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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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NASA NTRS1978

Numerical spatial marching techniques for estimating duct attenuation and source pressure profiles

A numerical method is developed that could predict the pressure distribution of a ducted source from far-field pressure inputs. Using an initial value formulation, the two-dimensional homogeneous Helmholtz wave equation (no steady flow) is solved using explicit marching techniques. The Von Neumann method is used to develop relationships which describe how sound frequency and grid spacing effect numerical stability. At the present time, stability considerations limit the approach to high frequency sound. Sample calculations for both hard and soft wall ducts compare favorably to known boundary value solutions. In addition, assuming that reflections in the duct are small, this initial value approach is successfully used to determine the attenuation of a straight soft wall duct. Compared to conventional finite difference or finite element boundary value approaches, the numerical marching technique is orders of magnitude shorter in computation time and required computer storage and can be easily employed in problems involving high frequency sound.

Baumeister, K. J.↗

NASA NTRS2012

Multiscale Modeling of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2: Application to Lattice Thermal Conductivity

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Lawson, John W.↗

NASA NTRS2012

Multiscale Modeling of UHTC: Thermal Conductivity

Lawson, John W.↗

NASA NTRS1974

Finite element solution theory for three-dimensional boundary flows

A finite element algorithm is derived for the numerical solution of a three-dimensional flow field described by a system of initial-valued, elliptic boundary value partial differential equations. The familiar three-dimensional boundary layer equations belong to this description when diffusional processes in only one coordinate direction are important. The finite element algorithm transforms the original description into large order systems of ordinary differential equations written for the dependent variables discretized at node points of an arbitrarily irregular computational lattice. The generalized elliptic boundary conditions is piecewise valid for each dependent variable on boundaries that need not explicitly coincide with coordinate surfaces. Solutions for sample problems in laminar and turbulent boundary flows illustrate favorable solution accuracy, convergence, and versatility.

Baker, A. J.↗

DOE OSTI2025

On optimal control of hybrid dynamical systems using complementarity constraints

Optimal control for switch-based dynamical systems is a challenging problem in the process control literature. In this study, we model these systems as hybrid dynamical systems with finite number of unknown switching points and reformulate them using non-smooth and non-convex complementarity constraints as a mathematical program with complementarity constraints (MPCC). We utilize a moving finite element based strategy to discretize the differential equation system to accurately locate the unknown switching points at the finite element boundary and achieve high-order accuracy at intermediate non-collocation points. We propose a globalization approach to solve the discretized MPCC problem using a mixed NLP/MILP-based strategy to converge to a non-spurious first-order optimal solution. The method is tested on three dynamic optimization examples, including a gas–liquid tank model and an optimal control problem with a sliding mode solution.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Statistics of internal stress fluctuations in dislocated crystals and relevance to density-based dislocation dynamics models

A statistical analysis of internal stress fluctuations, defined as the difference between the local mean stress and stress on dislocations, is presented for deforming crystals with 3D discrete dislocation systems. Dislocation realizations are generated using dislocation dynamics simulations and the associated stress field is computed as a superposition of a regularized stress field of dislocation lines within the domain of the solution and a complementary stress field computed via a finite-element boundary value problem. The internal stress fluctuations of interest are defined by an ensemble of the difference between the stress on dislocation lines and the local mean field stress in the crystal. The latter is established in a piecewise fashion over small voxels in the crystal thus allowing the difference between the local average stress and stress on segments to be easily estimated. The results show that the Schmid stress (resolved shear stress) and Escaig stress fluctuations on various slip systems sampled over a random set of points follow a Cauchy (Lorentz) distribution at all strain levels, with the amplitude and width of the distribution being dependent on the strain. Finally, the implications of the Schmid and Escaig internal stress fluctuations are discussed from the points of view of dislocation cross-slip and the dislocation motion in continuum dislocation dynamics.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Context-Aware Learning for Inverse Design in Photovoltaics

