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NASA NTRS1981

Computational methods in nonlinear structural and solid mechanics; Proceedings of the Symposium, Washington, D.C., October 6-8, 1980. Symposium sponsored by the George Washington University and NASA

Topics discussed include computational strategies for nonlinear problems in structural mechanics, time integration techniques and the numerical solution of nonlinear algebraic equations, material characterization and nonlinear fracture mechanics, nonlinear interaction problems, and seismic response and the nonlinear analysis of concrete structures. Also considered are nonlinear problems for nuclear reactors, crash dynamics and impact problems, nonlinear problems of fibrous composites and advanced nonlinear applications, and computerized symbolic manipulation and nonlinear analysis software systems.

Noor, A. K.↗

NASA NTRS1990

Near-wall turbulence model and its application to fully developed turbulent channel and pipe flows

A near-wall turbulence model and its incorporation into a multiple-timescale turbulence model are presented. The near-wall turbulence model is obtained from a k-equation turbulence model and a near-wall analysis. In the method, the equations for the conservation of mass, momentum, and turbulent kinetic energy are integrated up to the wall, and the energy transfer and the dissipation rates inside the near-wall layer are obtained from algebraic equations. Fully developed turbulent channel and pipe flows are solved using a finite element method. The computational results compare favorably with experimental data. It is also shown that the turbulence model can resolve the overshoot phenomena of the turbulent kinetic energy and the dissipation rate in the region very close to the wall.

Kim, S.-W.↗

NASA NTRS1990

A dynamic subgrid-scale eddy viscosity model

One major drawback of the eddy viscosity subgrid-scale stress models used in large-eddy simulations is their inability to represent correctly with a single universal constant different turbulent field in rotating or sheared flows, near solid walls, or in transitional regimes. In the present work, a new eddy viscosity model is presented which alleviates many of these drawbacks. The model coefficient is computed dynamically as the calculation progresses rather than input a priori. The model is based on an algebraic identity (Germano 1990) between the subgrid-scale stresses at two different filtered levels and the resolved turbulent stresses. The subgrid-scale stresses obtained using the proposed model vanish in laminar flow and at a solid boundary, and have the correct asymptotic behavior in the near-wall region of a turbulent boundary layer. The results of large-eddy simulations of transitional and turbulent channel flow that use the proposed model are in good agreement with the direct simulation data.

Germano, Massimo↗

NASA NTRS1999

Low Density Parity Check Codes Based on Finite Geometries: A Rediscovery and More

Low density parity check (LDPC) codes with iterative decoding based on belief propagation achieve astonishing error performance close to Shannon limit. No algebraic or geometric method for constructing these codes has been reported and they are largely generated by computer search. As a result, encoding of long LDPC codes is in general very complex. This paper presents two classes of high rate LDPC codes whose constructions are based on finite Euclidean and projective geometries, respectively. These classes of codes a.re cyclic and have good constraint parameters and minimum distances. Cyclic structure adows the use of linear feedback shift registers for encoding. These finite geometry LDPC codes achieve very good error performance with either soft-decision iterative decoding based on belief propagation or Gallager's hard-decision bit flipping algorithm. These codes can be punctured or extended to obtain other good LDPC codes. A generalization of these codes is also presented.

