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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Involute Working Group – FSI Analysis of Fuel Plates Using Finite Volume and Finite Element Methods

The three involute plate research reactors RHF, HFIR, and FRM II have expressed an interest in using computational software to carry their steady-state safety analysis. Since these tools represent a significant departure from the methods used currently (one-dimensional), the acceptability of the new approach by regulators requires thorough verification and validation of these tools. Therefore, Argonne National Laboratory and the three involute-plate reactors formed an informal group called the Involute Working Group aiming at qualifying computational tools to perform steady-state safety analysis. The present report focuses on a comparison of finite volume and finite element methods to model solids in fluid-structure interaction problems with the goal to estimate the coolant flow-induced fuel plate deflections obtained with the two methods. The finite volume method will be obsoleted in STARCCM+ by the end of 2021, nevertheless, this evaluation is important because the method was used by ANL researchers to model the response of the fuel plates, despite its drawbacks, which are discussed in the report. It was essential to check how those estimates compare to the results obtained with the finite element method that is considered superior for structural analysis. Various geometries, i.e., flat, cylindrical and circle-involute fuel plates, as well as coolant flow speed, were considered. The comparison shows that, independently of the plate geometry, the finite volume method significantly underestimates the deflection as compared to finite element method for coarser meshes. When the discretization is developed as a result of a mesh sensitivity study using finite element method, the result obtained using finite volume method can be a few times smaller than the corresponding finite element method solution. A code-to-code comparison , between STAR-CCM+ and LS-DYNA was included in the analysis. Within the LS-DYNA models, two types of finite element formulations were used: solid and shell finite elements. Mesh sensitivity study showed that both approaches converge to a similar value that was obtained with STAR-CCM+ finite element solver. The evaluation of the computational solvers was extended by adding two benchmark cases from the STAR-CCM+ Verification Suite and presented in the Appendix A. The selected cases are: (1) bending of a cantilever beam under external load, and (2) cylindrical shell deformation analysis, known in the literature as ‘Scordelis-Lo roof’. The problems were solved with finite volume, and finite element methods, and the results confirmed the previously discussed findings. The analysis shows that the finite element solver is superior to the finite volume solver in terms of representation of model geometry and estimating the structural behavior of fuel plates. Depending on the ratio of the load to the flexibility of the plate, the finite volume solver can greatly under- or overestimate the structural response if a very carefully selected mesh is not used.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1976

The Relation of Finite Element and Finite Difference Methods

Finite element and finite difference methods are examined in order to bring out their relationship. It is shown that both methods use two types of discrete representations of continuous functions. They differ in that finite difference methods emphasize the discretization of independent variable, while finite element methods emphasize the discretization of dependent variable (referred to as functional approximations). An important point is that finite element methods use global piecewise functional approximations, while finite difference methods normally use local functional approximations. A general conclusion is that finite element methods are best designed to handle complex boundaries, while finite difference methods are superior for complex equations. It is also shown that finite volume difference methods possess many of the advantages attributed to finite element methods.

Vinokur, M.↗
DOE OSTI2023

Finite-temperature many-body perturbation theory for anharmonic vibrations: Recursions, algebraic reduction, second-quantized reduction, diagrammatic rules, linked-diagram theorem, finite-temperature self-consistent field, and general-order algorithm

A unified theory is presented for finite-temperature many-body perturbation expansions of the anharmonic vibrational contributions to thermodynamic functions, i.e., the free energy, internal energy, and entropy. The theory is diagrammatically size-consistent at any order, as ensured by the linked-diagram theorem proved in this study, and, thus, applicable to molecular gases and solids on an equal footing. It is also a basis-set-free formalism, just like its underlying Bose–Einstein theory, capable of summing anharmonic effects over an infinite number of states analytically. It is formulated by the Rayleigh–Schrödinger-style recursions, generating sum-over-states formulas for the perturbation series, which unambiguously converges at the finite-temperature vibrational full-configuration-interaction limits. Two strategies are introduced to reduce these sum-over-states formulas into compact sum-over-modes analytical formulas. One is a purely algebraic method that factorizes each many-mode thermal average into a product of one-mode thermal averages, which are then evaluated by the thermal Born–Huang rules. Canonical forms of these rules are proposed, dramatically expediting the reduction process. The other is finite-temperature normal-ordered second quantization, which is fully developed in this study, including a proof of thermal Wick’s theorem and the derivation of a normal-ordered vibrational Hamiltonian at finite temperature. The latter naturally defines a finite-temperature extension of size-extensive vibrational self-consistent field theory. These reduced formulas can be represented graphically as Feynman diagrams with resolvent lines, which include anomalous and renormalization diagrams. Two order-by-order and one general-order algorithms of computing these perturbation corrections are implemented and applied up to the eighth order. The results show no signs of Kohn–Luttinger-type nonconvergence.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1978

