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NASA NTRS2012

Extension of the Time-Spectral Approach to Overset Solvers for Arbitrary Motion

Forced periodic flows arise in a broad range of aerodynamic applications such as rotorcraft, turbomachinery, and flapping wing configurations. Standard practice involves solving the unsteady flow equations forward in time until the initial transient exits the domain and a statistically stationary flow is achieved. It is often required to simulate through several periods to remove the initial transient making unsteady design optimization prohibitively expensive for most realistic problems. An effort to reduce the computational cost of these calculations led to the development of the Harmonic Balance method [1, 2] which capitalizes on the periodic nature of the solution. The approach exploits the fact that forced temporally periodic flow, while varying in the time domain, is invariant in the frequency domain. Expanding the temporal variation at each spatial node into a Fourier series transforms the unsteady governing equations into a steady set of equations in integer harmonics that can be tackled with the acceleration techniques afforded to steady-state flow solvers. Other similar approaches, such as the Nonlinear Frequency Domain [3,4,5], Reduced Frequency [6] and Time-Spectral [7, 8, 9] methods, were developed shortly thereafter. Additionally, adjoint-based optimization techniques can be applied [10, 11] as well as frequency-adaptive methods [12, 13, 14] to provide even more flexibility to the method. The Fourier temporal basis functions imply spectral convergence as the number of harmonic modes, and correspondingly number of time samples, N, is increased. Some elect to solve the equations in the frequency domain directly, while others choose to transform the equations back into the time domain to simplify the process of adding this capability to existing solvers, but each harnesses the underlying steady solution in the frequency domain. These temporal projection methods will herein be collectively referred to as Time-Spectral methods. Time-Spectral methods have demonstrated marked success in reducing the computational costs associated with simulating periodic forced flows, but have yet to be fully applied to overset or Cartesian solvers for arbitrary motion with dynamic hole-cutting. Overset and Cartesian grid methodologies are versatile techniques capable of handling complex geometry configurations in practical engineering applications, and the combination of the Time-Spectral approach with this general capability potentially provides an enabling new design and analysis tool. In an arbitrary moving-body scenario for these approaches, a Lagrangian body moves through a fixed Eulerian mesh and mesh points in the Eulerian mesh interior to the solid body are removed (cut or blanked), leaving a hole in the Eulerian mesh. During the dynamic motion some gridpoints in the domain are blanked and do not have a complete set of time-samples preventing a direct implementation of the Time-Spectral method. Murman[6] demonstrated the Time-Spectral approach for a Cartesian solver with a rigid domain motion, wherein the hole cutting remains constant. Similarly, Custer et al. [15, 16] used the NASA overset OVERFLOW solver and limited the amount of relative motion to ensure static hole-cutting and interpolation. Recently, Mavriplis and Mundis[17] demonstrated a qualitative method for applying the Time-Spectral approach to an unstructured overset solver for arbitrary motion. The goal of the current work is to develop a robust and general method for handling arbitrary motion with the Time-Spectral approach within an overset or Cartesian mesh method, while still approaching the spectral convergence rate of the original Time-Spectral approach. The viscous OVERFLOW solver will be augmented with the new Time-Spectral algorithm and the capability of the method for benchmark problems in rotorcraft and turbomachinery will be demonstrated. This abstract begins with a brief synopsis of the Time-Spectral approach for overset grids and provides details of e current approach to allow for arbitrary motion. Model problem results in one and two dimensions are included to demonstrate the viability of the method and the convergence properties. Section IV briefly outlines the implementation into the OVERFLOW solver, and the abstract closes with a description of the benchmark test cases which will be included in the final paper.

Leffell, Joshua Isaac↗

DOE OSTI2025

Kinematic flow for cosmological loop integrands

Recently, an interesting pattern was found in the differential equations satisfied by the Feynman integrals describing tree-level correlators of conformally coupled scalars in a power-law FRW cosmology [1, 2]. It was proven that simple and universal graphical rules predict the equations for arbitrary graphs as a flow in kinematic space. In this note, we show that the same rules — with one small addition — also determine the differential equations for loop integrands. We explain that both the basis of master integrals and the singularities of the differential equations can be represented by tubings of marked graphs. An important novelty in the case of loops is that some basis functions can vanish, and we present a graphical rule to identify these vanishing functions. Taking this into account, we then demonstrate that the kinematic flow correctly predicts the differential equations for all loop integrands.

