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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 343 records · Page 19

The application of cost averaging techniques to robust control of the benchmark problem

A method is presented for the synthesis of robust controllers for linear time invariant systems with parameterized uncertainty structures. The method involves minimizing the average quadratic (H2) cost over the parameterized system. Bonded average cost implies stability over the set of systems. The average cost functional is minimized to derive robust fixed-order dynamic compensators. The robustness properties of these controllers are demonstrated on the sample problem.

Hagood, Nesbitt W.↗

Response-coefficient method for heat-conduction transients with time-dependent inputs

A theoretical overview of the response coefficient method for heat conduction transients with time-dependent input forcing functions is presented with a number of illustrative applications. The method may be the most convenient and economical if the same problem is to be solved many times with different input-time histories or if the solution time is relatively long. The method is applicable to a wide variety of problems, including irregular geometries, position-dependent boundary conditions, position-dependent physical properties, and nonperiodic irregular input histories. Nonuniform internal energy generation rates within the structure can also be handled by the method. The area of interest is long-time solutions, in which initial condition is unimportant, and not the early transient period. The method can be applied to one dimensional problems in cartesian, cylindrical, and spherical coordinates as well as to two dimensional problems in cartesian and cylindrical coordinates.

Ceylan, Tamer↗

Efficient Planning of Wind-Optimal Routes in North Atlantic Oceanic Airspace

The North Atlantic oceanic airspace (NAT) is crossed daily by more than a thousand flights, which are greatly affected by strong jet stream air currents. Several studies devoted to generating wind-optimal (WO) aircraft trajectories in the NAT demonstrated great efficiency of such an approach for individual flights. However, because of the large separation norms imposed in the NAT, previously proposed WO trajectories induce a large number of potential conflicts. Much work has been done on strategic conflict detection and resolution (CDR) in the NAT. The work presented here extends previous methods and attempts to take advantage of the NAT traffic structure to simplify the problem and improve the results of CDR. Four approaches are studied in this work: 1) subdividing the existing CDR problem into sub-problems of smaller sizes, which are easier to handle; 2) more efficient data reorganization within the considered time period; 3) problem localization, i.e. concentrating the resolution effort in the most conflicted regions; 4) applying CDR to the pre-tactical decision horizon (a couple of hours in advance). Obtained results show that these methods efficiently resolve potential conflicts at the strategic and pre-tactical levels by keeping the resulting trajectories close to the initial WO ones.

Rodionova, Olga↗

Nonlinear Homogenization of Finitely Deformed Viscoelastic-Viscoplastic Composites Using Mechanics of Structure Genome

The objective of this paper is to develop a micromechanics approach to homogenizing finitely deformed viscoelastic-viscoplastic composites using the mechanics of structure genome. The incremental constitutive relation for glassy polymers, formulated in the spatial configuration, is implemented in the present approach.This involves (1) pulling-back the constitutive model to the material configuration and (2)choosing the deformation gradient tensor and the first Piola–Kirchhoff stress tensor as the strain and the stress measures during homogenization, respectively. An Euler–Newton predictor–corrector method is developed for homogenization. Each step involves formulating a variational statement using the mechanics of structure genome, discretizing the statement in a finite-dimensional space, and solving the problem using an Euler/multilevel Newton method. The present approach is demonstrated by homogenizing fiber- and particle-reinforced composites undergoing uniaxial, biaxial, or shear deformation, at different stain rates.

Multi-scale modeling, High Strain Composites, Visc↗

Rapid Inspection of Aerospace Structures - Is It Autonomous Yet?

The trend to increase the usage of aging aircraft added a great deal of urgency to the ongoing need for low-cost, rapid, simple-to-operate, reliable and efficient NDE methods for detection and characterization of flaws in aircraft structures. In many cases, the problem of inspection is complex due to the limitation of current technology and the need to disassemble aircraft structures and testing them in lab conditions. To overcome these limitations, reliable field inspection tools are being developed for rapid NDE of large and complex-shape structures, that can operate at harsh, hostal and remote conditions with minimum human interface. In recent years, to address the need for rapid inspection in field conditions, numerous portable scanners were developed using NDE methods, including ultrasonics, shearography, thermography. This paper is written with emphasis on ultrasonic NDE scanners, their evolution and the expected direction of growth.

