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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Benders Decomposition Using Graph Modeling and Multi-Parametric Programming

Benders decomposition is a widely used method for solving large and structured optimization problems, but its performance is affected by the repeated solution of subproblems. We propose a flexible and modular algorithmic framework for accelerating Benders decomposition. Specifically, we express the problem structure by using a graph-theoretic modeling abstraction in which nodes represent optimization subproblems and edges represent connectivity between subproblems. A key innovation of our approach is that we embed multiparametric programming (mp) surrogates for node subproblems, which maps the exact analytical map of the subproblem solution space. The use of mp surrogates allows us to replace subproblem solves with fast look-ups and function evaluations for primal and dual variables during the iterative Benders process. We formally show the equivalence between classical Benders cuts and those derived from the mp solution. We implement our framework in the open-source PlasmoBenders.jl software package. To demonstrate the capabilities of the proposed framework, we apply it to a two-stage stochastic programming problem, which aims to make optimal capacity expansion decisions under market uncertainty. We evaluate both single-cut and multicut variants of Benders decomposition and show that the use of mp surrogates achieves substantial speedups in subproblem solve time, while preserving the convergence guarantees of Benders decomposition. We highlight advantages in solution analysis and interpretability that is enabled by mp critical region tracking; specifically, we show that these reveal how decisions evolve geometrically across the Benders search. Our results aim to demonstrate that combining surrogate modeling with graph modeling offers a promising and extensible foundation for structure-exploiting decomposition. In addition, by decomposing the problem into more tractable subproblems, the proposed approach also aims to overcome scalability issues of mp. Finally, the use of mp surrogates provides a unifying and modular optimization framework that enables the representation of heterogeneous node subproblems as modeling objects with a homogeneous structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set

We have used diffusion Monte Carlo (DMC) to perform calculations on the L7 benchmark set. DMC is a stochastic numerical integration scheme in real-space and part of a larger set of quantum Monte Carlo methods. The L7 set was designed to test the ability of electronic structure methods to include dispersive interactions. While the agreement between DMC and quantum-chemical state-of-the-art methods is excellent for some of the structures, there are significant differences in others. In contrast to wavefunction-based quantum chemical methods, DMC is a first-principle many-body method with the many-body wavefunction evolving in real space. It includes explicitly all electron–electron interactions and is relatively insensitive to the size of the basis set.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Transferability of data-driven, many-body models for CO 2 simulations in the vapor and liquid phases

Here, extending on the previous work by Riera et al. [J. Chem. Theory Comput. 16, 2246–2257 (2020)], we introduce a second generation family of data-driven many-body MB-nrg models for CO 2 and systematically assess how the strength and anisotropy of the CO 2 –CO 2 interactions affect the models’ ability to predict vapor, liquid, and vapor–liquid equilibrium properties. Building upon the many-body expansion formalism, we construct a series of MB-nrg models by fitting one-body and two-body reference energies calculated at the coupled cluster level of theory for large monomer and dimer training sets. Advancing from the first generation models, we employ the charge model 5 scheme to determine the atomic charges and systematically scale the two-body energies to obtain more accurate descriptions of vapor, liquid, and vapor–liquid equilibrium properties. Challenges in model construction arise due to the anisotropic nature and small magnitude of the interaction energies in CO 2 , calling for the necessity of highly accurate descriptions of the multidimensional energy landscape of liquid CO 2 . These findings emphasize the key role played by the training set quality in the development of transferable, data-driven models, which, accurately representing high-dimensional many-body effects, can enable predictive computer simulations of molecular fluids across the entire phase diagram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

An improved method for optimum design of mechanically and thermally loaded structures

The problem of obtaining the minimum-mass design of mechanically and thermally loaded structures is presented. The special nature of thermal stresses with regard to their response to resizing of structural members is discussed. It is shown that conventional resizing procedures which are based on driving the total stress to its allowable value may be inefficient when the thermal stress in an element makes up a significant fraction of the total stress. An improved algorithm for resizing of structures subjected to thermal stresses is treated. In this algorithm the mechanical portions of the stresses were driven to their maximum allowable values. The thermal stresses were used to adjust the allowable values of the mechanical stresses. The new algorithm was exercised for a number of truss structures of varying complexity and compared with ordinary fully stressed design.

