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Results for “Structural Optimization”

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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Approximation of the optimal compensator for a large space structure

This paper considers the approximation of the optimal compensator for a Large Space Structure. The compensator is based upon a solution to the Linear Stochastic Quadratic Regulator problem. Colocation of sensors and actuators is assumed. A small gain analytical solution for the optimal compensator is obtained for a single input/single output system, i.e., certain terms in the compensator can be neglected for sufficiently small gain. The compensator is calculated in terms of the kernel to a Volterra integral operator using a Neumann series. The calculation of the compensator is based upon the C sub 0 semigroup for the infinite dimensional system. A finite dimensional approximation of the compensator is, therefore, obtained through analysis of the infinite dimensional compensator which is a compact operator.

Mackay, M. K.↗
DOE OSTI2019

Next-Generation Optimization under Uncertainty: Structure-Oriented Algorithms

With the advent of the smart grid, renewable technologies, and carbon emission programs, a key concern is the coordination of national infrastructures such as the electricity, natural gas, and water supply network systems. Anticipating and mitigating uncertainty of weather, demands, and contingencies in a more integrated environment is necessary to maximize resource efficiency and prevent cascading failures that can ultimately lead to catastrophic shortages of supplies. This project developed scalable algorithms for stochastic optimization capable of addressing extreme-scale problems (motivated by challenges in the design and operation of national infrastructures). Specifically, the project developed a new family of algorithms to solve continuous stochastic problems to local and global optimality as well as algorithms to solve mixed-integer convex and nonconvex stochastic programs. We developed supporting local and global convergence theory for these algorithms and implemented the algorithms in open-source software packages that can leverage high-performance computing architectures.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Sampling electronic structure quadratic unconstrained binary optimization problems (QUBOs) with Ocean and Mukai solvers

The most advanced D-Wave Advantage quantum annealer has 5000+ qubits, however, every qubit is connected to a small number of neighbors. As such, implementation of a fully-connected graph results in an order of magnitude reduction in qubit count. To compensate for the reduced number of qubits, one has to rely on special heuristic software such as qbsolv, the purpose of which is to decompose a large quadratic unconstrained binary optimization (QUBO) problem into smaller pieces that fit onto a quantum annealer. In this work, we compare the performance of the open-source qbsolv which is a part of the D-Wave Ocean tools and a new Mukai QUBO solver from Quantum Computing Inc. (QCI). The comparison is done for solving the electronic structure problem and is implemented in a classical mode (Tabu search techniques). The Quantum Annealer Eigensolver is used to map the electronic structure eigenvalue-eigenvector equation to a QUBO problem, solvable on a D-Wave annealer. We find that the Mukai QUBO solver outperforms the Ocean qbsolv with one to two orders of magnitude more accurate energies for all calculations done in the present work, both the ground and excited state calculations. This work stimulates the further development of software to assist in the utilization of modern quantum annealers.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Optimal matrix approximants in structural identification

Problems of model correlation and system identification are central in the design, analysis, and control of large space structures. Of the numerous methods that have been proposed, many are based on finding minimal adjustments to a model matrix sufficient to introduce some desirable quality into that matrix. In this work, several of these methods are reviewed, placed in a modern framework, and linked to other previously known ideas in computational linear algebra and optimization. This new framework provides a point of departure for a number of new methods which are introduced here. Significant among these is a method for stiffness matrix adjustment which preserves the sparsity pattern of an original matrix, requires comparatively modest computational resources, and allows robust handling of noisy modal data. Numerical examples are included to illustrate the methods presented herein.

Beattie, C. A.↗
NASA NTRS1993

An inverse method for computation of structural stiffness distributions of aeroelastically optimized wings

An inverse method has been developed to compute the structural stiffness properties of wings given a specified wing loading and aeroelastic twist distribution. The method directly solves for the bending and torsional stiffness distribution of the wing using a modal representation of these properties. An aeroelastic design problem involving the use of a computational aerodynamics method to optimize the aeroelastic twist distribution of a tighter wing operating at maneuver flight conditions is used to demonstrate the application of the method. This exercise verifies the ability of the inverse scheme to accurately compute the structural stiffness distribution required to generate a specific aeroelastic twist under a specified aeroelastic load.