Kou, Yu↗

NASA NTRS2001

Using EEG To Detect and Monitor Mental Fatigue

This project aims to develop EEG-based methods for detecting and monitoring mental fatigue. Mental fatigue poses a serious risk, even when performance is not apparently degraded. When such fatigue is associated with sustained performance of a single type of cognitive task it may be related to the metabolic energy required for sustained activation of cortical areas specialized for that task. The objective of this study was to adapt EEG to monitor cortical energy over a long period of performance of a cognitive task. Multielectrode event related potentials (ERPs) were collected every 15 minutes in nine subjects who performed a mental arithmetic task (algebraic sum of four randomly generated negative or positive digits). A new problem was presented on a computer screen 0.5 seconds after each response; some subjects endured for as long as three hours. ERPs were transformed to a quantitative measure of scalp electrical field energy. The average energy level at electrode P3 (near the left angular gyrus), 100-300 msec latency, was compared over the series of ERPs. For most subjects, scalp energy density at P3 gradually fell over the period of task performance and dramatically increased just before the subject was unable to continue the task. This neural response can be simulated for individual subjects using, a differential equation model in which it is assumed that the mental arithmetic task requires a commitment of metabolic energy that would otherwise be used for brain activities that are temporarily neglected. Their cumulative neglect eventually requires a reallocation of energy away from the mental arithmetic task.

Montgomery, Leslie↗

NASA NTRS2009

Aerothermal Testing for Project Orion Crew Exploration Vehicle

The Project Orion Crew Exploration Vehicle aerothermodynamic experimentation strategy, as it relates to flight database development, is reviewed. Experimental data has been obtained to both validate the computational predictions utilized as part of the database and support the development of engineering models for issues not adequately addressed with computations. An outline is provided of the working groups formed to address the key deficiencies in data and knowledge for blunt reentry vehicles. The facilities utilized to address these deficiencies are reviewed, along with some of the important results obtained thus far. For smooth wall comparisons of computational convective heating predictions against experimental data from several facilities, confidence was gained with the use of algebraic turbulence model solutions as part of the database. For cavities and protuberances, experimental data is being used for screening various designs, plus providing support to the development of engineering models. With the reaction-control system testing, experimental data were acquired on the surface in combination with off-body flow visualization of the jet plumes and interactions. These results are being compared against predictions for improved understanding of aftbody thermal environments and uncertainties.

Berry, Scott A.↗

DOE OSTI2017

Numerical Multilevel Upscaling for Incompressible Flow in Reservoir Simulation: An Element-Based Algebraic Multigrid (AMGe) Approach

Here, we study the application of a finite element numerical upscaling technique to the incompressible two-phase porous media total velocity formulation. Specifically, an element-agglomeration-based algebraic multigrid (AMGe) technique with improved approximation properties is used, for the first time, to generate upscaled and accurate coarse systems for the reservoir simulation equations. The upscaling technique is applied to both the mixed system for velocity and pressure and to the hyperbolic transport equations, providing fully upscaled systems. By introducing additional degrees of freedom associated with nonplanar interfaces between agglomerates, the coarse velocity space has guaranteed approximation properties. The employed AMGe technique provides coarse spaces with desirable local mass conservation and stability properties analogous to the original pair of Raviart--Thomas and piecewise discontinuous polynomial spaces, resulting in strong mass conservation for the upscaled systems. Due to the guaranteed approximation properties and the generic nature of the AMGe method, recursive multilevel upscaling is automatically obtained. Furthermore, this technique works for both structured and unstructured meshes. Multiscale mixed finite elements exhibit accuracy for general unstructured meshes but do not in general lead to nested hierarchy of spaces. Multiscale multilevel mimetic finite differences generate nested spaces but lack the adaptivity of the flux representation on coarser levels that the proposed AMGe approach offers. Thus, the proposed approach can be seen as a rigorous bridge that merges the best properties of these two existing methods. The accuracy and stability of the studied multilevel AMGe upscaling technique is demonstrated on two challenging test cases.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1981

VNAP2: A Computer Program for Computation of Two-dimensional, Time-dependent, Compressible, Turbulent Flow

A computer program, VNAP2, for calculating turbulent (as well as laminar and inviscid), steady, and unsteady flow is presented. It solves the two dimensional, time dependent, compressible Navier-Stokes equations. The turbulence is modeled with either an algebraic mixing length model, a one equation model, or the Jones-Launder two equation model. The geometry may be a single or a dual flowing stream. The interior grid points are computed using the unsplit MacCormack scheme. Two options to speed up the calculations for high Reynolds number flows are included. The boundary grid points are computed using a reference plane characteristic scheme with the viscous terms treated as source functions. An explicit artificial viscosity is included for shock computations. The fluid is assumed to be a perfect gas. The flow boundaries may be arbitrary curved solid walls, inflow/outflow boundaries, or free jet envelopes. Typical problems that can be solved concern nozzles, inlets, jet powered afterbodies, airfoils, and free jet expansions. The accuracy and efficiency of the program are shown by calculations of several inviscid and turbulent flows. The program and its use are described completely, and six sample cases and a code listing are included.