Numerical computation of transonic flows by finite-element and finite-difference methods

Studies on applications of the finite element approach to transonic flow calculations are reported. Different discretization techniques of the differential equations and boundary conditions are compared. Finite element analogs of Murman's mixed type finite difference operators for small disturbance formulations were constructed and the time dependent approach (using finite differences in time and finite elements in space) was examined.

Hafez, M. M.↗
NASA NTRS1978

Finite elements and finite differences for transonic flow calculations

The paper reviews the chief finite difference and finite element techniques used for numerical solution of nonlinear mixed elliptic-hyperbolic equations governing transonic flow. The forms of the governing equations for unsteady two-dimensional transonic flow considered are the Euler equation, the full potential equation in both conservative and nonconservative form, the transonic small-disturbance equation in both conservative and nonconservative form, and the hodograph equations for the small-disturbance case and the full-potential case. Finite difference methods considered include time-dependent methods, relaxation methods, semidirect methods, and hybrid methods. Finite element methods include finite element Lax-Wendroff schemes, implicit Galerkin method, mixed variational principles, dual iterative procedures, optimal control methods and least squares.

Hafez, M. M.↗
NASA NTRS1979

Finite-strain large-deflection elastic-viscoplastic finite-element transient response analysis of structures

A method of analysis for thin structures that incorporates finite strain, elastic-plastic, strain hardening, time dependent material behavior implemented with respect to a fixed configuration and is consistently valid for finite strains and finite rotations is developed. The theory is formulated systematically in a body fixed system of convected coordinates with materially embedded vectors that deform in common with continuum. Tensors are considered as linear vector functions and use is made of the dyadic representation. The kinematics of a deformable continuum is treated in detail, carefully defining precisely all quantities necessary for the analysis. The finite strain theory developed gives much better predictions and agreement with experiment than does the traditional small strain theory, and at practically no additional cost. This represents a very significant advance in the capability for the reliable prediction of nonlinear transient structural responses, including the reliable prediction of strains large enough to produce ductile metal rupture.

Rodal, J. J. A.↗
NASA NTRS1981

Application of 'steady' state finite element and transient finite difference theory to sound propagation in a variable duct - A comparison with experiment

Experimental data are presented for sound propagation in a simulated infinite hard wall duct with a large change in duct cross sectional area. The data are conveniently tabulated for further use. The 'steady' state finite element theory of Astley and Eversman (1981) and the transient finite difference theory of White (1981) are in good agreement with the data for both the axial and transverse pressure profiles and the axial phase angle. Therefore, numerical finite difference and finite element theories appear to be ideally suited for handling duct propagation problems which encounter large axial gradients in acoustic parameters. The measured energy reflection coefficient agrees with the values from the Astley-Eversman modal coupling model.

Baumeister, K. J.↗
NASA NTRS1981

Application of steady state finite element and transient finite difference theory to sound propagation in a variable area duct: A comparison with experiment

Sound propagation without flow in a rectangular duct with a converging-diverging area variation was studied experimentally and theoretically. The area variation was of sufficient magnitude to produce large reflections and induce modal scattering. The rms (root-mean-squared) pressure and phase angle on both the flat and curved surface were measured and tabulated. The steady state finite element theory and the transient finite difference theory are in good agreement with the data. It is concluded that numerical finite difference and finite element theories appear ideally suited for handling duct propagation problems which encounter large area variations.