This document describes progress in the ARPA-E DIFFERENTIATE project titled “Context-Aware Learning for Inverse Design in Photovoltaics” during the period of May 2019 to May 2022. This project is being performed at Iowa State University, New York University, Stanford University, and National Renewable Energy Laboratory. The project aims to develop a new machine learning (ML) framework to significantly accelerate the design of organic microstructures for improved organic photovoltaic performance. In this project, we had developed an inverse design framework using Deep Learning called InvNets for generating microstructures with desired physics-driven properties. As a preliminary product, in Milestone 3, we demonstrated how InvNets show 20% improvement in the performance of the microstructures and over 100X speedup in the performance compared to traditional processes for physics-driven inverse design. Later, in Milestone 6, we demonstrated that InvNets work for more complex physics properties, specifically, generating microstructures for organic photovoltaic cells with desired current-voltage characteristics. Further, in Milestone 4, we explored the idea of using physics-aware surrogates for obtaining solutions of partial differential equations(PDE) called as DiffNets(now called as NeuFENets to avoid ambiguity of names). The connection between both frameworks is that DiffNet surrogates form the physics-aware surrogate in the InvNet framework. Finally in Milestone 8, we extend our framework for other physics domains. Specifically, we explore building geometry-aware NeuFENets by developing physics surrogates that exploit ideas from traditional immersed boundary finite element methods. With these updates, we are able to achieve all the Milestones.

36 MATERIALS SCIENCE↗

NASA NTRS1984

3-D inelastic analysis methods for hot section components (base program)

A 3-D inelastic analysis methods program consists of a series of computer codes embodying a progression of mathematical models (mechanics of materials, special finite element, boundary element) for streamlined analysis of combustor liners, turbine blades, and turbine vanes. These models address the effects of high temperatures and thermal/mechanical loadings on the local (stress/strain) and global (dynamics, buckling) structural behavior of the three selected components. These models are used to solve 3-D inelastic problems using linear approximations in the sense that stresses/strains and temperatures in generic modeling regions are linear functions of the spatial coordinates, and solution increments for load, temperature and/or time are extrapolated linearly from previous information. Three linear formulation computer codes, referred to as MOMM (Mechanics of Materials Model), MHOST (MARC-Hot Section Technology), and BEST (Boundary Element Stress Technology), were developed and are described.

Wilson, R. B.↗

NASA NTRS1985

Numerical Techniques in Acoustics

This is the compilation of abstracts of the Numerical Techniques in Acoustics Forum held at the ASME's Winter Annual Meeting. This forum was for informal presentation and information exchange of ongoing acoustic work in finite elements, finite difference, boundary elements and other numerical approaches. As part of this forum, it was intended to allow the participants time to raise questions on unresolved problems and to generate discussions on possible approaches and methods of solution.

Baumeister, K. J.↗

NASA NTRS1986

Research related to improved computer aided design software package

The comparative computational efficiencies of the finite element (FEM), boundary element (BEM), and hybrid boundary element-finite element (HVFEM) analysis techniques are evaluated for representative bounded domain interior and unbounded domain exterior problems in elastostatics. Computational efficiency is carefully defined in this study as the computer time required to attain a specified level of solution accuracy. The study found the FEM superior to the BEM for the interior problem, while the reverse was true for the exterior problem. The hybrid analysis technique was found to be comparable or superior to both the FEM and BEM for both the interior and exterior problems.

Walston, W. H., Jr.↗

NASA NTRS1986

On 3-D inelastic analysis methods for hot section components (base program)

A 3-D Inelastic Analysis Method program is described. This program consists of a series of new computer codes embodying a progression of mathematical models (mechanics of materials, special finite element, boundary element) for streamlined analysis of: (1) combustor liners, (2) turbine blades, and (3) turbine vanes. These models address the effects of high temperatures and thermal/mechanical loadings on the local (stress/strain)and global (dynamics, buckling) structural behavior of the three selected components. Three computer codes, referred to as MOMM (Mechanics of Materials Model), MHOST (Marc-Hot Section Technology), and BEST (Boundary Element Stress Technology), have been developed and are briefly described in this report.

Wilson, R. B.↗

NASA NTRS1987

Advances in 3-D Inelastic Analysis Methods for hot section components

3-D Inelastic Analysis Methods are described. These methods consist of a series of new computer codes embodying a progression of mathematical models (mechanics of materials, specialty finite element, boundary element) for streamlined analysis of: (1) combustor liners, (2) turbine blades, and (3) turbine vanes. These models address the effects of high temperatures and thermal/mechanical loadings on the local (stress/strain) and global (dynamics, buckling) structural behavior of the three selected components. Three computer codes, referred to as MOMM (Mechanics of Materials Model), MHOST (MARC-Hot Section Technology), and BEST (Boundary Element Stress Technology), have been developed and are briefly described in this paper.