Cline, M. C.↗

DOE OSTI2026

Symmetry dilemmas in quantum computing for chemistry: A comprehensive analysis

Symmetry adaptation, universality, and gate efficiency are central but often competing requirements in quantum algorithms for electronic structure and many-body physics. For example, fully symmetry-adapted universal operator pools typically generate long and deep quantum circuits; gate-efficient universal operator pools generally break symmetries; and gate-efficient, fully symmetry-adapted operator pools may not be universal. In this work, we analyze such symmetry dilemmas both theoretically and numerically. On the theory side, we prove that the popular, gate-efficient operator pool consisting of singlet spin-adapted singles and perfect-pairing doubles is not universal when spatial symmetry is enforced. To demonstrate the strengths and weaknesses of the three types of pools, we perform numerical simulations using an adaptive algorithm paired with operator pools that are (i) fully symmetry-adapted and universal, (ii) fully symmetry-adapted and non-universal, and (iii) breaking a single symmetry and universal. Our numerical simulations encompass three physically relevant scenarios in which the target state is (i) the global ground state, (ii) the ground state crossed by a state differing in multiple symmetry properties, and (iii) the ground state crossed by a state differing in a single symmetry property. Our results show when symmetry-breaking but universal pools can be used safely, when enforcing at least one distinguishing symmetry suffices, and when a particular symmetry must be rigorously preserved to avoid variational collapse. Together, the formal and numerical analyses provide a practical guide for designing and benchmarking symmetry-adapted operator pools that balance universality, resource requirements, and robust state targeting in quantum simulations for chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

The modified equation approach to the stability and accuracy analysis of finite-difference methods

The stability and accuracy of finite-difference approximations to simple linear partial differential equations are analyzed by studying the modified partial differential equation. Aside from round-off error, the modified equation represents the actual partial differential equation solved when a numerical solution is computed using a finite-difference equation. The modified equation is derived by first expanding each term of a difference scheme in a Taylor series and then eliminating time derivatives higher than first order by certain algebraic manipulations. The connection between 'heuristic' stability theory based on the modified equation approach and the von Neumann (Fourier) method is established. In addition to the determination of necessary and sufficient conditions for computational stability, a truncated version of the modified equation can be used to gain insight into the nature of both dissipative and dispersive errors.

Warming, R. F.↗

NASA NTRS2013

Shape and Stress Sensing of Multilayered Composite and Sandwich Structures Using an Inverse Finite Element Method

The marked increase in the use of composite and sandwich material systems in aerospace, civil, and marine structures leads to the need for integrated Structural Health Management systems. A key capability to enable such systems is the real-time reconstruction of structural deformations, stresses, and failure criteria that are inferred from in-situ, discrete-location strain measurements. This technology is commonly referred to as shape- and stress-sensing. Presented herein is a computationally efficient shape- and stress-sensing methodology that is ideally suited for applications to laminated composite and sandwich structures. The new approach employs the inverse Finite Element Method (iFEM) as a general framework and the Refined Zigzag Theory (RZT) as the underlying plate theory. A three-node inverse plate finite element is formulated. The element formulation enables robust and efficient modeling of plate structures instrumented with strain sensors that have arbitrary positions. The methodology leads to a set of linear algebraic equations that are solved efficiently for the unknown nodal displacements. These displacements are then used at the finite element level to compute full-field strains, stresses, and failure criteria that are in turn used to assess structural integrity. Numerical results for multilayered, highly heterogeneous laminates demonstrate the unique capability of this new formulation for shape- and stress-sensing.