Cosmological models↗

DOE OSTI2022

MEUMAPPS (C++ Version)

Many materials, metal alloys in particular, have features on the on micrometer or nanometer scale that have a large impact on the properties of the material. These features are known as the microstructure of the material. Understanding why and how the microstructure forms in a material is of fundamental scientific interest as well as of significant technological interest. The capability to predict microstructure evolution in a material allows the intentional design of microstructures and hence the intentional design of material properties. The phase-field method is one of the leading methods for predicting microstructure evolution. One of the most significant problems for phase-field models is their computational expense. Even limited phase-field simulations can easily require thousands of CPU core-hours to complete, which significantly limits their use. This code provides both a general framework for creating scalable, GPU-accelerated phase-field model applications as well as several applications themselves. The code is capable of using hundreds of GPUs efficiently, which greatly reduces the time required to perform simulations. The code is written with an emphasis on performance portability, that is the ability for the code to run efficiently on a number of different computing architectures without modification of the source code. The performance portability of this code is primarily enabled through the use of two libraries, Kokkos (performance portable data structures and execution patterns) and heFFTe (performance portable distributed 3D fast Fourier transforms). The code consists of a core library, applications, and tests. The core library includes shared functionality between applications. This includes interfaces with fast Fourier transform (FFT) libraries such as heFFTe, data structures based on Kokkos, file input and output capabilities, and a solver for infinitesimal strain mechanical equilibrium problems. Five applications are included in the code. The flagship application is the MEUMAPPS-SS application, which implements the Kim-Kim-Suzuki phase-field model for precipitation for an arbitrary number of phases and components in a metal alloy. Five simpler applications are also included that solve the Eshelby inclusion problem, Allen-Cahn equation, the coupled Allen-Cahn and diffusion equations, and the Cahn-Hilliard equation. The code includes two applications to solve the Cahn-Hilliard equation, one with constant-step-size first-order time integration and the second with adaptive high-order time integration.

DeWitt, Stephen [Oak Ridge National Lab. (ORNL), O↗

NASA NTRS1975

The behaviour of minor species in the solar wind

The flow of minor species in the solar wind is considered on the basis of a model in which all species are heated in an arbitrary manner as they leave the sun and the minor species interact with the background proton-electron plasma through the radial electric field associated with the latter and by means of Coulomb collisions. In order to produce satisfactory results in which the ions all move at more or less the same speed at the orbit of the earth, it is necessary to introduce heating functions such that each species is given energy in proportion to its mass. Coulomb collisions are found to be important as a means of removing energy from the heavier species close to the sun and bringing all species closer to thermal equilibrium at great distances from the sun. Substantial velocity differences can occur between species, especially close to the sun. Furthermore it is not difficult to construct solutions in which the bulk velocity of the helium ions exceeds that of the solar wind, as is often observed.

Ryan, J. M.↗

NASA NTRS1991

Simplified computational methods for elastic and elastic-plastic fracture problems

This paper presents an overview of some of the recent (1984-1991) developments in computational/analytical methods in the mechanics of fracture: (i) analytical solutions for elliptical or circular cracks embedded in isotropic or transversely isotropic solids (the crack-plane being at an arbitrary angle to the axis of transverse isotropy), with crack-faces being subjected to arbitrary tractions; (ii) finite-element or boundary-element alternating methods for two- and three-dimensional crack problems; (iii) a "direct-stiffness" method for stiffened panels with flexible fasteners and with multiple cracks, using the alternating method; (iv) multiplesite-damage near a row of fastener holes; (v) analysis of cracks with bonded repair patches; (vi) methods for generation of weight-functions for 2- and 3-D crack problems, and (vii) domain-integral methods for elastic-plastic or inelastic crack mechanics.

