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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Lewis Acid Doping Induced Synergistic Effects on Electronic and Morphological Structure for Donor and Acceptor in Polymer Solar Cells

Abstract Due to the attraction of optimizing the electronic structure beyond chemical synthesis, molecular doping has recently aroused wide interest in the field of organic solar cells. However, the selection of limited dopants confines its successful application. Inspired by the Lewis base characteristics of the photovoltaic materials, the Lewis acid as novel dopant is introduced in organic solar cells. In both fullerene and nonfullerene based blends, Lewis acid doping leads to increased photovoltaic performance. Detailed experiments reveal that Lewis acid doping has a synergistic effect on modifying the polymer's electronic properties and the acceptor's nanostructure even at low doping concentration, and these are simultaneously responsible for the device improvements. Based on the mechanism studies, it is proposed that the Lewis acid‐doped polymers anions produce induced dipole on the acceptor, this increases the intermolecular interaction and facilitates the morphology optimization. It is believed that the synergistic effect by Lewis acid doping greatly expands the application of doped organic solar cells, in concert with other existing methods to yield higher efficiency values.

Yan, Han↗
NASA NTRS1993

Mathmatical modeling for diffractive optics

We consider a 'diffractive optic' to be a biperiodic surface separating two half-spaces, each having constant constitutive parameters; within a unit cell of the periodic surface and across the transition zone between the two half-spaces, the constitutive parameters can be a continuous, complex-valued function. Mathematical models for diffractive optics have been developed, and implemented as numerical codes, both for the 'direct' problem and for the 'inverse' problem. In problems of the 'direct' class, the diffractive optic is specified, and the full set of Maxwell's equations is cast in a variational form and solved numerically by a finite element approach. This approach is well-posed in the sense that existence and uniqueness of the solution can be proved and specific convergence conditions can be derived. An example of a metallic grating at a Wood anomaly is presented as a case where other approaches are known to have convergence problems. In problems of the 'inverse' class, some information about the diffracted field (e.g., the far-field intensity) is given, and the problem is to find the periodic structure in some optimal sense. Two approaches are described: phase reconstruction in the far-field approximation; and relaxed optimal design based on the Helmholtz equation. Practical examples are discussed for each approach to the inverse problem, including array generators in the far-field case and antireflective structures for the relaxed optimal design.

Dobson, David↗
NASA NTRS1993

Application of a Navier-Stokes aeroelastic method to improve fighter wing performance at maneuver flight conditions

An aeroelastic analysis method, based on three-dimensional Navier-Stokes equation aerodynamics, has been applied to improve the performance of fighter wings operating at sustained maneuver flight conditions. The scheme reduces the trimmed pressure drag of wings performing high-g maneuvers through a simultaneous application of control surface deflection and aeroelastic twist. The aerodynamic and structural interactions are decoupled by assuming an aeroelastic twist mode shape and optimizing the aerodynamic performance based on this aeroelastic mode. The wing structural stiffness properties are then determined through an inverse scheme based on the aerodynamic loads and desired twist at the maneuver flight condition. The decoupled technique is verified by performing a fully coupled aeroelastic analysis using the maneuver flight conditions and the optimized structural stiffness distributions.