Cerracchio, Priscilla↗

DOE OSTI2023

Automatic Code Generation for High-Performance Graph Algorithms

Graph problems are common across fields of scientific computing and social sciences. However, despite their importance, implementing graph algorithms effectively on modern computing systems is a challenging task that requires significant programming effort and generally results in customized implementations. Current computing and memory hierarchies are not architected for irregular computations resulting in challenges for graph algorithms to achieve high performance on those architectures. In this paper, we present GraphX, a novel compiler framework and DSL designed to simplify the development of efficient graph algorithms and achieve high performance on modern computing systems. GraphX consists of a DSL for efficient implementation of graph algorithms, various optimizations, such as support for sparse linear algebra and workspace transformations, optimized graph primitives, including semiring and masking, and a high-performance code generation engine. Using GraphX, users can implement graph algorithms using a semantically-rich language with graph-oriented operators. GraphX uses these semantics to automatically generate efficient code for target architectures, increasing performance and portability across architectures. The composable nature of GraphX makes it possible to extend the set of optimizations and architectures without modifying the source code. We demonstrate GraphX outperforms state-of-the-art graph libraries, such as LAGraph, up to $3.7 speedup in semiring operations, $2.19 speedup in an important sparse computational kernel, and $9.05 speedup in graph processing algorithms.

compiler, graph algorithms, semiring, masking, wor↗

NASA NTRS1991

Turbulent flow calculations using unstructured and adaptive meshes

A method of efficiently computing turbulent compressible flow over complex two dimensional configurations is presented. The method makes use of fully unstructured meshes throughout the entire flow field, thus enabling the treatment of arbitrarily complex geometries and the use of adaptive meshing techniques throughout both viscous and inviscid regions of the flow field. Mesh generation is based on a locally mapped Delaunay technique in order to generate unstructured meshes with highly-stretched elements in the viscous regions. The flow equations are discretized using a finite element Navier-Stokes solver, and rapid convergence to steady-state is achieved using an unstructured multigrid algorithm. Turbulence modeling is performed using an inexpensive algebraic model, implemented for use on unstructured and adaptaive meshes. Compressible turbulent flow solutions about multiple-element airfoil geometries are computed and compared with expeirmental data.

Mavriplis, Dimitri J.↗

NASA NTRS1990

Turbulent flow calculations using unstructured and adaptive meshes

A method of efficiently computing turbulent compressible flow over complex two dimensional configurations is presented. The method makes use of fully unstructured meshes throughout the entire flow-field, thus enabling the treatment of arbitrarily complex geometries and the use of adaptive meshing techniques throughout both viscous and inviscid regions of flow-field. Mesh generation is based on a locally mapped Delaunay technique in order to generate unstructured meshes with highly-stretched elements in the viscous regions. The flow equations are discretized using a finite element Navier-Stokes solver, and rapid convergence to steady-state is achieved using an unstructured multigrid algorithm. Turbulence modeling is performed using an inexpensive algebraic model, implemented for use on unstructured and adaptive meshes. Compressible turbulent flow solutions about multiple-element airfoil geometries are computed and compared with experimental data.

Mavriplis, Dimitri J.↗

NASA NTRS1984

GCKP84--General Chemical Kinetics Code for Gas-Phase Flow and Batch Processes Including Heat Transfer Effects

A general chemical kinetics code is described for complex, homogeneous ideal gas reactions in any chemical system. The main features of the GCKP84 code are flexibility, convenience, and speed of computation for many different reaction conditions. The code, which replaces the GCKP code published previously, solves numerically the differential equations for complex reaction in a batch system or one dimensional inviscid flow. It also solves numerically the nonlinear algebraic equations describing the well stirred reactor. A new state of the art numerical integration method is used for greatly increased speed in handling systems of stiff differential equations. The theory and the computer program, including details of input preparation and a guide to using the code are given.