Aging Aircraft↗

DOE OSTI2022

In Search of Excellence and Equity in Physics

Equal opportunity is central to the concept of meritocracy. Opportunity and leadership should go to the people most qualified by performance, and not on the basis of arbitrary or irrelevant attributes. This principle is arguably most important for high-level leadership due to their outsized impact on the field. At the moment, many in the community perceive that the choice of leaders is infused with a lack of meritocracy and too often driven by cronyism. This is possibly a reason why far worse underrepresentation persists than could be expected from a functioning meritocracy. If we want to change this, we need to change our behavior, i.e., practices.

Barzi, Emanuela (ORCID:0000000158292147)↗

NASA NTRS1985

A first-order time-domain Green's function approach to supersonic unsteady flow

A time-domain Green's Function Method for unsteady supersonic potential flow around complex aircraft configurations is presented. The focus is on the supersonic range wherein the linear potential flow assumption is valid. The Green's function method is employed in order to convert the potential-flow differential equation into an integral one. This integral equation is then discretized, in space through standard finite-element technique, and in time through finite-difference, to yield a linear algebraic system of equations relating the unknown potential to its prescribed co-normalwash (boundary condition) on the surface of the aircraft. The arbitrary complex aircraft configuration is discretized into hyperboloidal (twisted quadrilateral) panels. The potential and co-normalwash are assumed to vary linearly within each panel. Consistent with the spatial linear (first-order) finite-element approximations, the potential and co-normalwash are assumed to vary linearly in time. The long range goal of our research is to develop a comprehensive theory for unsteady supersonic potential aerodynamics which is capable of yielding accurate results even in the low supersonic (i.e., high transonic) range.

Freedman, M. I.↗

NASA NTRS1986

Towards effective interactive three-dimensional colour postprocessing

Recommendations for the development of effective three-dimensional, graphical color postprocessing are made. First, the evaluation of large, complex numerical models demands that a postprocessor be highly interactive. A menu of available functions should be provided and these operations should be performed quickly so that a sense of continuity and spontaneity exists during the post-processing session. Second, an agenda for three-dimensional color postprocessing is proposed. A postprocessor must be versatile with respect to application and basic algorithms must be designed so that they are flexible. A complete selection of tools is necessary to allow arbitrary specification of views, extraction of qualitative information, and access to detailed quantitative and problem information. Finally, full use of advanced display hardware is necessary if interactivity is to be maximized and effective postprocessing of today's numerical simulations is to be achieved.

Bailey, B. C.↗

NASA NTRS2013

Risk-Constrained Dynamic Programming for Optimal Mars Entry, Descent, and Landing

A chance-constrained dynamic programming algorithm was developed that is capable of making optimal sequential decisions within a user-specified risk bound. This work handles stochastic uncertainties over multiple stages in the CEMAT (Combined EDL-Mobility Analyses Tool) framework. It was demonstrated by a simulation of Mars entry, descent, and landing (EDL) using real landscape data obtained from the Mars Reconnaissance Orbiter. Although standard dynamic programming (DP) provides a general framework for optimal sequential decisionmaking under uncertainty, it typically achieves risk aversion by imposing an arbitrary penalty on failure states. Such a penalty-based approach cannot explicitly bound the probability of mission failure. A key idea behind the new approach is called risk allocation, which decomposes a joint chance constraint into a set of individual chance constraints and distributes risk over them. The joint chance constraint was reformulated into a constraint on an expectation over a sum of an indicator function, which can be incorporated into the cost function by dualizing the optimization problem. As a result, the chance-constraint optimization problem can be turned into an unconstrained optimization over a Lagrangian, which can be solved efficiently using a standard DP approach.

