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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Accurate real space iterative reconstruction (RESIRE) algorithm for tomography

Tomography has made a revolutionary impact on the physical, biological and medical sciences. The mathematical foundation of tomography is to reconstruct a three-dimensional (3D) object from a set of two-dimensional (2D) projections. As the number of projections that can be measured from a sample is usually limited by the tolerable radiation dose and/or the geometric constraint on the tilt range, a main challenge in tomography is to achieve the best possible 3D reconstruction from a limited number of projections with noise. Over the years, a number of tomographic reconstruction methods have been developed including direct inversion, real-space, and Fourier-based iterative algorithms. Here, we report the development of a real-space iterative reconstruction (RESIRE) algorithm for accurate tomographic reconstruction. RESIRE iterates between the update of a reconstructed 3D object and the measured projections using a forward and back projection step. The forward projection step is implemented by the Fourier slice theorem or the Radon transform, and the back projection step by a linear transformation. Our numerical and experimental results demonstrate that RESIRE performs more accurate 3D reconstructions than other existing tomographic algorithms, when there are a limited number of projections with noise. Furthermore, RESIRE can be used to reconstruct the 3D structure of extended objects as demonstrated by the determination of the 3D atomic structure of an amorphous Ta thin film. We expect that RESIRE can be widely employed in the tomography applications in different fields. Finally, to make the method accessible to the general user community, the MATLAB source code of RESIRE and all the simulated and experimental data are available at https://zenodo.org/record/7273314.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1978

Navier-Stokes solutions using Stetter's method

Compressible Navier-Stokes equations for quasi-one-dimensional flow in a converging-diverging nozzle have been solved using Stetter's three-step predictor-corrector technique. Particular emphasis is given to the minimum iterative step feature for steady-state solutions. It is found that for the nonviscous-dominated case, Stetter's method attains the steady-state solution in the fewest steps when compared to four other currently used techniques.

Graves, R. A., Jr.↗
DOE OSTI2024

One-shot omnidirectional pressure integration through matrix inversion

In this work, we present a method to perform 2D and 3D omnidirectional pressure integration from velocity measurements with a single-iteration matrix inversion approach. This work builds upon our previous work, where the rotating parallel ray approach was extended to the limit of infinite rays by taking continuous projection integrals of the ray paths and recasting the problem as an iterative matrix inversion problem. This iterative matrix equation is now 'fast-forwarded' to the 'infinity' iteration, leading to a different matrix equation that can be solved in a single step, thereby presenting the same computational complexity as the Poisson equation. We observe computational speedups of ~10 6 when compared to brute-force omnidirectional integration methods, enabling the treatment of grids of ~10 9 points and potentially even larger in a desktop setup at the time of publication. Further examination of the boundary conditions of our one-shot method shows that omnidirectional pressure integration implements a boundary condition where the boundary points are treated as interior points to the extent that information is available. Finally, we show how the method can be extended from the regular grids typical of particle image velocimetry to the unstructured meshes characteristic of particle tracking velocimetry data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

A look-ahead variant of the Lanczos algorithm and its application to the quasi-minimal residual method for non-Hermitian linear systems

The Lanczos algorithm can be used both for eigenvalue problems and to solve linear systems. However, when applied to non-Hermitian matrices, the classical Lanczos algorithm is susceptible to breakdowns and potential instabilities. In addition, the biconjugate gradient (BCG) algorithm, which is the natural generalization of the conjugate gradient algorithm to non-Hermitian linear systems, has a second source of breakdowns, independent of the Lanczos breakdowns. Here, we present two new results. We propose an implementation of a look-ahead variant of the Lanczos algorithm which overcomes the breakdowns by skipping over those steps where a breakdown or a near-breakdown would occur. The new algorithm can handle look-ahead steps of any length and requires the same number of matrix-vector products and inner products per step as the classical Lanczos algorithm without look-ahead. Based on the proposed look-ahead Lanczos algorithm, we then present a novel BCG-like approach, the quasi-minimal residual (QMR) method, which avoids the second source of breakdowns in the BCG algorithm. We present details of the new method and discuss some of its properties. In particular, we discuss the relationship between QMR and BCG, showing how one can recover the BCG iterates, when they exist, from the QMR iterates. We also present convergence results for QMR, showing the connection between QMR and the generalized minimal residual (GMRES) algorithm, the optimal method in this class of methods. Finally, we give some numerical examples, both for eigenvalue computations and for non-Hermitian linear systems.

