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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 487 records · Page 27

Hybrid equations of motion for flexible multibody systems using quasi-coordinates

A variety of engineering systems, such as automobiles, aircraft, rotorcraft, robots, spacecraft, etc., can be modeled as flexible multibody systems. The individual flexible bodies are in general characterized by distributed parameters. In most earlier investigations they were approximated by some spatial discretization procedure, such as the classical Rayleigh-Ritz method or the finite element method. This paper presents a mathematical formulation for distributed-parameter multibody systems consisting of a set of hybrid (ordinary and partial) differential equations of motion in terms of quasi-coordinates. Moreover, the equations for the elastic motions include rotatory inertia and shear deformation effects. The hybrid set is cast in state form, thus making it suitable for control design.

Meirovitch, L.↗

Toward an In-Depth Material Model for Cermet Nuclear Thermal Rocket Fuel Elements

The development and qualification of nuclear thermal propulsion (NTP) fuel element technologies would be aided by an in-depth model of material response and failure modes at operating conditions. Integrated computational materials engineering techniques have the potential to provide such a model, as demonstrated here through three case studies focused on a tungsten-uranium mononitride cermet fuel. The first case focuses on the erosion of tungsten (W, also named wolfram), a nominal coating/cladding material, in hot hydrogen. Ab initio techniques are used to calculate erosion rates and thermal expansion at NTP operating conditions. The second focuses on the stability of uranium mononitride (UN) fuels at high temperature and in the presence of hydrogen. Phase diagram techniques reveal potential instabilities and decomposition pathways at high hydrogen concentrations. The third focuses on using microstructure information to predict high temperature mechanical response and failure of tungsten, used in refractory cermet materials. Combined finite element and discrete dislocation dynamics techniques provide mechanical properties in agreement with experimental methods. The integration of these techniques for an all-encompassing material model is discussed.

cermet↗

Development of an integrated BEM approach for hot fluid structure interaction

A comprehensive boundary element method is presented for transient thermoelastic analysis of hot section Earth-to-Orbit engine components. This time-domain formulation requires discretization of only the surface of the component, and thus provides an attractive alternative to finite element analysis for this class of problems. In addition, steep thermal gradients, which often occur near the surface, can be captured more readily since with a boundary element approach there are no shape functions to constrain the solution in the direction normal to the surface. For example, the circular disc analysis indicates the high level of accuracy that can be obtained. In fact, on the basis of reduced modeling effort and improved accuracy, it appears that the present boundary element method should be the preferred approach for general problems of transient thermoelasticity.

Dargush, G. F.↗

On the computational solution of vector-density based continuum dislocation dynamics models: A comparison of two plastic distortion and stress update algorithms

Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport gives rise to the evolution of plastic distortion (strain), while the evolution of the latter fixes the stress from which the dislocation velocity field is found via a mobility law. Earlier solutions of these equations employed a staggered solution scheme for the two sets of equations in which the plastic distortion was updated via time integration of its rate, as found from Orowan's law. In this work, we show that such a direct time integration scheme can suffer from accumulation of numerical errors. We introduce an alternative scheme based on field dislocation mechanics that ensures consistency between the plastic distortion and the dislocation content in the crystal. The new scheme is based on calculating the compatible and incompatible parts of the plastic distortion separately, and the incompatible part is calculated from the current dislocation density field. Stress field and dislocation transport calculations were implemented within a finite element based discretization of the governing equations, with the crystal mechanics part solved by a conventional Galerkin method and the dislocation transport equations by the least squares method. A simple test was first performed to show the accuracy of the two schemes for updating the plastic distortion, which shows that the solution method based on field dislocation mechanics is more accurate. This method then was used to simulate an austenitic steel crystal under uniaxial loading and multiple slip conditions. By considering dislocation interactions caused by junctions, a hardening rate similar to discrete dislocation dynamics simulation results was obtained. Finally, the simulations show that dislocations exhibit some self-organized structures as the strain is increased.