Ono, Masahiro↗

DOE OSTI2020

A predictive strain-gradient model with no undetermined constants or length scales

A general meso–scale (GM) crystal plasticity (CP) model was developed that accounts for lower-order (strain hardening) and higher-order (internal stress) effects of geometrically necessary dislocations (GNDs). It is predictive: no arbitrary parameters or length scales were invoked and no ad hoc numerical techniques were employed. It uses general stress field equations for GND content and a novel harmonization technique to enforce consistency of elastic long-range singular defect fields with applied elastic-plastic fields. The model facilitates implementation in commercial finite element programs without requiring special elements, special boundary conditions, or access to element shape functions. GM simulations confirmed, with improved accuracy, previously published predictions of the Hall-Petch effect, Bauschinger effect, and anelasticity. Previously unpredicted phenomena were also predicted: anelasticity and hysteresis for single Ta crystals and strain-hardening stagnation. The internal stresses (higher-order effect) dominate at large length scales, while at small length scales, the GND density hardening (lower-order effect) dominates. As a result, GM predicts that strain heterogeneity and consequent GND internal stresses are important factors in anelasticity.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Defect graph neural networks for materials discovery in high-temperature clean-energy applications

We present a graph neural network approach that fully automates the prediction of defect formation enthalpies for any crystallographic site from the ideal crystal structure, without the need to create defected atomic structure models as input. Here we used density functional theory reference data for vacancy defects in oxides, to train a defect graph neural network (dGNN) model that replaces the density functional theory supercell relaxations otherwise required for each symmetrically unique crystal site. Interfaced with thermodynamic calculations of reduction entropies and associated free energies, the dGNN model is applied to the screening of oxides in the Materials Project database, connecting the zero-kelvin defect enthalpies to high-temperature process conditions relevant for solar thermochemical hydrogen production and other energy applications. The dGNN approach is applicable to arbitrary structures with an accuracy limited principally by the amount and diversity of the training data, and it is generalizable to other defect types and advanced graph convolution architectures. In conclusion, it will help to tackle future materials discovery problems in clean energy and beyond.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Conditional Generative Adversarial Networks for Solving Heat Transfer Problems

Generative Adversarial Networks (GANs) have been used as a deep learning approach to solving physics and engineering problems. Using deep learning for these problems is attractive in that reasonably accurate models can be inferred from only raw data, eliminating the need to define the exact physical equations governing a problem. We expand on previous work using GANs to generate steady-state solutions to the two-dimensional heat equation. Using a basic conditional GAN (cGAN), we generate accurate solutions for rectangular domains conditioned on four edge boundary conditions (MAE < 0.5%). For finding steady-state solutions over arbitrary two-dimensional domains (not constrained to rectangles), we use a cGAN designed for image-to-image translation. We train this GAN on various types of geometric domains (circles, squares, triangles, shapes with one circular or rectangular hole), achieving accurate results on test data made up of geometries similar to those in training (MAE < 1%). For both of these GANs, we experiment with different loss function terms, showing that a term using the gradients of solution images significantly improves the basic cGAN but not the image-to-image GAN. Lastly, we show that the image-to-image GAN performs poorly when applied to two-dimensional geometries that vary in structure from training data (MAE < 8% for shapes with multiple holes or different shaped holes). This demonstrates the cGAN's lack of generalizability. While the cGAN is an accurate and computationally efficient method when trained and tested on similarly structured data, it is a much less reliable method when applied to data that is slightly different in structure from the training data.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1986

Uniformly high order accurate essentially non-oscillatory schemes 3

In this paper (a third in a series) the construction and the analysis of essentially non-oscillatory shock capturing methods for the approximation of hyperbolic conservation laws are presented. Also presented is a hierarchy of high order accurate schemes which generalizes Godunov's scheme and its second order accurate MUSCL extension to arbitrary order of accuracy. The design involves an essentially non-oscillatory piecewise polynomial reconstruction of the solution from its cell averages, time evolution through an approximate solution of the resulting initial value problem, and averaging of this approximate solution over each cell. The reconstruction algorithm is derived from a new interpolation technique that when applied to piecewise smooth data gives high-order accuracy whenever the function is smooth but avoids a Gibbs phenomenon at discontinuities. Unlike standard finite difference methods this procedure uses an adaptive stencil of grid points and consequently the resulting schemes are highly nonlinear.

