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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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85 records · Page 5

All sources NASA NTRS DOE OSTI

NASA NTRS1992

A transient FETI methodology for large-scale parallel implicit computations in structural mechanics

Explicit codes are often used to simulate the nonlinear dynamics of large-scale structural systems, even for low frequency response, because the storage and CPU requirements entailed by the repeated factorizations traditionally found in implicit codes rapidly overwhelm the available computing resources. With the advent of parallel processing, this trend is accelerating because explicit schemes are also easier to parallelize than implicit ones. However, the time step restriction imposed by the Courant stability condition on all explicit schemes cannot yet -- and perhaps will never -- be offset by the speed of parallel hardware. Therefore, it is essential to develop efficient and robust alternatives to direct methods that are also amenable to massively parallel processing because implicit codes using unconditionally stable time-integration algorithms are computationally more efficient when simulating low-frequency dynamics. Here we present a domain decomposition method for implicit schemes that requires significantly less storage than factorization algorithms, that is several times faster than other popular direct and iterative methods, that can be easily implemented on both shared and local memory parallel processors, and that is both computationally and communication-wise efficient. The proposed transient domain decomposition method is an extension of the method of Finite Element Tearing and Interconnecting (FETI) developed by Farhat and Roux for the solution of static problems. Serial and parallel performance results on the CRAY Y-MP/8 and the iPSC-860/128 systems are reported and analyzed for realistic structural dynamics problems. These results establish the superiority of the FETI method over both the serial/parallel conjugate gradient algorithm with diagonal scaling and the serial/parallel direct method, and contrast the computational power of the iPSC-860/128 parallel processor with that of the CRAY Y-MP/8 system.

Farhat, Charbel↗

NASA NTRS1996

A Least-Squares Finite Element Method for Electromagnetic Scattering Problems

The least-squares finite element method (LSFEM) is applied to electromagnetic scattering and radar cross section (RCS) calculations. In contrast to most existing numerical approaches, in which divergence-free constraints are omitted, the LSFF-M directly incorporates two divergence equations in the discretization process. The importance of including the divergence equations is demonstrated by showing that otherwise spurious solutions with large divergence occur near the scatterers. The LSFEM is based on unstructured grids and possesses full flexibility in handling complex geometry and local refinement Moreover, the LSFEM does not require any special handling, such as upwinding, staggered grids, artificial dissipation, flux-differencing, etc. Implicit time discretization is used and the scheme is unconditionally stable. By using a matrix-free iterative method, the computational cost and memory requirement for the present scheme is competitive with other approaches. The accuracy of the LSFEM is verified by several benchmark test problems.

Wu, Jie↗

NASA NTRS1997

Massively Parallel and Scalable Implicit Time Integration Algorithms for Structural Dynamics

Farhat, Charbel↗

NASA NTRS1982

A Numerical Method for Solving the Equations of Compressible Viscous Flow

Although much progress has already been made In solving problems in aerodynamic design, many new developments are still needed before the equations for unsteady compressible viscous flow can be solved routinely. This paper describes one such development. A new method for solving these equations has been devised that 1) is second-order accurate in space and time, 2) is unconditionally stable, 3) preserves conservation form, 4) requires no block or scalar tridiagonal inversions, 5) is simple and straightforward to program (estimated 10% modification for the update of many existing programs), 6) is more efficient than present methods, and 7) should easily adapt to current and future computer architectures. Computational results for laminar and turbulent flows at Reynolds numbers from 3 x 10(exp 5) to 3 x 10(exp 7) and at CFL numbers as high as 10(exp 3) are compared with theory and experiment.

MacCormack, R. W.↗

NASA NTRS2004

Intelligent, Robust Control of Deteriorated Turbofan Engines via Linear Parameter Varying Quadratic Lyapunov Function Design

A method for accommodating engine deterioration via a scheduled Linear Parameter Varying Quadratic Lyapunov Function (LPVQLF)-Based controller is presented. The LPVQLF design methodology provides a means for developing unconditionally stable, robust control of Linear Parameter Varying (LPV) systems. The controller is scheduled on the Engine Deterioration Index, a function of estimated parameters that relate to engine health, and is computed using a multilayer feedforward neural network. Acceptable thrust response and tight control of exhaust gas temperature (EGT) is accomplished by adjusting the performance weights on these parameters for different levels of engine degradation. Nonlinear simulations demonstrate that the controller achieves specified performance objectives while being robust to engine deterioration as well as engine-to-engine variations.

Turso, James A.↗

NASA NTRS2011

Ultra-Low-Dropout Linear Regulator

A radiation-tolerant, ultra-low-dropout linear regulator can operate between -150 and 150 C. Prototype components were demonstrated to be performing well after a total ionizing dose of 1 Mrad (Si). Unlike existing components, the linear regulator developed during this activity is unconditionally stable over all operating regimes without the need for an external compensation capacitor. The absence of an external capacitor reduces overall system mass/volume, increases reliability, and lowers cost. Linear regulators generate a precisely controlled voltage for electronic circuits regardless of fluctuations in the load current that the circuit draws from the regulator.

Thornton, Trevor↗

NASA NTRS1986

On the boundary treatment in spectral methods for hyperbolic systems

Spectral methods were successfully applied to the simulation of slow transients in gas transportation networks. Implicit time advancing techniques are naturally suggested by the nature of the problem. The correct treatment of the boundary conditions are clarified in order to avoid any stability restriction originated by the boundaries. The Beam and Warming and the Lerat schemes are unconditionally linearly stable when used with a Chebyshev pseudospectral method. Engineering accuracy for a gas transportation problem is achieved at Courant numbers up to 100.