Schuster, David M.↗
DOE OSTI2023

Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning

In previous work (Dandu et al., J. Phys. Chem. A, 2022, 126, 4528–4536), we were successful in predicting accurate atomization energies of organic molecules using machine learning (ML) models, obtaining an accuracy as low as 0.1 kcal/mol compared to the G4MP2 method. In this work, we extend the use of these ML models to adiabatic ionization potentials on data sets of energies generated using quantum chemical calculations. Atomic specific corrections that were found to improve atomization energies from quantum chemical calculations have also been used in this study to improve ionization potentials. Here, the quantum chemical calculations were performed on 3405 molecules containing eight or fewer non-hydrogen atoms derived from the QM9 data set, using the B3LYP functional with the 6–31G(2df,p) basis set for optimization. Low-fidelity IPs for these structures were obtained using two density functional methods: B3LYP/6–31+G(2df,p) and ωB97XD/6–311+G(3df,2p). Highly accurate G4MP2 calculations were performed on these optimized structures to obtain high-fidelity IPs to use in ML models based on the low-fidelity IPs. Our best performing ML methods gave IPs of organic molecules within a mean absolute deviation of 0.035 eV from the G4MP2 IPs for the whole data set. This work demonstrates that ML predictions assisted by quantum chemical calculations can be used to successfully predict IPs of organic molecules for use in high throughput screening.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Geometric programming design of spacecraft protective structures to defeat earth-orbital space debris

A unique methodology providing global optimization of spacecraft protective structures is presented. The Geometric Programming optimization technique, which has a long history of application to structural design problems, is employed to minimize spacecraft weight of protective structural systems exposed to meteoroid and space debris hypervelocity impacts. The space debris and meteoroid environment are defined followed by the formulation of the general weight objective function. The Wilkinson, Burch, and Nysmith hypervelocity impact predictor models are then used in example cases to display Geometric Programming capabilities. Results show that global nonlinear design optimization can be performed for hypervelocity impact models that follow the Geometric Programming form.

Mog, Robert A.↗
NASA NTRS1982

Development of mixed time partition procedures for thermal analysis of structures

The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. This proposed methodology would be readily adaptable to existing computer programs for structural thermal analysis.

Liu, W. K.↗
NASA NTRS1983

Mixed time integration methods for transient thermal analysis of structures

The computational methods used to predict and optimize the thermal-structural behavior of aerospace vehicle structures are reviewed. In general, two classes of algorithms, implicit and explicit, are used in transient thermal analysis of structures. Each of these two methods has its own merits. Due to the different time scales of the mechanical and thermal responses, the selection of a time integration method can be a difficult yet critical factor in the efficient solution of such problems. Therefore mixed time integration methods for transient thermal analysis of structures are being developed. The computer implementation aspects and numerical evaluation of these mixed time implicit-explicit algorithms in thermal analysis of structures are presented. A computationally-useful method of estimating the critical time step for linear quadrilateral element is also given. Numerical tests confirm the stability criterion and accuracy characteristics of the methods. The superiority of these mixed time methods to the fully implicit method or the fully explicit method is also demonstrated.

Liu, W. K.↗
NASA NTRS1997

Multidisciplinary Approach to Linear Aerospike Nozzle Optimization

A model of a linear aerospike rocket nozzle that consists of coupled aerodynamic and structural analyses has been developed. A nonlinear computational fluid dynamics code is used to calculate the aerodynamic thrust, and a three-dimensional fink-element model is used to determine the structural response and weight. The model will be used to demonstrate multidisciplinary design optimization (MDO) capabilities for relevant engine concepts, assess performance of various MDO approaches, and provide a guide for future application development. In this study, the MDO problem is formulated using the multidisciplinary feasible (MDF) strategy. The results for the MDF formulation are presented with comparisons against sequential aerodynamic and structural optimized designs. Significant improvements are demonstrated by using a multidisciplinary approach in comparison with the single- discipline design strategy.

Korte, J. J.↗
NASA NTRS1975

Design of structures for optimum geometry

A method is presented for configuration optimization of finite element structures, given a reasonable initial geometry. The objective is to minimize weight or cost. Design variables include geometric as well as member sizing parameters. The number of elements and joints, and the element-joint relationships are prescribed and are not changed during the optimization process. However, the joint locations are changed. The structure is assumed to be linearly elastic and may be statically indeterminate. Multiple loading conditions are allowed. Constraints include limits on stiffness as well as strength. The method is demonstrated with application to truss design, subject to minimum size, strength, buckling, and displacement constraints. Major design improvements are achieved through configurations changes.