Harten, A.↗

NASA NTRS1988

A defect stream function, law of the wall/wake method for turbulent boundary layers

The application of the defect stream function to the solution of the two-dimensional, incompressible boundary layer problem is reexamined. A law-of-the-wall/law-of-the-wake formulation for the inner part of the boundary layer is presented which greatly simplifies the computational task near the wall and eliminates the need for an eddy viscosity model in this region. The eddy viscosity model in the outer part of the boundary layer is arbitrary. Formulations for both equilibrium and nonequilibrium boundary layers are presented, and results are compared with previous methods for equilibrium boundary layers. A formulation for primitive variables is presented. The present treatments eliminate the need for resolving the flow in the inner part of the boundary layer computationally, thereby improving computational efficiency.

Barnwell, Richard W.↗

NASA NTRS1993

An analytical/numerical correlation study of the multiple concentric cylinder model for the thermoplastic response of metal matrix composites

The utility of a recently developed analytical micromechanics model for the response of metal matrix composites under thermal loading is illustrated by comparison with the results generated using the finite-element approach. The model is based on the concentric cylinder assemblage consisting of an arbitrary number of elastic or elastoplastic sublayers with isotropic or orthotropic, temperature-dependent properties. The elastoplastic boundary-value problem of an arbitrarily layered concentric cylinder is solved using the local/global stiffness matrix formulation (originally developed for elastic layered media) and Mendelson's iterative technique of successive elastic solutions. These features of the model facilitate efficient investigation of the effects of various microstructural details, such as functionally graded architectures of interfacial layers, on the evolution of residual stresses during cool down. The available closed-form expressions for the field variables can readily be incorporated into an optimization algorithm in order to efficiently identify optimal configurations of graded interfaces for given applications. Comparison of residual stress distributions after cool down generated using finite-element analysis and the present micromechanics model for four composite systems with substantially different temperature-dependent elastic, plastic, and thermal properties illustrates the efficacy of the developed analytical scheme.

Pindera, Marek-Jerzy↗

NASA NTRS1987

Discontinuous solutions to hyperbolic systems under operator splitting

Two-dimensional systems of linear hyperbolic equations are studied with regard to their behavior under a solution strategy that in alternate time-steps solves exactly the component one-dimensional operators. The initial data is a step function across an oblique discontinuity. The manner in which this discontinuity breaks up under repeated applications of the split operator is analyzed, and it is shown that the split solution will fail to match the true solution in any case where the two operators do not share all their eigenvectors. The special case of the fluid flow equations is analyzed in more detail, and it is shown that arbitrary initial data gives rise to pseudo acoustic waves and a non-physical stationary wave. The implications of these findings for the design of high-resolution computing schemes are discussed.

Roe, P. L.↗

NASA NTRS1989

Recursive multibody dynamics and discrete-time optimal control

A recursive algorithm is developed for the solution of the simulation dynamics problem for a chain of rigid bodies. Arbitrary joint constraints are permitted, that is, joints may allow translational and/or rotational degrees of freedom. The recursive procedure is shown to be identical to that encountered in a discrete-time optimal control problem. For each relevant quantity in the multibody dynamics problem, there exists an analog in the context of optimal control. The performance index that is minimized in the control problem is identified as Gibbs' function for the chain of bodies.

Deleuterio, G. M. T.↗

NASA NTRS1992

Application of the multiple PRF technique to resolve Doppler centroid estimation ambiguity for spaceborne SAR

Estimation of the Doppler centroid ambiguity is a necessary element of the signal processing for SAR systems with large antenna pointing errors. Without proper resolution of the Doppler centroid estimation (DCE) ambiguity, the image quality will be degraded in the system impulse response function and the geometric fidelity. Two techniques for resolution of DCE ambiguity for the spaceborne SAR are presented; they include a brief review of the range cross-correlation technique and presentation of a new technique using multiple pulse repetition frequencies (PRFs). For SAR systems, where other performance factors control selection of the PRF's, an algorithm is devised to resolve the ambiguity that uses PRF's of arbitrary numerical values. The performance of this multiple PRF technique is analyzed based on a statistical error model. An example is presented that demonstrates for the Shuttle Imaging Radar-C (SIR-C) C-band SAR, the probability of correct ambiguity resolution is higher than 95 percent for antenna attitude errors as large as 3 deg.

Chang, C. Y.↗