36 MATERIALS SCIENCE↗

A fast matrix-free approach to the high-order control volume finite element method with application to low-Mach flow

Here, a fast matrix-free formulation of the control volume finite element method is presented, requiring much less memory and computational work than previous efforts. The method is implemented and evaluated as a solver for low-Mach flow, including the evaluation of a preconditioning strategy for the pressure Poisson equation. The efficiency and scaling with polynomial order is evaluated on simple turbulent flows of interest, with appropriate solution quality metrics, and compared with a reference node-centered finite volume discretization. For a turbulent channel flow test, we show improvement in computational work for a given accuracy with the high-order scheme. The performance on a GPU accelerated platform is also investigated, with benefit shown for the matrix-free discretization.

42 ENGINEERING↗

A variational method for finite element stress recovery and error estimation

A variational method for obtaining smoothed stresses from a finite element derived nonsmooth stress field is presented. The method is based on minimizing a functional involving discrete least-squares error plus a penalty constraint that ensures smoothness of the stress field. An equivalent accuracy criterion is developed for the smoothing analysis which results in a C sup 1-continuous smoothed stress field possessing the same order of accuracy as that found at the superconvergent optimal stress points of the original finite element analysis. Application of the smoothing analysis to residual error estimation is also demonstrated.

Tessler, A.↗

End-to-end GPU acceleration of low-order-refined preconditioning for high-order finite element discretizations

In this article, we present algorithms and implementations for the end-to-end GPU acceleration of matrix-free low-order-refined preconditioning of high-order finite element problems. The methods described here allow for the construction of effective preconditioners for high-order problems with optimal memory usage and computational complexity. The preconditioners are based on the construction of a spectrally equivalent low-order discretization on a refined mesh, which is then amenable to, for example, algebraic multigrid preconditioning. The constants of equivalence are independent of mesh size and polynomial degree. For vector finite element problems in H(curl) and H(div) (e.g., for electromagnetic or radiation diffusion problems), a specially constructed interpolation–histopolation basis is used to ensure fast convergence. Detailed performance studies are carried out to analyze the efficiency of the GPU algorithms. The kernel throughput of each of the main algorithmic components is measured, and the strong and weak parallel scalability of the methods is demonstrated. The different relative weighting and significance of the algorithmic components on GPUs and CPUs is discussed. Results on problems involving adaptively refined nonconforming meshes are shown, and the use of the preconditioners on a large-scale magnetic diffusion problem using all spaces of the finite element de Rham complex is illustrated.

97 MATHEMATICS AND COMPUTING↗

Sampling Versus Filtering in Large-Eddy Simulations

A LES formalism in which the filter operator is replaced by a sampling operator is proposed. The unknown quantities that appear in the LES equations originate only from inadequate resolution (Discretization errors). The resulting viewpoint seems to make a link between finite difference approaches and finite element methods. Sampling operators are shown to commute with nonlinearities and to be purely projective. Moreover, their use allows an unambiguous definition of the LES numerical grid. The price to pay is that sampling never commutes with spatial derivatives and the commutation errors must be modeled. It is shown that models for the discretization errors may be treated using the dynamic procedure. Preliminary results, using the Smagorinsky model, are very encouraging.

Debliquy, O.↗

On the Development of an Efficient Parallel Hybrid Solver with Application to Acoustically Treated Aero-Engine Nacelles

A finite element solution to the convected Helmholtz equation in a nonuniform flow is used to model the noise field within 3-D acoustically treated aero-engine nacelles. Options to select linear or cubic Hermite polynomial basis functions and isoparametric elements are included. However, the key feature of the method is a domain decomposition procedure that is based upon the inter-mixing of an iterative and a direct solve strategy for solving the discrete finite element equations. This procedure is optimized to take full advantage of sparsity and exploit the increased memory and parallel processing capability of modern computer architectures. Example computations are presented for the Langley Flow Impedance Test facility and a rectangular mapping of a full scale, generic aero-engine nacelle. The accuracy and parallel performance of this new solver are tested on both model problems using a supercomputer that contains hundreds of central processing units. Results show that the method gives extremely accurate attenuation predictions, achieves super-linear speedup over hundreds of CPUs, and solves upward of 25 million complex equations in a quarter of an hour.