Vanderplaats, G. N.↗
NASA NTRS1985

Approximation of Optimal Infinite Dimensional Compensators for Flexible Structures

The infinite dimensional compensator for a large class of flexible structures, modeled as distributed systems are discussed, as well as an approximation scheme for designing finite dimensional compensators to approximate the infinite dimensional compensator. The approximation scheme is applied to develop a compensator for a space antenna model based on wrap-rib antennas being built currently. While the present model has been simplified, it retains the salient features of rigid body modes and several distributed components of different characteristics. The control and estimator gains are represented by functional gains, which provide graphical representations of the control and estimator laws. These functional gains also indicate the convergence of the finite dimensional compensators and show which modes the optimal compensator ignores.

Gibson, J. S.↗
DOE OSTI2018

Rhombohedral Distortion of the Cubic MgCu2-Type Structure in Ca2Pt3Ga and Ca2Pd3Ga

Two new fully ordered ternary Laves phase compounds, Ca2Pt3Ga and Ca2Pd3Ga, have been synthesized and characterized by powder and single-crystal X-ray diffraction along with electronic structure calculations. Ca2Pd3Ga was synthesized as a pure phase whereas Ca2Pt3Ga was found as a diphasic product with Ca2Pt2Ga. Electronic structure calculations were performed to try and understand why CaPt2 and CaPd2, which crystalize in the cubic MgCu2-type Laves phase structure, distort to the ordered rhombohedral variant, first observed in the magneto-restricted TbFe2 compound, with the substitution of twenty-five percent of the Pt/Pd with Ga. Electronic stability was investigated by changing the valence electron count from 22e−/f.u. in CaPd2 and CaPt2 (2x) to 37e−/f.u. in Ca2Pd3Ga and Ca2Pt3Ga, which causes the Fermi level to shift to a more energetically favorable location in the DOS. The coloring problem was studied by placing a single Ga atom in each of four tetrahedra of the cubic unit cell of the MgCu2-type structure, with nine symmetrically inequivalent models being investigated. Non-optimized and optimized total energy analyses of structural characteristics, along with electronic properties, will be discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Highly dispersive platinum nanoparticles supporting on polyaniline modified three dimensional graphene and catalyzing methanol oxidation

Highlights: • 3D corrugated graphene-based Pt/3D-GNs (PANI) was synthesized by hydrothermal process. • Polyaniline (PANI) was formed in-situ with the aid of catalysis from generated Pt. • Pt particles has better dispersion and stronger interaction with support due to PANI. • Pt/3D-GNs (PANI) exhibits larger active surface area and faster electron transfer. • Pt/3D-GNs (PANI) shows better electrocatalytic performances than Pt/3D-GNs and Pt/C. - Abstract: Direct methanol fuel cells have been attracting serious attention due to its high power density and low pollution, and huge effort has focused on its electrode catalysts. Here, a hydrothermal process was used to synthesize Pt/three dimensional graphene (polyaniline) catalyst (Pt/3D-GNs (PANI)), in which PtCl{sub 4}{sup 2−} and graphene oxide (GO) were reduced synchronously. Especially, aniline was polymerized to form polyaniline (PANI) in situ, catalyzed by pre-generated Pt. After cooling by liquid nitrogen, graphene sheets (GNs) were converted into three dimensional (3D) corrugated graphene. The introduction of PANI promotes formation of 3D graphene structure and favors optimal distribution of Pt particles. Synergistic effect of 3D corrugated graphene structure, highly dispersive Pt nanopartilces and fast electron transfer of support makes Pt/3D-GNs (PANI) have superior electrocatalysis for methanol oxidation. Electrochemical tests show that Pt/3D-GNs (PANI) exhibits much higher electrocatalytic activity (1172 mA mg{sup −1}), better stability and improved CO tolerance in comparison with commercial Pt/C.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1990