Adelman, H. M.↗
NASA NTRS1986

Sensitivity analysis of discrete structural systems

Methods for calculating sensitivity derivatives for discrete structural systems are surveyed, primarily covering literature published during the past two decades. Methods are described for calculating derivatives of static displacements and stresses, eigenvalues and eigenvectors, transient structural response, and derivatives of optimum structural designs with respect to problem parameters. The survey is focused on publications developed in nonstructural fields such as electronics, controls, and physical chemistry which are directly applicable to structural problems. Most notable among the nonstructural-based methods are the adjoint variable technique from control theory, and the Green's function and FAST methods from physical chemistry.

Adelman, H. M.↗
NASA NTRS1987

Design of Fiber Composites for Structural Durability

Hygrothermomechanical effects analyzed by computers. Computational methodology developed and available at NASA Lewis Research Center to design and analyze fiber-composite structures subjected to complex hygrothermomechanical environments. Includes composite mechanics and advanced finited-element structural-analysis methods. Methodology applied to such problems as progressive fracture of composite material, design of composite material for cycle fatigue combined with hot and wet conditions, and general composite-laminate configurations.

Chamis, Christos C.↗
NASA NTRS1989

Voids in the Ly-alpha forest

The general issue of using the Ly-alpha absorbers in quasar spectra as tracers of the large-scale matter distribution is discussed, emphasizing complications due to evolutionary effects and line blending. Then, a novel method of statistical analysis of the line data appropriate for studying large-scale structure is described. This method circumvents the problem of line blending by truncating the interval distribution at the low end. It also explicitly takes z-dependent effects into account. As an example, the method is applied to an 18-quasar spectrum sample of 417 lines.

Duncan, Robert C.↗
NASA NTRS1990

Robust eigensystem assignment for state estimators using second-order models

A novel design of a state estimator is presented using second-order dynamic equations of mechanical systems. The eigenvalues and eigenvectors of the state estimator are assigned by solving the second-order eigenvalue problem of the structural system. Three design method for the state estimator are given in this paper. The first design method uses collocated sensors to measure the desired signals and their derivatives. The second design method uses prefilters to shift signal phases to obtain estimates of the signal derivatives. These two methods are used to build a second-order state estimator model. The third design method is the conventional one which converts a typical second-order dynamic model to a first-order model, and then builds a state estimator based on the first-order model. It is shown that all the three designs for state estimation are similar. A numerical example representing a large space structure is given for illustration of the design methods presented in this paper.

Juang, Jer-Nan↗
NASA NTRS1992

Structural system reliability calculation using a probabilistic fault tree analysis method

The development of a new probabilistic fault tree analysis (PFTA) method for calculating structural system reliability is summarized. The proposed PFTA procedure includes: developing a fault tree to represent the complex structural system, constructing an approximation function for each bottom event, determining a dominant sampling sequence for all bottom events, and calculating the system reliability using an adaptive importance sampling method. PFTA is suitable for complicated structural problems that require computer-intensive computer calculations. A computer program has been developed to implement the PFTA.

Torng, T. Y.↗
NASA NTRS1992

Radiative equilibrium in rapidly expanding shells

The equation of radiative equilibrium for rapidly expanding spherical shells including the special relativistic terms is discussed, and a temperature-correction procedure for the solution of this equation is given. The temperature-correction scheme combines a partial linearization approach with the approximate Lambda-operator iteration method. For some test problems, the temperature structures of atmospheres in radiative equilibrium in the Lagrangian frame are calculated. The effects of the velocity field on the temperature stratification and the luminosity are also discussed. We find that the temperature structure of a moving photosphere in radiative equilibrium in the Lagrangian frame differs significantly from that of a static photosphere and that, at least, all first-order terms, in particular the advection and aberration terms, have to be included consistently both in the radiative transfer and the energy equation in studies of supernovae atmospheres and other high-speed radiating flows.

Hauschildt, P. H.↗
NASA NTRS1994

Parallel aeroelastic computations for wing and wing-body configurations

The objective of this research is to develop computationally efficient methods for solving fluid-structural interaction problems by directly coupling finite difference Euler/Navier-Stokes equations for fluids and finite element dynamics equations for structures on parallel computers. This capability will significantly impact many aerospace projects of national importance such as Advanced Subsonic Civil Transport (ASCT), where the structural stability margin becomes very critical at the transonic region. This research effort will have direct impact on the High Performance Computing and Communication (HPCC) Program of NASA in the area of parallel computing.