Watson, Willie R.↗

A family of independent Variable Eddington Factor methods with efficient preconditioned iterative solvers

We present a family of discretizations for the Variable Eddington Factor (VEF) equations that have high-order accuracy on curved meshes and efficient preconditioned iterative solvers. The VEF discretizations are combined with the Discontinuous Galerkin transport discretization from to form effective high-order, linear transport methods. The VEF discretizations are derived by extending the unified analysis of Discontinuous Galerkin methods for elliptic problems presented by Arnold et al. to the VEF equations. This framework is used to define analogs of the interior penalty, second method of Bassi and Rebay, minimal dissipation local Discontinuous Galerkin, and continuous finite element methods. The analysis of subspace correction preconditioners, which use a continuous operator to iteratively precondition the discontinuous discretization, is extended to the case of the non-symmetric VEF system. Numerical results demonstrate that the VEF discretizations have arbitrary-order accuracy on curved meshes, preserve the thick diffusion limit, and are effective on a proxy problem from thermal radiative transfer in both outer transport iterations and inner preconditioned linear solver iterations. We demonstrate that the VEF solution converges to the S N transport solution as the mesh is refined on both problems with smooth and non-smooth behavior in angle. Parallel performance studies show that the interior penalty VEF discretization's linear solve weak scales out to 1024 processors and strong scales well on a single node. Particular attention is paid to the parallel performance of the VEF algorithm when used in combination with a parallel block Jacobi transport sweep.

97 MATHEMATICS AND COMPUTING↗

Domain Decomposition Algorithms for First-Order System Least Squares Methods

Least squares methods based on first-order systems have been recently proposed and analyzed for second-order elliptic equations and systems. They produce symmetric and positive definite discrete systems by using standard finite element spaces, which are not required to satisfy the inf-sup condition. In this paper, several domain decomposition algorithms for these first-order least squares methods are studied. Some representative overlapping and substructuring algorithms are considered in their additive and multiplicative variants. The theoretical and numerical results obtained show that the classical convergence bounds (on the iteration operator) for standard Galerkin discretizations are also valid for least squares methods.

Pavarino, Luca F.↗

A matrix-free hyperviscosity formulation for high-order ALE hydrodynamics

The numerical approximation of compressible hydrodynamics is at the core of high-energy density (HED) multiphysics simulations as shocks are the driving force in experiments like inertial confinement fusion (ICF). In this work, we describe our extension of the hyperviscosity technique, originally developed for shock treatment in finite difference simulations, for use in arbitrarily high-order finite element methods for Lagrangian hydrodynamics. Hyperviscosity enables shock capturing while preserving the high-order properties of the underlying discretization away from the shock region. Specifically, we compute a high-order term based on a product of the mesh length scale to a high power scaled by a hyper-Laplacian operator applied to a scalar field. We then form the total artificial viscosity by taking a non-linear blend of this term and a traditional artificial viscosity term. We also present a matrix-free formulation for computing the finite element based hyper-Laplacian operator. Such matrix-free methods have superior performance characteristics compared to traditional full matrix assembly approaches and offer advantages for GPU based HPC hardware. We demonstrate the numerical convergence of our method and its application to complex, multi-material ALE simulations on high-order (curved) meshes.