David A Bittker↗

NASA NTRS1990

Constraint treatment techniques and parallel algorithms for multibody dynamic analysis

Computational procedures for kinematic and dynamic analysis of three-dimensional multibody dynamic (MBD) systems are developed from the differential-algebraic equations (DAE's) viewpoint. Constraint violations during the time integration process are minimized and penalty constraint stabilization techniques and partitioning schemes are developed. The governing equations of motion, a two-stage staggered explicit-implicit numerical algorithm, are treated which takes advantage of a partitioned solution procedure. A robust and parallelizable integration algorithm is developed. This algorithm uses a two-stage staggered central difference algorithm to integrate the translational coordinates and the angular velocities. The angular orientations of bodies in MBD systems are then obtained by using an implicit algorithm via the kinematic relationship between Euler parameters and angular velocities. It is shown that the combination of the present solution procedures yields a computationally more accurate solution. To speed up the computational procedures, parallel implementation of the present constraint treatment techniques, the two-stage staggered explicit-implicit numerical algorithm was efficiently carried out. The DAE's and the constraint treatment techniques were transformed into arrowhead matrices to which Schur complement form was derived. By fully exploiting the sparse matrix structural analysis techniques, a parallel preconditioned conjugate gradient numerical algorithm is used to solve the systems equations written in Schur complement form. A software testbed was designed and implemented in both sequential and parallel computers. This testbed was used to demonstrate the robustness and efficiency of the constraint treatment techniques, the accuracy of the two-stage staggered explicit-implicit numerical algorithm, and the speed up of the Schur-complement-based parallel preconditioned conjugate gradient algorithm on a parallel computer.

Chiou, Jin-Chern↗

DOE OSTI2024

Qutrit circuits and algebraic relations: A pathway to efficient spin-1 Hamiltonian simulation

Quantum information processing has witnessed significant advancements through the application of qubit-based techniques within universal gate sets. Recently, exploration beyond the qubit paradigm to d -dimensional quantum units or qudits has opened new avenues for improving computational efficiency. This paper delves into the qudit-based approach, particularly addressing the challenges presented in the high-fidelity implementation of qudit-based circuits due to increased complexity. As an innovative approach towards enhancing qudit circuit fidelity, we explore algebraic relations, such as the Yang-Baxter-like turnover equation, which may enable circuit compression and optimization. The paper introduces the turnover relation for the three-qutrit time propagator and its potential use in reducing circuit depth. We further investigate whether this relation can be generalized for higher-dimensional quantum circuits, including a focused study on the one-dimensional spin-1 Heisenberg model. Our paper outlines both rigorous and numerically efficient approaches to potentially achieve this generalization, providing a foundation for further explorations in the field of qudit-based quantum computing.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Qutrit Circuits and Algebraic Relations: A Pathway to Efficient Spin-1 Hamiltonian Simulation

Quantum information processing has witnessed significant advancements through the application of qubit- based techniques within universal gate sets. Recently, exploration beyond the qubit paradigm to d-dimensional quantum units or qudits has opened new avenues for improving computational efficiency. This paper delves into the qudit-based approach, particularly addressing the challenges presented in the high-fidelity implementation of qudit-based circuits due to increased complexity. As an innovative approach towards enhancing qudit circuit fidelity, we explore algebraic relations, such as the Yang-Baxter-like turnover equation, which may enable circuit compression and optimization. The paper introduces the turnover relation for the three-qutrit time propagator and its potential use in reducing circuit depth. We further investigate whether this relation can be generalized for higher-dimensional quantum circuits, including a focused study on the one-dimensional spin-1 Heisenberg model. Our paper outlines both rigorous and numerically efficient approaches to potentially achieve this generalization, providing a foundation for further explorations in the field of qudit-based quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