Crawling System autonomous robotics↗

Position Papers for Inverse Methods for Complex Systems under Uncertainty Workshop

The ability to solve inverse problems – inferring unknown parameters, structures, or states of a system from observed data – is essential for advancing scientific discovery and innovation capabilities for the DOE mission. Basic research needs and challenges are particularly acute in emerging areas such as the interactive, data-driven, modeling and simulation of digital twins; decision support for experiments at DOE scientific user facilities; and for other complex systems and workflows. Inverse problems are at the heart of understanding and controlling complex systems due to factors such as observational data with varying modalities and fidelities, inherent uncertainties in physical measurements and numerical models, and the computational demands of rapid and high-fidelity simulations. The convergence of recent scientific computing trends – scientific machine learning, artificial intelligence, and computing advances such as exascale computing – is creating unprecedented opportunities. These advancements offer the potential to revolutionize how we approach inverse problems to extract actionable insights with the required level of accuracy and computational efficiency. This workshop and the Call for Position Papers are vital steps in bringing together experts to collectively explore and identify the new computational and mathematical directions needed in inverse methods for complex systems under uncertainty.

97 MATHEMATICS AND COMPUTING↗

Efficient Space–Time Reduced Order Model for Linear Dynamical Systems in Python Using Less than 120 Lines of Code

A classical reduced order model (ROM) for dynamical problems typically involves only the spatial reduction of a given problem. Recently, a novel space–time ROM for linear dynamical problems has been developed [Choi et al., Space–tume reduced order model for large-scale linear dynamical systems with application to Boltzmann transport problems, Journal of Computational Physics, 2020], which further reduces the problem size by introducing a temporal reduction in addition to a spatial reduction without much loss in accuracy. The authors show an order of a thousand speed-up with a relative error of less than 10−5 for a large-scale Boltzmann transport problem. In this work, we present for the first time the derivation of the space–time least-squares Petrov–Galerkin (LSPG) projection for linear dynamical systems and its corresponding block structures. Utilizing these block structures, we demonstrate the ease of construction of the space–time ROM method with two model problems: 2D diffusion and 2D convection diffusion, with and without a linear source term. For each problem, we demonstrate the entire process of generating the full order model (FOM) data, constructing the space–time ROM, and predicting the reduced-order solutions, all in less than 120 lines of Python code. We compare our LSPG method with the traditional Galerkin method and show that the space–time ROMs can achieve O(10−3) to O(10−4) relative errors for these problems. Depending on parameter–separability, online speed-ups may or may not be achieved. For the FOMs with parameter–separability, the space–time ROMs can achieve O(10) online speed-ups. Finally, we present an error analysis for the space–time LSPG projection and derive an error bound, which shows an improvement compared to traditional spatial Galerkin ROM methods.

97 MATHEMATICS AND COMPUTING↗

Leveraging operator learning to accelerate convergence of the preconditioned conjugate gradient method

We propose a new deflation strategy to accelerate the convergence of the preconditioned conjugate gradient (PCG) method for solving parametric large-scale linear systems of equations. Unlike traditional deflation techniques that rely on eigenvector approximations or recycled Krylov subspaces, we generate the deflation subspaces using operator learning, specifically the Deep Operator Network (DeepONet). To this aim, we introduce two complementary approaches for assembling the deflation operators. The first approach approximates near-null space vectors of the discrete PDE operator using the basis functions learned by the DeepONet. The second approach directly leverages solutions predicted by the DeepONet. To further enhance convergence, we also propose several strategies for prescribing the sparsity pattern of the deflation operator. Here, a comprehensive set of numerical experiments encompassing steady-state, time-dependent, scalar, and vector-valued problems posed on both structured and unstructured geometries is presented and demonstrates the effectiveness of the proposed DeepONet-based deflated PCG method, as well as its generalization across a wide range of model parameters and problem resolutions.