97 MATHEMATICS AND COMPUTING↗

A Non-perturbative Approach to Computing Seismic Normal Modes in Rotating Planets

In this work, a continuous Galerkin method based approach is presented to compute the seismic normal modes of rotating planets. Special care is taken to separate out the essential spectrum in the presence of a fluid outer core using a polynomial filtering eigensolver. The relevant elastic-gravitational system of equations, including the Coriolis force, is subjected to a mixed finite-element method, while self-gravitation is accounted for with the fast multipole method. Our discretization utilizes fully unstructured tetrahedral meshes for both solid and fluid regions. The relevant eigenvalue problem is solved by a combination of several highly parallel and computationally efficient methods. We validate our three-dimensional results in the non-rotating case using analytical results for constant elastic balls, as well as numerical results for an isotropic Earth model from standard “radial” algorithms. We also validate the computations in the rotating case, but only in the slowly-rotating regime where perturbation theory applies, because no other independent algorithms are available in the general case. The algorithm and code are used to compute the point spectra of eigenfrequencies in several Earth and Mars models studying the effects of heterogeneity on a large range of scales.

58 GEOSCIENCES↗

A higher-order finite element reactive transport model for unstructured and fractured grids

Abstract This work presents a new reactive transport framework that combines a powerful geochemistry engine with advanced numerical methods for flow and transport in subsurface fractured porous media. Specifically, the PhreeqcRM interface (developed by the USGS) is used to take advantage of a large library of equilibrium and kinetic aqueous and fluid-rock reactions, which has been validated by numerous experiments and benchmark studies. Fluid flow is modeled by the Mixed Hybrid Finite Element (FE) method, which provides smooth velocity fields even in highly heterogenous formations with discrete fractures. A multilinear Discontinuous Galerkin FE method is used to solve the multicomponent transport problem. This method is locally mass conserving and its second order convergence significantly reduces numerical dispersion. In terms of thermodynamics, the aqueous phase is considered as a compressible fluid and its properties are derived from a Cubic Plus Association (CPA) equation of state. The new simulator is validated against several benchmark problems (involving, e.g., Fickian and Nernst-Planck diffusion, isotope fractionation, advection-dispersion transport, and rock-fluid reactions) before demonstrating the expanded capabilities offered by the underlying FE foundation, such as high computational efficiency, parallelizability, low numerical dispersion, unstructured 3D gridding, and discrete fraction modeling.

58 GEOSCIENCES↗

Nek5000: improvements in the available RANS models, meshing, tutorials, and training

This year, the Nuclear Energy Advanced Modeling Simulation program (NEAMS) thermal-hydraulics report for Nek5000 NRC- and verification and validation (V&V)-driven development focuses on following areas of code application and improvement. First we have continued improvements of RANS modeling capabilities in Nek5000 including improved k-tau model focusing mostly on wallfunction initial implementation with spectral element method (SEM) and initiating investigation of an alternative approach XSEM that greatly reduces discretization errors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SCEPTRE 2.6 User's Guide

Sandia’s Computational Engine for Particle Transport for Radiation Effects (SCEPTRE) is a computer code that solves the linear Boltzmann transport equation, particularly targeting coupled photon-electron problems. It uses unstructured finite element meshes in space, multigroup in energy, and discrete ordinates (S n ) or other methods in angle. SCEPTRE uses an xml-based input file to specify the problem. This report documents the options and syntax of that input file.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analysis of mixed-mode crack propagation using the boundary integral method

Crack propagation in a rotating inner raceway of a high speed roller bearing is analyzed using the boundary integral equation method. The method consists of an edge crack in a plate under tension, upon which varying Hertzian stress fields are superimposed. A computer program for the boundary integral equation method was written using quadratic elements to determine the stress and displacement fields for discrete roller positions. Mode I and Mode II stress intensity factors and crack extension forces G sub 00 (energy release rate due to tensile opening mode) and G sub r0 (energy release rate due to shear displacement mode) were computed. These calculations permit determination of that crack growth angle for which the change in the crack extension forces is maximum. The crack driving force was found to be the alternating mixed-mode loading that occurs with each passage of the most heavily loaded roller. The crack is predicted to propagate in a step-like fashion alternating between radial and inclined segments, and this pattern was observed experimentally. The maximum changes DeltaG sub 00 and DeltaG sub r0 of the crack extension forces are found to be good measures of the crack propagation rate and direction.

Mendelson, A.↗