Nachtigal, Noel M.↗
NASA NTRS2001

Determining the Mass Density Along Magnetic Field Lines from Toroida Eigenfrequencies

Toroidal eigenfrequencies can be used to remotely sense the equatorial mass density rho(sub eq) and the density dependence along a magnetic field line. Here we present improvements to the method of Schulz [1996], which allows rho(sub eq) and the power law index alpha (for mass density along a field line proportional to R(sup -alpha), where R is the radial distance from the center of the Earth) to be determined from the y intercept and slope of a plot of toroidal frequency versus toroidal harmonic number n. Our modifications include a model form for eigenfrequencies with a fractional precision of 0.0005 for -6 less than or = alpha less than or = 6 and 2 less than or = L less than or = 8 (accuracy is doubtful beyond L = 5) and an iterative procedure for getting more accurate results than those found using Schulz's method. In addition, we do an analysis of the effect of random measurement errors. Observed frequencies need to be accurate to approx. 6% (3%) of the fundamental frequency in order to determine rho(sub eq) (alpha) to a precision of 30% (unity). We then apply our method to data generated using the Global Core Plasma Model for plasmaspheric mass density; our analysis demonstrates clearly bow the alpha index represents the mass density dependence on the outer part of the field line (R/(LR(sub E)) greater than or approx. 2/3).

Denton, R.↗
NASA NTRS1984

The core-saturation method with partial redistribution

The core-saturation technique for calculating the radiation field in spectral lines (Rybicki, 1971) is extended to cases where partial redistribution is important. The frequency space is discretized and a general vector equation relating the source function S to the mean intensities is derived. The components of S are then used in a lambda iteration to determine the specific intensities. Numerical tests show that the efficiency and accuracy of this method are maintained.

Stenholm, L. G.↗
NASA NTRS1990

Propeller-wing interaction using a frequency domain panel method

The unsteady aerodynamic coupling between a propeller and a wing is analyzed using linear compressible aerodynamic theory. The periodic loads are decomposed into harmonics, and the harmonic amplitudes are found iteratively. Each stage of the iteration involves the solution of an isolated propeller or wing problem; the interaction is done through the Fourier transform of the induced velocity field. The method was validated by comparing the predicted velocity field about an isolated propeller with detailed laser Doppler velocimeter measurements and by comparison with mean loads measured in a wing-propeller experiment. Comparisons have also been made between the fluctuating loads predicted by the present method and a quasisteady vortex lattice scheme.

Williams, Marc H.↗
DOE OSTI2023

Design, Fabrication, and Screening of Environmental‐Thermal Barrier Coatings Prepared by Ultrafast High‐Temperature Sintering

Abstract The demand for more efficient gas turbines relies heavily on the development of new environmental‐thermal barrier coatings (ETBCs). However, there is still uncertainty about which alloys and composites will be used for the next generation of turbine blades, as well as the most promising coating materials. Herein, an ETBCs development strategy is presented by integrating the coating design, synthesis, and screening using an ultrafast high temperature sintering (UHS) technique to accelerate coating improvements. The initial basis for composition selection is their thermal expansion mismatch with the substrate alloys; for which a temperature‐dependent coefficient of thermal expansion database is created. By combining tape casting method with the UHS technique a high‐throughput synthesis of single and multi‐layer coatings are realized with different compositions, layer stacking sequences, and layer thicknesses. To evaluate the coatings, thermal cycling tests from room temperature to 1300 °C are conducted. The approach enabled coatings on objects with complex geometries, multi‐layer ETBCs, and porosity tailoring by using staged UHS that runs with different temperatures and durations. The fast iteration strategy is more cost‐effective for the screening of ETBCs compared to conventional methods and greater throughput which can be further extended for rapid optimization of other materials systems.

Xie, Hua↗
NASA NTRS1990

Counter-rotating propellant analysis using a frequency domain panel method

The unsteady aerodynamic coupling between the front and rear rotors in a counter-rotating propeller system is analyzed using a frequency-domain panel method based on linear compressible aerodynamic theory. The periodic loads are decomposed into harmonics, and the harmonic amplitudes are found iteratively. Each stage of the interation involves the solution of an isolated propeller problem, the interaction being done through the Fourier transform of the induced velocity field. The method was validated by comparing mean performance parameters with measured data and by comparing the predicted velocity field with detailed laser Doppler velocimeter measurements. Comparisons have also been made between the fluctuating loads predicted by the present method and a time-domain panel method.

Williams, Marc H.↗
NASA NTRS1995

Optimization methods, flux conserving methods for steady state Navier-Stokes equation

Navier-Stokes equation as discretized by new flux conserving method proposed by Chang and Scott results in the system: vector F(vector x) = 0, where F is a vector valued function. The Optimization method we use is based on Quasi-Newton methods: given a nonlinear function vector F(vector x) = 0, we solve, Delta(vector x) = -BF(vector x), where Delta(vector x) is the correction term and B is the inverse Jacobian of F(x). Then, iteratively, vector(x(sub (i+1))) = vector(x (sub i)) + alpha.Delta(vector x(sub i)), where alpha is a line search correction term determined by a line search routine. We use the BFCG's update the Jacobian matrix B(sub k) at each iteration. It is well known that B(sub k) approaches B(*) at the solution X(*). This algorithm has several advantages over the Newton-Raphson method. For example, we do not need to calculate the Jacobian matrix at each iteration which is computationally very expensive.