Byun, Chansup↗
NASA NTRS1995

On the application of Chimera/unstructured hybrid grids for conjugate heat transfer

A hybrid grid system that combines the Chimera overset grid scheme and an unstructured grid method is developed to study fluid flow and heat transfer problems. With the proposed method, the solid structural region, in which only the heat conduction is considered, can be easily represented using an unstructured grid method. As for the fluid flow region external to the solid material, the Chimera overset grid scheme has been shown to be very flexible and efficient in resolving complex configurations. The numerical analyses require the flow field solution and material thermal response to be obtained simultaneously. A continuous transfer of temperature and heat flux is specified at the interface, which connects the solid structure and the fluid flow as an integral system. Numerical results are compared with analytical and experimental data for a flat plate and a C3X cooled turbine cascade. A simplified drum-disk system is also simulated to show the effectiveness of this hybrid grid system.

Kao, Kai-Hsiung↗
NASA NTRS1989

The 3-D inelastic analyses for computational structural mechanics

The 3-D inelastic analysis method is a focused program with the objective to develop computationally effective analysis methods and attendant computer codes for three-dimensional, nonlinear time and temperature dependent problems present in the hot section of turbojet engine structures. Development of these methods was a major part of the Hot Section Technology (HOST) program over the past five years at Lewis Research Center.

Hopkins, D. A.↗
NASA NTRS1993

Development and comparison of advanced reduced-basis methods for the transient structural analysis of unconstrained structures

The development of two advanced reduced-basis methods, the force derivative method and the Lanczos method, and two widely used modal methods, the mode displacement method and the mode acceleration method, for transient structural analysis of unconstrained structures is presented. Two example structural problems are studied: an undamped, unconstrained beam subject to a uniformly distributed load which varies as a sinusoidal function of time and an undamped high-speed civil transport aircraft subject to a normal wing tip load which varies as a sinusoidal function of time. These example problems are used to verify the methods and to compare the relative effectiveness of each of the four reduced-basis methods for performing transient structural analyses on unconstrained structures. The methods are verified with a solution obtained by integrating directly the full system of equations of motion, and they are compared using the number of basis vectors required to obtain a desired level of accuracy and the associated computational times as comparison criteria.

Mcgowan, David M.↗
DOE OSTI2023

Projection pursuit adaptation on polynomial chaos expansions

Here, the present work addresses the issue of accurate stochastic approximations in high-dimensional parametric space using tools from uncertainty quantification (UQ). The basis adaptation method and its accelerated algorithm in polynomial chaos expansions (PCE) were recently proposed to construct low-dimensional approximations adapted to specific quantities of interest (QoI). The present paper addresses one difficulty with these adaptations, namely their reliance on quadrature point sampling, which limits the reusability of potentially expensive samples. Projection pursuit (PP) is a statistical tool to find the “interesting” projections in high-dimensional data and thus bypass the curse-of-dimensionality. In the present work, we combine the fundamental ideas of basis adaptation and projection pursuit regression (PPR) to propose a novel method to simultaneously learn the optimal low-dimensional spaces and PCE representation from given data. While this projection pursuit adaptation (PPA) can be entirely data-driven, the constructed approximation exhibits mean-square convergence to the solution of an underlying governing equation and thus captures the supports and probability distributions associated with the physics constraints. The proposed approach is demonstrated on a borehole problem and a structural dynamics problem, demonstrating the versatility of the method and its ability to discover low-dimensional manifolds with high accuracy with limited data. In addition, the method can learn surrogate models for different quantities of interest while reusing the same data set.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

Multi Agent Reward Analysis for Learning in Noisy Domains

In many multi agent learning problems, it is difficult to determine, a priori, the agent reward structure that will lead to good performance. This problem is particularly pronounced in continuous, noisy domains ill-suited to simple table backup schemes commonly used in TD(lambda)/Q-learning. In this paper, we present a new reward evaluation method that allows the tradeoff between coordination among the agents and the difficulty of the learning problem each agent faces to be visualized. This method is independent of the learning algorithm and is only a function of the problem domain and the agents reward structure. We then use this reward efficiency visualization method to determine an effective reward without performing extensive simulations. We test this method in both a static and a dynamic multi-rover learning domain where the agents have continuous state spaces and where their actions are noisy (e.g., the agents movement decisions are not always carried out properly). Our results show that in the more difficult dynamic domain, the reward efficiency visualization method provides a two order of magnitude speedup in selecting a good reward. Most importantly it allows one to quickly create and verify rewards tailored to the observational limitations of the domain.

Tumer, Kagan↗
NASA NTRS1976

NASTRAN: User's Experiences

The application of NASTRAN to a wide variety of static and dynamic structural problems is discussed. The following topics are focused upon: (1) methods of analysis; (2) hydroelastic methods; (3) complete analysis of structures; (4) elements and material studies; (5) critical comparisons with other programs; and (6) pre- and post-processor operations.

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