Baumeister, K. J.↗
NASA NTRS1985

A comparison of finite-difference and finite-element methods for calculating free edge stresses in composites

It is pointed out that edge delamination is a serious failure mechanism for laminated composite materials. Various numerical methods have been utilized in attempts to calculate the interlaminar stress components which precede delamination in a laminate. There are, however, discrepancies regarding the results provided by different methods, taking into account a finite-difference procedure, a perturbation procedure, and finite element approaches. The present investigation has the objective to assess the capacity of a finite difference method to predict the character and magnitude of the interlaminar stress distributions near an interface corner. A second purpose of the investigation is to determine if predictions by finite element method in-plane, interlaminar stress components near an interface corner represent actual laminate behavior.

Bauld, N. R., Jr.↗
NASA NTRS1989

Finite element analysis in fluids; Proceedings of the Seventh International Conference on Finite Element Methods in Flow Problems, University of Alabama, Huntsville, Apr. 3-7, 1989

Recent advances in computational fluid dynamics are examined in reviews and reports, with an emphasis on finite-element methods. Sections are devoted to adaptive meshes, atmospheric dynamics, combustion, compressible flows, control-volume finite elements, crystal growth, domain decomposition, EM-field problems, FDM/FEM, and fluid-structure interactions. Consideration is given to free-boundary problems with heat transfer, free surface flow, geophysical flow problems, heat and mass transfer, high-speed flow, incompressible flow, inverse design methods, MHD problems, the mathematics of finite elements, and mesh generation. Also discussed are mixed finite elements, multigrid methods, non-Newtonian fluids, numerical dissipation, parallel vector processing, reservoir simulation, seepage, shallow-water problems, spectral methods, supercomputer architectures, three-dimensional problems, and turbulent flows.

Chung, T. J.↗
NASA NTRS1992

GENSURF: A mesh generator for 3D finite element analysis of surface and corner cracks in finite thickness plates subjected to mode-1 loadings

A computer program that generates three-dimensional (3D) finite element models for cracked 3D solids was written. This computer program, gensurf, uses minimal input data to generate 3D finite element models for isotropic solids with elliptic or part-elliptic cracks. These models can be used with a 3D finite element program called surf3d. This report documents this mesh generator. In this manual the capabilities, limitations, and organization of gensurf are described. The procedures used to develop 3D finite element models and the input for and the output of gensurf are explained. Several examples are included to illustrate the use of this program. Several input data files are included with this manual so that the users can edit these files to conform to their crack configuration and use them with gensurf.

Raju, I. S.↗
NASA NTRS1992

Comparison of truncation error of finite-difference and finite-volume formulations of convection terms

Judging by errors in the computational-fluid-dynamics literature in recent years, it is not generally well understood that (above first-order) there are significant differences in spatial truncation error between formulations of convection involving a finite-difference approximation of the first derivative, on the one hand, and a finite-volume model of flux differences across a control-volume cell, on the other. The difference between the two formulations involves a second-order truncation-error term (proportional to the third-derivative of the convected variable). Hence, for example, a third (or higher) order finite-difference approximation for the first-derivative convection term is only second-order accurate when written in conservative control-volume form as a finite-volume formulation, and vice versa.

Leonard, B. P.↗
NASA NTRS2013

High-Order Entropy Stable Finite Difference Schemes for Nonlinear Conservation Laws: Finite Domains

Developing stable and robust high-order finite difference schemes requires mathematical formalism and appropriate methods of analysis. In this work, nonlinear entropy stability is used to derive provably stable high-order finite difference methods with formal boundary closures for conservation laws. Particular emphasis is placed on the entropy stability of the compressible Navier-Stokes equations. A newly derived entropy stable weighted essentially non-oscillatory finite difference method is used to simulate problems with shocks and a conservative, entropy stable, narrow-stencil finite difference approach is used to approximate viscous terms.