NASA-UCLA Workshop on Computational Techniques in Identification and Control of Flexible Flight Structures, Lake Arrowhead, CA, Nov. 2-4, 1989, Proceedings

The present conference on the identification and control of flexible flight structures with computational techniques encompasses existing and planned testbeds, modeling techniques, adaptive control, and numerical computation and simulation. Specific issues addressed include the NASA/MFSC ground test facility, an active control test on the NASA Minimast, the Astrex testbed for large precision space structures, the dynamic analysis of truss-beam modeling, combined structure-controls-integrated optimization, distributed parameter modeling applicable to the control of flexible flight structures, and approaches to nonclassically damped dynamic systems. Also addressed are adaptive control concepts, techniques for vibration and decentralized slew maneuver control, the discretization of second-order-in-time differential equations which are applicable to nonlinear wave problems, the finite-dimensional approximations of Riccati equations, and numerical simulations of actively controlled space structures.

Balakrishnan, A. V.↗
NASA NTRS2017

Investigating Access Performance of Long Time Series with Restructured Big Model Data

Data sets generated by models are substantially increasing in volume, due to increases in spatial and temporal resolution, and the number of output variables. Many users wish to download subsetted data in preferred data formats and structures, as it is getting increasingly difficult to handle the original full-size data files. For example, application research users such as those involved with wind or solar energy, or extreme weather events are likely only interested in daily or hourly model data at a single point (or for a small area) for a long time period, and prefer to have the data downloaded in a single file. With native model file structures, such as hourly data from NASA Modern-Era Retrospective analysis for Research and Applications Version-2 (MERRA-2), it may take over 10 hours for the extraction of parameters-of-interest at a single point for 30 years. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is exploring methods to address this particular user need. One approach is to create value-added data by reconstructing the data files. Taking MERRA-2 data as an example, we have tested converting hourly data from one-day-per-file into different data cubes, such as one-month, or one-year. Performance is compared for reading local data files and accessing data through interoperable services, such as OPeNDAP. Results show that, compared to the original file structure, the new data cubes offer much better performance for accessing long time series. We have noticed that performance is associated with the cube size and structure, the compression method, and how the data are accessed. An optimized data cube structure will not only improve data access, but also may enable better online analysis services

reanalysis↗
NASA NTRS2019

Time-varying Weights in Multi-Objective Optimal Control for Flexible Wing Aircraft

A multi-objective optimal control technique is modified to accommodate changing cost function weights and is used to control a flexible wing aircraft model. Variation of the weights is used to adjust the relative importance of each objective according to either a prescribed function of time or of the state. Several techniques for obtaining a practical approximation to the optimal control solution are presented, and stability of a specific weight structure with the optimal controller is demonstrated. Functionality of the multi-objective control design with weight variation is demonstrated in simulation of a flexible wing transport aircraft and is shown to improve performance over the fixed weight version both at a constant flight condition and across changing flight conditions.

Hashemi, Kelley E.↗
NASA NTRS1993

Model reduction for the dynamics and control of large structural systems via neutral network processing direct numerical optimization

Three neural network processing approaches in a direct numerical optimization model reduction scheme are proposed and investigated. Large structural systems, such as large space structures, offer new challenges to both structural dynamicists and control engineers. One such challenge is that of dimensionality. Indeed these distributed parameter systems can be modeled either by infinite dimensional mathematical models (typically partial differential equations) or by high dimensional discrete models (typically finite element models) often exhibiting thousands of vibrational modes usually closely spaced and with little, if any, damping. Clearly, some form of model reduction is in order, especially for the control engineer who can actively control but a few of the modes using system identification based on a limited number of sensors. Inasmuch as the amount of 'control spillover' (in which the control inputs excite the neglected dynamics) and/or 'observation spillover' (where neglected dynamics affect system identification) is to a large extent determined by the choice of particular reduced model (RM), the way in which this model reduction is carried out is often critical.

Becus, Georges A.↗