Deflation↗

Parameter identification methods for improving structural dynamic models

There is an increasing need to develop Parameter Identification methods for improving structural dynamic models, based on the inability of engineers to produce mathematical models which correlate with experimental data. This research explores the efficiency of combining Component Mode Synthesis (substructuring) methods with Parameter Identification procedures in order to improve analytical modeling of structural components and their connections. Improvements are computed in terms of physical stiffness and damping parameters in order that the physical characteristics of the model can be better understood. Connections involving both viscous and friction damping are investigated. Substructuring methods are utilized to reduce the complexity of the identification problem. Component and inter-component structural connection properties are evaluated and identified independently, thus simplifying the identification problem. It is shown that modal test data is effective for identifying modeling problems associated with structural components, and for determining the stiffness and damping properties of intercomponent connections. In general, Parameter Identification is improved when greater quantities of experimental data are available.

Lawrence, Charles↗

U.S. National Congress of Applied Mechanics, 7th, University of Colorado, Boulder, Colo., June 3-7, 1974, Proceedings

A series of experimental, theoretical, and review papers dealing with various aspects of applied mechanics, including structural analysis, mathematical methods, and fluid dynamics. Some of the topics covered are: the direct formulation of two-dimensional mechanics problems, the mechanical aspects of athletics, Laplace's tidal equations, cochlear mechanics, dynamic constitutive equations, optical techniques for the determination of displacement and strain fields, chemical and biochemical problems involving nonlinear diffusion processes, thermal stresses, the rotating rod viscometer, finite-element methods in plasticity, ships of minimum resistance, and wide-band random vibration of structures. Individual items are announced in this issue.

Source record↗

Application of Newton modified barrier method (NMBM) to structural optimization

This paper presents the application of the NMBM to obtain a minimum weight structure with constraints on displacements and minimum sizes. The solution to the problem is obtained via minimizing the Modified Barrier Function (MBF) at each step by using the Newton Method and updating Lagrange multipliers. The Lagrange multipliers are updated by using the value of the constraints at the minimum of the MBF. Three truss problems with a different number of design variables are solved. The convergence to the minimum weight design was found to be monotonic and the algorithm is potentially robust for solving problems with a large number of design variables.

Khot, N. S.↗

Reduction of the molecular hamiltonian matrix using quantum community detection

Abstract Quantum chemistry is interested in calculating ground and excited states of molecular systems by solving the electronic Schrödinger equation. The exact numerical solution of this equation, frequently represented as an eigenvalue problem, remains unfeasible for most molecules and requires approximate methods. In this paper we introduce the use of Quantum Community Detection performed using the D-Wave quantum annealer to reduce the molecular Hamiltonian matrix in Slater determinant basis without chemical knowledge. Given a molecule represented by a matrix of Slater determinants, the connectivity between Slater determinants (as off-diagonal elements) is viewed as a graph adjacency matrix for determining multiple communities based on modularity maximization. A gauge metric based on perturbation theory is used to determine the lowest energy cluster. This cluster or sub-matrix of Slater determinants is used to calculate approximate ground state and excited state energies within chemical accuracy. The details of this method are described along with demonstrating its performance across multiple molecules of interest and bond dissociation cases. These examples provide proof-of-principle results for approximate solution of the electronic structure problem using quantum computing. This approach is general and shows potential to reduce the computational complexity of post-Hartree–Fock methods as future advances in quantum hardware become available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Protein Conformational States—A First Principles Bayesian Method

Automated identification of protein conformational states from simulation of an ensemble of structures is a hard problem because it requires teaching a computer to recognize shapes. We adapt the naïve Bayes classifier from the machine learning community for use on atom-to-atom pairwise contacts. The result is an unsupervised learning algorithm that samples a ‘distribution’ over potential classification schemes. We apply the classifier to a series of test structures and one real protein, showing that it identifies the conformational transition with >95% accuracy in most cases. A nontrivial feature of our adaptation is a new connection to information entropy that allows us to vary the level of structural detail without spoiling the categorization. This is confirmed by comparing results as the number of atoms and time-samples are varied over 1.5 orders of magnitude. Further, the method’s derivation from Bayesian analysis on the set of inter-atomic contacts makes it easy to understand and extend to more complex cases.