Chamis, Christos C.↗

NASA NTRS1989

Advanced methods for 3-D inelastic structural analysis for hot engine structures

Three-dimensional Inelastic Analysis Methods are described. These methods were incorporated into a series of new computer codes embodying a progression of mathematical models (mechanics of materials, specialty finite element, boundary element) for streamlined analysis of hot engine structures such as: (1) combustor liners, (2) turbine blades, and (3) turbine vanes. These models address the effects of high temperatures and thermal/mechanical loadings on the local (stress/strain) and global (displacements, frequencies, amplitudes, buckling) structural behavior of the three respective components. The methods and the three computer codes, referred to as MOMM (Mechanics Of Materials Model), MHOST (MARC-Hot Section Technology), and BEST3D (Boundary Element Stress Technology), have been developed and are briefly described.

Chamis, C. C.↗

NASA NTRS1995

Arbitrarily shaped dual-stacked patch antennas: A hybrid FEM simulation

A dual-stacked patch antenna is analyzed using a hybrid finite element - boundary integral (FE-BI) method. The metallic patches of the antenna are modeled as perfectly electric conducting (PEC) plates stacked on top of two different dielectric layers. The antenna patches may be of any shape and the lower patch is fed by a coaxial cable from underneath the ground plane or by an aperture coupled microstrip line. The ability of the hybrid FEM technique for the stacked patch antenna characterization will be stressed, and the EM coupling mechanism is also discussed with the aid of the computed near field patterns around the patches.

Gong, Jian↗

NASA NTRS1993

A new conformal absorbing boundary condition for finite element meshes and parallelization of FEMATS

Some of the progress toward the development and parallelization of an improved version of the finite element code FEMATS is described. This is a finite element code for computing the scattering by arbitrarily shaped three dimensional surfaces composite scatterers. The following tasks were worked on during the report period: (1) new absorbing boundary conditions (ABC's) for truncating the finite element mesh; (2) mixed mesh termination schemes; (3) hierarchical elements and multigridding; (4) parallelization; and (5) various modeling enhancements (antenna feeds, anisotropy, and higher order GIBC).

Chatterjee, A.↗

NASA NTRS1977

Summary of calculation procedures for nonsimilar two- and three-dimensional compressible turbulent boundary layers (finite difference, finite element and weighted residual methods), appendix

This numerical prediction summary indicates the wide variety of such procedures which are available. Most procedures have detailed user manuals, and in many cases the codes are available. Many of the special effects treated by various methods (such as nonequilibrium or equilibrium chemistry, transition, roughness etc.) are indicated.

Source record↗

NASA NTRS1981

Accuracy and convergence of a finite element algorithm for laminar boundary layer flow

The Galerkin-weighted residuals formulation is employed to derive an implicit finite element solution algorithm for a generally non-linear initial-boundary value problem. Solution accuracy and convergence with discretization refinement are quantized in several error norms, for the non-linear parabolic partial differential equation system governing laminar boundary layer flow, using linear, quadratic and cubic functions. Richardson extrapolation is used to isolate integration truncation error in all norms, and Newton iteration is employed for all equation solutions performed in double-precision. The mathematical theory supporting accuracy and convergence concepts for linear elliptic equations appears extensible to the non-linear equations characteristic of laminar boundary layer flow.

Soliman, M. O.↗

NASA NTRS1981

Accuracy and convergence of a finite element algorithm for turbulent boundary layer flow

The Galerkin-Weighted Residuals formulation is employed to derive an implicit finite element solution algorithm for the nonlinear parabolic partial differential equation system governing turbulent boundary layer flow. Solution accuracy and convergence with discretization refinement are quantized in several error norms using linear and quadratic basis functions. Richardson extrapolation is used to isolate integration truncation error in all norms, and Newton iteration is employed for all equation solutions performed in double-precision. The mathematical theory supporting accuracy and convergence concepts for linear elliptic equations appears extensible to the nonlinear equations characteristic of turbulent boundary layer flow.

Soliman, M. O.↗