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At least 451 records · Page 25

Sensitivity Analysis Method to Address User Disparities in the Analytic Hierarchy Process

Decision makers often face complex problems, which can seldom be addressed well without the use of structured analytical models. Mathematical models have been developed to streamline and facilitate decision making activities, and among these, the Analytic Hierarchy Process (AHP) constitutes one of the most utilized multi-criteria decision analysis methods. While AHP has been thoroughly researched and applied, the method still shows limitations in terms of addressing user profile disparities. A novel sensitivity analysis method based on local partial derivatives is presented here to address these limitations. This new methodology informs AHP users of which pairwise comparisons most impact the derived weights and the ranking of alternatives. The method can also be applied to decision processes that require the aggregation of results obtained by several users, as it highlights which individuals most critically impact the aggregated group results while also enabling to focus on inputs that drive the final ordering of alternatives. An aerospace design and engineering example that requires group decision making is presented to demonstrate and validate the proposed methodology.

Marie Ivanco↗

A reliable algorithm for optimal control synthesis

In recent years, powerful design tools for linear time-invariant multivariable control systems have been developed based on direct parameter optimization. In this report, an algorithm for reliable optimal control synthesis using parameter optimization is presented. Specifically, a robust numerical algorithm is developed for the evaluation of the H(sup 2)-like cost functional and its gradients with respect to the controller design parameters. The method is specifically designed to handle defective degenerate systems and is based on the well-known Pade series approximation of the matrix exponential. Numerical test problems in control synthesis for simple mechanical systems and for a flexible structure with densely packed modes illustrate positively the reliability of this method when compared to a method based on diagonalization. Several types of cost functions have been considered: a cost function for robust control consisting of a linear combination of quadratic objectives for deterministic and random disturbances, and one representing an upper bound on the quadratic objective for worst case initial conditions. Finally, a framework for multivariable control synthesis has been developed combining the concept of closed-loop transfer recovery with numerical parameter optimization. The procedure enables designers to synthesize not only observer-based controllers but also controllers of arbitrary order and structure. Numerical design solutions rely heavily on the robust algorithm due to the high order of the synthesis model and the presence of near-overlapping modes. The design approach is successfully applied to the design of a high-bandwidth control system for a rotorcraft.

Vansteenwyk, Brett↗

Approximation concepts for efficient structural synthesis

It is shown that efficient structural synthesis capabilities can be created by using approximation concepts to mesh finite element structural analysis methods with nonlinear mathematical programming techniques. The history of the application of mathematical programming techniques to structural design optimization problems is reviewed. Several rather general approximation concepts are described along with the technical foundations of the ACCESS 1 computer program, which implements several approximation concepts. A substantial collection of structural design problems involving truss and idealized wing structures is presented. It is concluded that since the basic ideas employed in creating the ACCESS 1 program are rather general, its successful development supports the contention that the introduction of approximation concepts will lead to the emergence of a new generation of practical and efficient, large scale, structural synthesis capabilities in which finite element analysis methods and mathematical programming algorithms will play a central role.

Schmit, L. A., Jr.↗

Approximate algorithms for partitioning and assignment problems

The problem of optimally assigning the modules of a parallel/pipelined program over the processors of a multiple computer system under certain restrictions on the interconnection structure of the program as well as the multiple computer system was considered. For a variety of such programs it is possible to find linear time if a partition of the program exists in which the load on any processor is within a certain bound. This method, when combined with a binary search over a finite range, provides an approximate solution to the partitioning problem. The specific problems considered were: a chain structured parallel program over a chain-like computer system, multiple chain-like programs over a host-satellite system, and a tree structured parallel program over a host-satellite system. For a problem with m modules and n processors, the complexity of the algorithm is no worse than O(mnlog(W sub T/epsilon)), where W sub T is the cost of assigning all modules to one processor and epsilon the desired accuracy.