Canuto, C.↗

NASA NTRS1987

On the boundary treatment in spectral methods for hyperbolic systems

Spectral methods were successfully applied to the simulation of slow transients in gas transportation networks. Implicit time advancing techniques are naturally suggested by the nature of the problem. The correct treatment of the boundary conditions is clarified in order to avoid any stability restriction originated by the boundaries. The Beam and Warming and the Lerat schemes are unconditionally linearly stable when used with a Chebyshev pseudospectral method. Engineering accuracy for a gas transportation problem is achieved at Courant numbers up to 100.

Canuto, Claudio↗

NASA NTRS1975

Inverse solutions for laminar boundary-layer flows with separation and reattachment

Numerical solutions of the laminar, incompressible boundary layer equations are presented for flows involving separation and reattachment. Regular solutions are obtained with an inverse approach in which either the displacement thickness or the skin friction is specified; the pressure is deduced from the solution. A vorticity-stream-function formulation of the boundary layer equations is used to eliminate the unknown pressure. Solutions of the resulting finite difference equations, in which the flow direction is taken into account, are obtained by several global iteration schemes which are stable and have unconditional diagonal dominance. Results are compared with Klineberg and Steger's separated boundary layer calculations, and with Briley's solution of Navier-Stokes equations for a separated region. In addition, an approximate technique is presented in which the streamwise convection of vorticity is set equal to zero in the reversed flow region; such a technique results in a quick forward marching procedure for separated flows.

Carter, J. E.↗

NASA NTRS1975

Forward marching procedure for separated boundary-layer flows

A forward-marching procedure for separated boundary-layer flows which permits the rapid and accurate solution of flows of limited extent is presented. The streamwise convection of vorticity in the reversed flow region is neglected, and this approximation is incorporated into a previously developed (Carter, 1974) inverse boundary-layer procedure. The equations are solved by the Crank-Nicolson finite-difference scheme in which column iteration is carried out at each streamwise station. Instabilities encountered in the column iterations are removed by introducing timelike terms in the finite-difference equations. This provides both unconditional diagonal dominance and a column iterative scheme, found to be stable using the von Neumann stability analysis.

Carter, J. E.↗

NASA NTRS1992

The relationship between pressure-based and density-based algorithms

The PISO, pressure-based algorithm, is compared with implicit time-marching systems to ascertain their similarities and differences. Both methods are expressed in vector form for comparison purposes. The vector form of the PISO method is triangular, allowing an uncoupled solution procedure, while the Euler implicit method requires the simultaneous solution of all equations. Upwind differencing is performed according to the direction of the eigenvalues in both systems, but this is the particle velocity in the PISO method and the acoustic velocity in the Euler method. Vector stability calculations show that the PISO method is conditionally stable depending on the time step, but that it provides adequate damping at small time steps to enable good convergence. Unconditional stability can be provided by retaining the energy coupling terms in the time derivative. Transforming the Euler implicit equations to the PISO variables along with a modification of the time derivatives gives the density-based method the same amplification factors at low speeds as the pressure-based method without affecting their behavior at high speeds.

Merkle, Charles L.↗

DOE OSTI2024

Geometry-complete diffusion for 3D molecule generation and optimization

Abstract Generative deep learning methods have recently been proposed for generating 3D molecules using equivariant graph neural networks (GNNs) within a denoising diffusion framework. However, such methods are unable to learn important geometric properties of 3D molecules, as they adopt molecule-agnostic and non-geometric GNNs as their 3D graph denoising networks, which notably hinders their ability to generate valid large 3D molecules. In this work, we address these gaps by introducing the Geometry-Complete Diffusion Model (GCDM) for 3D molecule generation, which outperforms existing 3D molecular diffusion models by significant margins across conditional and unconditional settings for the QM9 dataset and the larger GEOM-Drugs dataset, respectively. Importantly, we demonstrate that GCDM’s generative denoising process enables the model to generate a significant proportion of valid and energetically-stable large molecules at the scale of GEOM-Drugs, whereas previous methods fail to do so with the features they learn. Additionally, we show that extensions of GCDM can not only effectively design 3D molecules for specific protein pockets but can be repurposed to consistently optimize the geometry and chemical composition of existing 3D molecules for molecular stability and property specificity, demonstrating new versatility of molecular diffusion models. Code and data are freely available on GitHub .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A review of high order strong stability preserving two-derivative explicit, implicit, and IMEX methods

High order strong stability preserving time discretizations ensure the nonlinear non-inner-product strong stability properties of spatial discretizations suited for the stable simulation of hyperbolic PDEs in a wide variety of application areas including fluid dynamics, magnetohydrodynamics, semiconductor devices, electromagnetics, and astrophysics. Over the past decade multiderivative time-stepping have been increasingly used for the time-evolution hyperbolic PDEs, so that the strong stability properties of these methods have become important. In this work we review sufficient conditions for a two-derivative multistage method to preserve the strong stability properties of spatial discretizations in a forward Euler and different conditions on the second derivative. In particular we present the strong stability preserving theory for explicit and implicit two-derivative Runge–Kutta schemes, including a special condition on the second derivative under which these implicit methods may be unconditionally strong stability preserving. This special condition is natural for the stiff component of wide range of plasma physics problems, and can be useful in the context of strong stability preserving implicit-explicit multi-derivative Runge–Kutta schemes, where the time-step restriction is then independent of the stiff term. Lastly, we present the strong stability preserving theory for implicit-explicit multi-derivative general linear methods, and some novel second and third order methods where the time-step restriction is independent of the stiff term.

97 MATHEMATICS AND COMPUTING↗