Adeyeye, John↗
NASA NTRS1985

A parabolized Navier-Stokes algorithm for separated supersonic internal flows

A stable global-iteration procedure is applied to a fully implicit noniterative parabolized Navier-Stokes algorithm to improve the solutions of the single-sweep method as well as to resolve small separation bubbles due to shock-wave/boundary-layer interactions. A modified form of the FLARE approximation is employed in the separated regions and some requirements for stable iterations are discussed. The results of the global-iteration scheme for two test cases of supersonic internal flows are compared against the results of the single-sweep method as well as the results of the full Navier-Stokes solver.

Chitsomboon, T.↗
DOE OSTI2025

A Fundamentally New Coupled Approach to Contact Mechanics via the Dirichlet‐Neumann Schwarz Alternating Method

Contact phenomena are crucial for understanding the behavior of mechanical systems. However, existing computational approaches for simulating mechanical contact often face numerical challenges, such as inaccurate physical predictions, energy conservation errors, and unwanted oscillations. Here, we introduce an alternative technique for simulating dynamic contact based on the non‐overlapping Schwarz alternating method, originally developed for domain decomposition. In multibody contact scenarios, this method treats each body as a separate, non‐overlapping domain and prevents interpenetration using an alternating Dirichlet–Neumann iterative process. This approach has a strong theoretical foundation, eliminates the need for contact constraints, and offers flexibility, making it ideal for multiscale and multiphysics applications. We conducted a numerical comparison between the Schwarz method and traditional methods, such as the Lagrange multiplier and penalty methods, focusing on a benchmark impact problem. Our results indicate that the Schwarz alternating method outperforms traditional methods in several key areas: it provides more accurate predictions for various measurable quantities and demonstrates exceptional energy conservation capabilities. To address unwanted oscillations in contact velocities and forces, we explored various algorithms and stabilization techniques, ultimately opting for the naïve‐stabilized Newmark scheme for its simplicity and effectiveness. Additionally, we validated the efficiency of the Schwarz method in a three‐dimensional impact problem, highlighting its inherent capacity to accommodate different mesh topologies, time‐integration schemes, and time steps for each interacting body.

Schwarz alternating method↗
NASA NTRS1983

Simplified method for nonlinear structural analysis

A simplified inelastic analysis computer program was developed for predicting the stress-strain history of a thermomechanically cycled structure from an elastic solution. The program uses an iterative and incremental procedure to estimate the plastic strains from the material stress-strain properties and a simulated plasticity hardening model. The simplified method was exercised on a number of problems involving uniaxial and multiaxial loading, isothermal and nonisothermal conditions, and different materials and plasticity models. Good agreement was found between these analytical results and nonlinear finite element solutions for these problems. The simplified analysis program used less than 1 percent of the CPU time required for a nonlinear finite element analysis.

Kaufman, A.↗
DOE OSTI2023

Exponential Runge-Kutta Parareal for non-diffusive equations

Parareal is a well-known parallel-in-time algorithm that combines a coarse and fine propagator within a parallel iteration. It allows for large-scale parallelism that leads to significantly reduced computational time compared to serial time-stepping methods. However, like many parallel-in-time methods it can fail to converge when applied to non-diffusive equations such as hyperbolic systems or dispersive nonlinear wave equations. Here, this paper explores the use of exponential integrators within the Parareal iteration. Exponential integrators are particularly interesting candidates for Parareal because of their ability to resolve fast-moving waves, even at the large stepsizes used by coarse propagators. This work begins with an introduction to exponential Parareal integrators followed by several motivating numerical experiments involving the nonlinear Schrödinger equation. These experiments are then analyzed using linear analysis that approximates the stability and convergence properties of the exponential Parareal iteration on nonlinear problems. The paper concludes with two additional numerical experiments involving the dispersive Kadomtsev-Petviashvili equation and the hyperbolic Vlasov-Poisson equation. These experiments demonstrate that exponential Parareal methods offer improved time-to-solution compared to serial exponential integrators when solving certain non-diffusive equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

SODAs: sparse optimization for the discovery of differential and algebraic equations