97 MATHEMATICS AND COMPUTING↗

Evaluation of an improved finite-element thermal stress calculation technique

A procedure for generating accurate thermal stresses with coarse finite element grids (Ojalvo's method) is described. The procedure is based on the observation that for linear thermoelastic problems, the thermal stresses may be envisioned as being composed of two contributions; the first due to the strains in the structure which depend on the integral of the temperature distribution over the finite element and the second due to the local variation of the temperature in the element. The first contribution can be accurately predicted with a coarse finite-element mesh. The resulting strain distribution can then be combined via the constitutive relations with detailed temperatures from a separate thermal analysis. The result is accurate thermal stresses from coarse finite element structural models even where the temperature distributions have sharp variations. The range of applicability of the method for various classes of thermostructural problems such as in-plane or bending type problems and the effect of the nature of the temperature distribution and edge constraints are addressed. Ojalvo's method is used in conjunction with the SPAR finite element program. Results are obtained for rods, membranes, a box beam and a stiffened panel.

Camarda, C. J.↗

A vectorized Lanczos eigensolver for high-performance computers

The computational strategies used to implement a Lanczos-based-method eigensolver on the latest generation of supercomputers are described. Several examples of structural vibration and buckling problems are presented that show the effects of using optimization techniques to increase the vectorization of the computational steps. The data storage and access schemes and the tools and strategies that best exploit the computer resources are presented. The method is implemented on the Convex C220, the Cray 2, and the Cray Y-MP computers. Results show that very good computation rates are achieved for the most computationally intensive steps of the Lanczos algorithm and that the Lanczos algorithm is many times faster than other methods extensively used in the past.

Bostic, Susan W.↗

Psychological tools for knowledge acquisition

Knowledge acquisition is said to be the biggest bottleneck in the development of expert systems. The problem is getting the knowledge out of the expert's head and into a computer. In cognitive psychology, characterizing metal structures and why experts are good at what they do is an important research area. Is there some way that the tools that psychologists have developed to uncover mental structure can be used to benefit knowledge engineers? We think that the way to find out is to browse through the psychologist's toolbox to see what there is in it that might be of use to knowledge engineers. Expert system developers have relied on two standard methods for extracting knowledge from the expert: (1) the knowledge engineer engages in an intense bout of interviews with the expert or experts, or (2) the knowledge engineer becomes an expert himself, relying on introspection to uncover the basis of his own expertise. Unfortunately, these techniques have the difficulty that often the expert himself isn't consciously aware of the basis of his expertise. If the expert himself isn't conscious of how he solves problems, introspection is useless. Cognitive psychology has faced similar problems for many years and has developed exploratory methods that can be used to discover cognitive structure from simple data.

Rueter, Henry H.↗

General modeling methods

The benefits of structural dynamics modeling methods in aerospace structures are reviewed. Four major issues in structural dynamics modeling are discussed which encompass most of its subdisciplines: reduced order modeling, constraints in problems with large motions, computational strategies, and fundamental methods. Directions for future research in these areas are addressed.

Pinson, Larry D.↗

In Search of Grid Converged Solutions

Assessing solution error continues to be a formidable task when numerically solving practical flow problems. Currently, grid refinement is the primary method used for error assessment. The minimum grid spacing requirements to achieve design order accuracy for a structured-grid scheme are determined for several simple examples using truncation error evaluations on a sequence of meshes. For certain methods and classes of problems, obtaining design order may not be sufficient to guarantee low error. Furthermore, some schemes can require much finer meshes to obtain design order than would be needed to reduce the error to acceptable levels. Results are then presented from realistic problems that further demonstrate the challenges associated with using grid refinement studies to assess solution accuracy.

Lockard, David P.↗