Schuster, David M.↗
NASA NTRS1990

Shape optimization for maximum stability and dynamic stiffness

Any optimization of structures for maximum stability or for maximum dynamic stiffness deals with an eigenvalue problem. The goal of this optimization is to raise the lowest eigenvalue (or eigenvalues) of the problem to its highest (optimal) level at a constant volume of the structure. Likely the lowest eigenvalue may be either inherently multi-modal or it can become multi-modal as a result of the optimization process. The multimodeness introduces some ambiguity to the eigenvalue problem and make the optimization difficult to handle. Thus far, only the simplest cases of multi-modal structures have been effectively optimized using rather elaborate analytical methods. Numerous publications report design of a minimum volume structure with different eigenvalues constraints, in which, however, the modality of the problem is assumed a priori. The method presented here utilizes a multi-modal optimality criteria and allows for inclusion of an arbitrary number of buckling or vibrations modes which might influence the optimization process. The real multi-modality of the problem, that is the number of modes participating in the final optimal design is determined iteratively. Because of a natural use of the FEM technique the method is easy to program and might be helpful in design of large flexible space structures.

Szyszkowski, W.↗
NASA NTRS2015

A Case Study on the Application of a Structured Experimental Method for Optimal Parameter Design of a Complex Control System

This report documents a case study on the application of Reliability Engineering techniques to achieve an optimal balance between performance and robustness by tuning the functional parameters of a complex non-linear control system. For complex systems with intricate and non-linear patterns of interaction between system components, analytical derivation of a mathematical model of system performance and robustness in terms of functional parameters may not be feasible or cost-effective. The demonstrated approach is simple, structured, effective, repeatable, and cost and time efficient. This general approach is suitable for a wide range of systems.

Torres-Pomales, Wilfredo↗
DOE OSTI2018

A Systematic Approach to Offshore Wind Turbine Jacket Pre-Design and Optimization: Geometry, Cost, and Surrogate Structural Code Check Models

The main obstacles in preliminary design studies or optimization of jacket substructures for offshore wind turbines are high numerical expenses for structural code checks and simplistic cost assumptions. In order to create a basis for fast design evaluations, this article provides the following: firstly, a jacket model is proposed that covers topology and tube sizing with a limited set of design variables. Secondly, a cost model is proposed that goes beyond the simple and common mass-dependent approach. And thirdly, the issue of numerical efficiency is addressed by surrogate models both for fatigue and ultimate limit state code checks. In addition, this work shows an example utilizing all models. The outcome can be utilized for preliminary design studies and jacket optimization schemes and is suitable for scientific and industrial applications.

17 WIND ENERGY↗
DOE OSTI2025

HfZr_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-zirconium (Hf-Zr). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Zr. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

NbTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys niobium-titanium (Nb-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP), https://github.com/ORNL/ScalableWorkflow_VASP_Calculations. Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Nb and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

HfTi_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-titanium (Hf-Ti). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ti. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2026

TiV_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys titanium-vanadium (Ti-V). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Ti and V. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on Air Force HPC11 cluster using the VASP 6.5.1. Additional methodology and file structure information is available in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2025

HfTa_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-tantalum (Hf-Ta). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Ta. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect BCC lattice sites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,040 randomized atomic structures over 31 chemical compositions. Further methodological and structural information is contained in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Model for Characterization and Optimization of Spectrally Selective Structures to Reduce the Operating Temperature and Improve the Energy Yield of Photovoltaic Modules

Many existing commercially manufactured photovoltaic modules include a cover layer of glass, commonly coated with a single layer antireflection coating (ARC) to reduce reflection losses. As many common photovoltaic cells, including c-Si, CdTe, and CIGS, decrease in efficiency with increasing temperature, a more effective coating would increase reflection of sub-bandgap light while still acting as an antireflection coating for higher energy photons. The sub-bandgap reflection would reduce parasitic sub-bandgap absorption and therefore reduce operating temperature. This reduction under realistic outdoor conditions would lead to an increase in annual energy yield of a photovoltaic module beyond what is achieved by a single layer ARC. However, calculating the actual increase in energy yield provided by this approach is difficult without using time-consuming simulation. Here, we present a time-independent matrix model which can quickly determine the percentage change in annual energy yield of a module with a spectrally selective mirror by comparison to a baseline module with no mirror. The energy benefit is decomposed into a thermal component from temperature reduction and an optical component from increased transmission of light above the bandgap and therefore increased current generation. Time-independent matrix model calculations are based on real irradiance conditions that vary with geographic location and module tilt angle. The absolute predicted values of energy yield improvement from the model are within 0.1% of those obtained from combined ray-tracing and time-dependent finite-element simulations and compute 1000x faster. Uncertainty in the model result is primarily due to effects of wind speed on module temperature. Optimization of the model result produces a 13-layer and a 20-layer mirror, which increase annual module energy yield by up to 4.0% compared to a module without the mirror, varying depending on the module location and tilt angle. Finally, we analyze how spectrally selective mirrors affect the loss pathways of the photovoltaic module.

