analysis approaches include the locally parallel linear stability theory (LST) and the non-local, weakly nonparallel parabolized stability equations (PSE). However, these methods do not account for strong streamwise gradients that are encountered in several configurations of interest, as roughness elements, steps, gaps, or corners. To solve the linear evolution of disturbances along such strongly nonparallel regions, the harmonic linearized Navier-Stokes equations (HLNSE) need to be solved. The discretization of the HLNSE for spanwise/azimuthally inhomogeneous laminar basic states yields a linear system of complex arithmetic with a leading dimension of the order of 107 to 108. A combined multithread and multiprocessor algorithm is implemented for the direct solution of such linear system. Results for a supersonic boundary layer over a three-dimensional roughness patch show good agreement with experimental measurements when the evolution of the instability waves over the roughness patch is included via the HLNSE.

Boundary Layer Stability↗
NASA NTRS1987

Parallel Algorithm Solves Coupled Differential Equations

Numerical methods adapted to concurrent processing. Algorithm solves set of coupled partial differential equations by numerical integration. Adapted to run on hypercube computer, algorithm separates problem into smaller problems solved concurrently. Increase in computing speed with concurrent processing over that achievable with conventional sequential processing appreciable, especially for large problems.

Hayashi, A.↗
DOE OSTI2025

Randomized Algorithms for Linear Solvers

Recently, randomized algorithms in numerical linear algebra, specifically those centered around random sketching, have gained traction in primarily theoretical research due to their potential to significantly reduce problem dimensionality at the cost of an O(1) multiplicative distortion factor. It has been assumed that this sketching can be done efficiently, but thorough investigation into how precisely to do it has been neglected. Moreover, the theory-based community has argued for sketching’s ability to reduce computational cost via complexity analysis, but has not researched how it affects the stability of the algorithms. At Sandia, efficient linear solvers that scale well on modern HPC architectures while maintaining stability are imperative for practical applications. In this LDRD, we developed a random sketching strategy that is substantially faster than existing ones, and demonstrate its superior performance in practice on a NVIDIA H100 GPU. Moreover, we show how this can be used to significantly outperform existing linear least squares solvers while improving the solver’s stability as well. Additionally, we demonstrate how this sketching strategy can be used to make a fast, stable QR factorization that can subsequently be used in s-step and block Krylov solvers. Finally, we incorporate a sketching-based block orthogonalization scheme into s-step GMRES, which is stable and faster than existing approaches on the Perlmutter supercomputer.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Robust integration schemes for generalized viscoplasticity with internal-state variables. Part 1: Theoretical developments and applications

This two-part report is concerned with the development of a general framework for the implicit time-stepping integrators for the flow and evolution equations in generalized viscoplastic models. The primary goal is to present a complete theoretical formulation, and to address in detail the algorithmic and numerical analysis aspects involved in its finite element implementation, as well as to critically assess the numerical performance of the developed schemes in a comprehensive set of test cases. On the theoretical side, the general framework is developed on the basis of the unconditionally-stable, backward-Euler difference scheme as a starting point. Its mathematical structure is of sufficient generality to allow a unified treatment of different classes of viscoplastic models with internal variables. In particular, two specific models of this type, which are representative of the present start-of-art in metal viscoplasticity, are considered in applications reported here; i.e., fully associative (GVIPS) and non-associative (NAV) models. The matrix forms developed for both these models are directly applicable for both initially isotropic and anisotropic materials, in general (three-dimensional) situations as well as subspace applications (i.e., plane stress/strain, axisymmetric, generalized plane stress in shells). On the computational side, issues related to efficiency and robustness are emphasized in developing the (local) interative algorithm. In particular, closed-form expressions for residual vectors and (consistent) material tangent stiffness arrays are given explicitly for both GVIPS and NAV models, with their maximum sizes 'optimized' to depend only on the number of independent stress components (but independent of the number of viscoplastic internal state parameters). Significant robustness of the local iterative solution is provided by complementing the basic Newton-Raphson scheme with a line-search strategy for convergence. In the present first part of the report, we focus on the theoretical developments, and discussions of the results of numerical-performance studies using the integration schemes for GVIPS and NAV models.

Saleeb, Atef F.↗
DOE OSTI2022

A Decision-Making Machine Learning Approach in Hermite Spectral Approximations of Partial Differential Equations

The accuracy and effectiveness of Hermite spectral methods for the numerical discretization of partial differential equations on unbounded domains are strongly affected by the amplitude of the Gaussian weight function employed to describe the approximation space. This is particularly true if the problem is under-resolved, i.e., there are no enough degrees of freedom. The issue becomes even more crucial when the equation under study is time-dependent, forcing in this way the choice of Hermite functions where the corresponding weight depends on time. In order to adapt dynamically the approximation space, it is here proposed an automatic decision-making process that relies on machine learning techniques, such as deep neural networks and support vector machines. The algorithm is numerically tested with success on a simple 1D problem, but the main goal is its exportability in the context of more serious applications. Here we also show at the end an application in the framework of plasma physics.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

Numerical simulation of steady supersonic viscous flow

A noniterative, implicit, space-marching, finite-difference algorithm is developed for the steady thin-layer Navier-Stokes equations in conservation-law-form. The numerical algorithm is applicable to steady supersonic viscous flow over bodies of arbitrary shape. In addition, the same code can be used to compute supersonic inviscid flow or three-dimensional boundary layers. Computed results from two-dimensional and three-dimensional versions of the numerical algorithm are in good agreement with those obtained from more costly time-marching techniques.

Schiff, L. B.↗
DOE OSTI2022

Extended Barton–Bandis model for rock joints under cyclic loading: Formulation and implicit algorithm

In this paper, the Barton–Bandis model for rock joints is extended to cyclic loading conditions, without any new material parameter. Also developed herein is an implicit solution algorithm for the extended Barton–Bandis model, which can also be used for the original Barton–Bandis model for which an implicit algorithm has been unavailable. To this end, we first cast the Barton–Bandis model into an incremental elasto-plastic framework, deriving an expression for the elastic shear stiffness being consistent with the original model formulation. We then extend the model formulation to cyclic loading conditions, incorporating the dependence of shear stress and dilation on the joint position and the shearing direction. The extension is achieved by introducing a few state-dependent variables which can be calculated with the existing material parameters. For robust and accurate utilization of the model, we also develop an implicit algorithm based on return mapping, which is unconditionally stable and guarantees the satisfaction of the strength criterion. We verify that the proposed model formulation and algorithm produce virtually the same results as the original Barton–Bandis model under monotonic shearing conditions. Here, we then validate the extended Barton–Bandis model against experimental data on natural rock joints under cycling loading conditions. The present work thus enables the Barton–Bandis model, which has been exceptionally popular in research and practice, to be applicable to a wider range of problems in rock mechanics and rock engineering.

58 GEOSCIENCES↗