Differential-algebraic equations (DAEs) integrate ordinary differential equations (ODEs) with algebraic constraints, providing a fundamental framework for developing models of dynamical systems characterized by time-scale separation, conservation laws and physical constraints. While sparse optimization has revolutionized model development by allowing data-driven discovery of parsimonious models from a library of possible equations, existing approaches for dynamical systems assume DAEs can be reduced to ODEs by eliminating variables before model discovery. This assumption limits the applicability of such methods for DAE systems with unknown constraints and time scales. We introduce sparse optimization for differential-algebraic systems (SODAs), a data-driven method for the identification of DAEs in their explicit form. By discovering the algebraic and dynamic components sequentially without prior identification of the algebraic variables, this approach leads to a sequence of convex optimization problems. It has the advantage of discovering interpretable models that preserve the structure of the underlying physical system. To this end, SODAs improves since SODAs is singular numerical stability when handling high correlations between library terms, caused by near-perfect algebraic relationships, by iteratively refining the conditioning of the candidate library. We demonstrate the performance of our method on biological, mechanical and electrical systems, showcasing its robustness to noise in both simulated time series and real-time experimental data.

DAE↗
DOE OSTI2024

Fully quantum algorithm for mesoscale fluid simulations with application to partial differential equations

Fluid flow simulations marshal our most powerful computational resources. In many cases, even this is not enough. Quantum computers provide an opportunity to speed up traditional algorithms for flow simulations. We show that lattice-based mesoscale numerical methods can be executed as efficient quantum algorithms due to their statistical features. This approach revises a quantum algorithm for lattice gas automata to reduce classical computations and state preparation at every time step. For this, the algorithm approximates the qubit relative phases and subtracts them at the end of each time step. Phases are evaluated using the iterative phase estimation algorithm and subtracted using single-qubit rotation phase gates. Further, this method optimizes the quantum resource required and makes it more appropriate for near-term quantum hardware. We also demonstrate how the checkerboard deficiency that the D1Q2 scheme presents can be resolved using the D1Q3 scheme. The algorithm is validated by simulating two canonical partial differential equations: the diffusion and Burgers' equations on different quantum simulators. We find good agreement between quantum simulations and classical solutions for the presented algorithm.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

Interactive method for computation of viscous flow with recirculation

An interactive method is proposed for the solution of two-dimensional, laminar flow fields with identifiable regions of recirculation, such as the shear-layer-driven cavity flow. The method treats the flow field as composed of two regions, with an appropriate mathematical model adopted for each region. The shear layer is computed by the compressible boundary layer equations, and the slowly recirculating flow by the incompressible Navier-Stokes equations. The flow field is solved iteratively by matching the local solutions in the two regions. For this purpose a new matching method utilizing an overlap between the two computational regions is developed, and shown to be most satisfactory. Matching of the two velocity components, as well as the change in velocity with respect to depth is amply accomplished using the present approach, and the stagnation points corresponding to separation and reattachment of the dividing streamline are computed as part of the interactive solution. The interactive method is applied to the test problem of a shear layer driven cavity. The computational results are used to show the validity and applicability of the present approach.

Brandeis, J.↗
DOE OSTI2021

DART-PFLOTRAN: An ensemble-based data assimilation system for estimating subsurface flow and transport model parameters

Ensemble-based Data Assimilation (EDA), based on the Monte Carlo approach, has been effectively applied to estimate model parameters through inverse modeling in subsurface flow and transport problems. However, implementation of EDA approach involves a complicated workflow that include setting up and executing ensemble forward model simulations, processing observations and model simulation results for parameter updates, and repeat for sequential or iterative EDA. To facilitate the management of such workflow and lower the barriers for adopting EDA-based parameter estimation in subsurface science, we develop a generic software frame-work linking the Data Assimilation Research Testbed (DART) with a massively parallel subsurface FLOw and TRANsport code PFLOTRAN. The new DART-PFLOTRAN leverages both the core data assimilation engines in DART and the computational power afforded by PFLOTRAN. In addition to the standard smoother and filtering options, DART-PFLOTRAN enables an iterative EDA workflow based on the Ensemble Smoother for Multiple Data Assimilation method (ES-MDA) to improve estimation accuracy for nonlinear forward problems. Here, we verify the implementation of ES-MDA in DART-PFLOTRAN using two synthetic cases designed to estimate static permeability and dynamic exchange fluxes across the riverbed, respectively, from continuous temperature measurements made across a depth profile. One-dimensional hydro-thermal simulations are performed in both cases to relate temperature responses with the parameters of interest. In the case of estimating dynamic parameters, we demonstrate the flexibility of DART-PFLOTRAN in automating sequential ES-MDA workflow, which will significantly reduce the time researchers spend on managing complex workflows in similar applications. Both studies yield accurate estimations of the parameters compared to their synthetic truth, while ES-MDA leads to more accurate estimation when a high level of nonlinearity exist between observed responses and unknown parameters. With a code base in Python and Fortran, DART-PFLOTRAN paves the way for applications in large-scale subsurface inverse modeling by automating the complex workflow of sequential ES-MDA that can be executed on various computing platforms.

97 MATHEMATICS AND COMPUTING↗