Fisher, Travis C.↗
DOE OSTI2021

Distinguishing localization from chaos: Challenges in finite-size systems

Highlights: • Provides an overview of the current understanding of the many-body localization phase transition. • Discusses the subtleties of finite-size scaling near this transition • Assesses the implications of these subtleties for numerical studies of spin chains. • Explores scaling of diagnostics in models with known localization transitions. • Presents suggestions for future numerical work. We re-examine attempts to study the many-body localization transition using measures that are physically natural on the ergodic/quantum chaotic regime of the phase diagram. Using simple scaling arguments and an analysis of various models for which rigorous results are available, we find that these measures can be particularly adversely affected by the strong finite-size effects observed in nearly all numerical studies of many-body localization. This severely impacts their utility in probing the transition and the localized phase. In light of this analysis, we discuss a recent study (Šuntajs et al., 2020) of the behaviour of the Thouless energy and level repulsion in disordered spin chains, and its implications for the question of whether MBL is a true phase of matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ab-Initio Investigation of Finite Size Effects in Rutile Titania Nanoparticles with Semilocal and Nonlocal Density Functionals

In this work, we employ hybrid and generalized gradient approximation (GGA) level density functional theory (DFT) calculations to investigate the convergence of surface properties and electronic gap of rutile titania nanoparticles with particle size. The surface energies and electronic gaps are calculated for cuboidal particles with minimum dimension ranging from 3.7 Angstrom (24 atoms) to 10.3 Angstrom (384 atoms) using a highly-parallel real-space DFT code to enable hybrid level DFT calculations of larger nanoparticles than are typically practical. We deconvolute the geometric and electronic finite size effects in surface energy, and evaluate the influence of defects on electronic gap and density of states (DOS). The electronic finite size effects in surface energy vanish when the minimum length scale of the nanoparticles becomes greater than 10 Angstrom. We show that this length scale is consistent with a computationally efficient numerical analysis of the characteristic length scale of electronic interactions. The surface energy of nanoparticles having minimum dimension beyond this characteristic length can be approximated using slab calculations that account for the geometric defects. In contrast, the finite size effects on the electronic gap and DOS is highly dependent on the shape and size of these particles. Furthermore, the DOS for cuboidal particles and more realistic particles constructed using the Wulff algorithm reveal that defect states within the electronic gap play a key role in determining the eigen value distribution of nanoparticles and the electronic gap does not converge to the bulk limit for the particle sizes investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Finite element analysis of elasto-plastic soils. Report no. 4: Finite element analysis of elasto-plastic frictional materials for application to lunar earth sciences

The behavior of finite element models employing different constitutive relations to describe the stress-strain behavior of soils is investigated. Three models, which assume small strain theory is applicable, include a nondilatant, a dilatant and a strain hardening constitutive relation. Two models are formulated using large strain theory and include a hyperbolic and a Tresca elastic perfectly plastic constitutive relation. These finite element models are used to analyze retaining walls and footings. Methods of improving the finite element solutions are investigated. For nonlinear problems better solutions can be obtained by using smaller load increment sizes and more iterations per load increment than by increasing the number of elements. Suitable methods of treating tension stresses and stresses which exceed the yield criteria are discussed.

Marr, W. A., Jr.↗
NASA NTRS1971

Analysis of finite deformations of elastic solids by the finite element method.

Finite element applications, particularly to analyses of finite deformations in elastic solids, are reviewed, along with the difficulties encountered in the formulation of certain problems and in their numerical solution. Various approaches are discussed for overcoming these and other difficulties. A computer program designed for finite elasticity problems is described, and several numerical examples are presented.

Oden, J. T.↗
NASA NTRS1975

A finite-state, finite-memory minimum principle, part 2

In part 1 of this paper, a minimum principle was found for the finite-state, finite-memory (FSFM) stochastic control problem. In part 2, conditions for the sufficiency of the minimum principle are stated in terms of the informational properties of the problem. This is accomplished by introducing the notion of a signaling strategy. Then a min-H algorithm based on the FSFM minimum principle is presented. This algorithm converges, after a finite number of steps, to a person - by - person extremal solution.

Sandell, N. R., Jr.↗