14 SOLAR ENERGY↗
DOE OSTI2020

TiO2 Nanocrystal-Framed Li 2 TiSiO 5 Platelets for Low-Voltage Lithium Battery Anode

Titanium-based anode materials are attracting considerable attention for use in high-performance lithium-ion batteries, but the compromised energy density caused by high voltage plateaus and unsatisfactory capacities severely retards their practical applications. Herein, a molten-salt synthesis of Li 2 TiSiO 5 crystalline platelets and a subsequent selective facet modification by in situ growth of TiO 2 nanocrystal frames are facilely achieved. The discharge voltage plateau at around 0.5 V renders the Li 2 TiSiO 5 anode safe compared with graphite and confers a high energy density compared with zero-strain Li 4 Ti 5 O 12 anode. With the optimized size, structure, and content of modified TiO2 nanocrystals associated with the exposed (001) plane of Li 2 TiSiO 5 , the Li 2 TiSiO 5 -based anodes can deliver a capacity of above 300 mAh g -1 , enhanced rate performance, and a capacity retention of 66% after 10 000 cycles. In situ X-ray diffraction and ex situ transmission electron microscopy have demonstrated the structural stability of the anodes upon charge/discharge. Further theoretical calculation reveals 3D migration paths of Li + ions in Li 2 TiSiO 5 . The selective modification of in situ grown TiO2 nanocrystals on certain facets of crystallites opens a new door for the development of electrode materials possessing superior electrochemical properties.

anodes↗
NASA NTRS1994

Analytic Sensitivities for Shape Optimization in Equivalent Plate Structural Wing Models

Equivalent plate modeling techniques based on Ritz analysis with simple polynomials prove to be efficient tools for structural modeling of wings in the preliminary design stage. Accuracy problems are encountered, however, when these models are used to obtain finite difference behavior sensitivities with respect to planform shape. The accuracy problems are associated with the poor numerical conditioning of static and eigenvalue equations. As higher-order polynomials are being used to Improve the analysis itself, the more sensitive is the finite difference derivative to the step size used. This article describes a formulation of wing equivalent plate modeling in which it is simple to obtain analytic, explicit expressions for stiffness and mass matrix elements without the need to perform numerical integration. This formulation leads naturally to analytic expressions for the derivatives of displacements, stresses, and natural frequencies with respect to shape design variables. This article examines the accuracy of finite difference derivatives compared with the analytic derivatives, and shows that In some cases it is impossible to obtain any information of value by finite differences. Analytic sensitivities, in this case, are still sufficiently accurate for design optimization.

Livne, Eli↗
DOE OSTI2018

Dynamic imaging of metastable reaction pathways in lithiated cobalt oxide electrodes

Understanding how lithium-ion batteries function down to the atomic level during charge and discharge cycling can provide valuable guidance to optimize structure-property relationships and to design and understand new electrode materials. Lithium insertion and reactions with the electrodes during charge and discharge cycling can occur via metastable structures with complex ordering and related non-equilibrium phenomena. Remarkably, these processes remain still poorly understood despite their significance in the operation of lithium battery systems in critical technologies. In this communication, we present the dynamics of lithium insertion into Co3O4 and the evolution of metastable phases as probed by in-situ transmission electron microscopy, in concert with first principles density functional theory calculations. We show that the initial lithium intercalation reaction occurs with the formation of several metastable and intermediate phases, followed by a sequence of conversion reactions that perturb and expand the cubic-close-packed oxygen array, ultimately generating an end-product of finely dispersed cobalt metal clusters within a Li2O matrix. The calculated non-equilibrium lithiation pathways corroborate with the experimental lithiation voltages, and explain the significant hysteresis that occurs during electrochemical cycling. The data provide new insights into the complexity of solid state lithium electrochemistry in metal oxides that are relevant to advancing lithium battery technology.

conversion reaction electrode↗