Iqbal, M. A.↗

Rotary-wing aeroelasticity with application to VTOL vehicles

A concise assessment is presented of the state of the art in the field of rotary-wing aeroelasticity (RWE). The basic ingredients of RWE are reviewed, including structural modeling, unsteady aerodynamic modeling, formulation of the equations of motion, and solution methods. Results illustrating these methods are presented for isolated blades and coupled rotor-fuselage problems. The application of active controls to suppress aeromechanical and aeroelastic instabilities and to reduce vibration in rotorcraft is discussed. Structural optimization with aeroelastic constraints, gust response analysis of helicopters, and aeroelastic problems in special VTOL vehicles are briefly examined.

Friedmann, Peretz P.↗

Model reduction for Space Station Freedom

Model reduction is an important practical problem in the control of flexible spacecraft, and a considerable amount of work has been carried out on this topic. Two of the best known methods developed are modal truncation and internal balancing. Modal truncation is simple to implement but can give poor results when the structure possesses clustered natural frequencies, as often occurs in practice. Balancing avoids this problem but has the disadvantages of high computational cost, possible numerical sensitivity problems, and no physical interpretation for the resulting balanced 'modes'. The purpose of this work is to examine the performance of the subsystem balancing technique developed by the investigator when tested on a realistic flexible space structure, in this case a model of the Permanently Manned Configuration (PMC) of Space Station Freedom. This method retains the desirable properties of standard balancing while overcoming the three difficulties listed above. It achieves this by first decomposing the structural model into subsystems of highly correlated modes. Each subsystem is approximately uncorrelated from all others, so balancing them separately and then combining yields comparable results to balancing the entire structure directly. The operation count reduction obtained by the new technique is considerable: a factor of roughly r(exp 2) if the system decomposes into r equal subsystems. Numerical accuracy is also improved significantly, as the matrices being operated on are of reduced dimension, and the modes of the reduced-order model now have a clear physical interpretation; they are, to first order, linear combinations of repeated-frequency modes.

Williams, Trevor↗

Embedded mesh solutions of the Euler equation using a multiple-grid method

New developments make it now possible to obtain solutions to Euler equations for many problems on the basis of acceptable computing times. The possibility of an extension of these methods to more difficult flows and increasingly complex geometries can depend on obtaining suitable grid structures. Thus, an attractive approach to complex geometries involves the recasting of the problem into the framework of a multiple-grid structure. The discrete equations represented on the grid are solved as a simultaneous system. In the present investigation, this is accomplished with the aid of Ni's multiple-grid algorithm. The multiple-grid structure provided in this study represents the first step towards a completely general modular approach to the solution of the complete compressible flow problem. In the presented cases, a fine mesh resolution is obtained within the embedded mesh regions, while preserving the global coarse mesh convergence rates.

Usab, W. J., Jr.↗

Krylov methods for compressible flows

We investigate the application of Krylov methods to compressible flows, and the effect of implicit boundary conditions on the implicit solution of nonlinear problems. Two defect-correction procedures, namely, approximate factorization (AF) for structured grids and ILU/GMRES for general grids, are considered. Also considered here are Newton-Krylov matrix-free methods that we combined with the use of mixed discretization schemes in the implicitly defined Jacobian and its preconditioner. Numerical experiments that show the performance of our approaches are then presented.

Tidriri, M. D.↗

Challenges in solving structures from radiation-damaged tomograms of protein nanocrystals assessed by simulation

Structure-determination methods are needed to resolve the atomic details that underlie protein function. X-ray crystallography has provided most of our knowledge of protein structure, but is constrained by the need for large, well ordered crystals and the loss of phase information. The rapidly developing methods of serial femtosecond crystallography, micro-electron diffraction and single-particle reconstruction circumvent the first of these limitations by enabling data collection from nanocrystals or purified proteins. However, the first two methods also suffer from the phase problem, while many proteins fall below the molecular-weight threshold required for single-particle reconstruction. Cryo-electron tomography of protein nanocrystals has the potential to overcome these obstacles of mainstream structure-determination methods. Here, a data-processing scheme is presented that combines routines from X-ray crystallography and new algorithms that have been developed to solve structures from tomograms of nanocrystals. This pipeline handles image-processing challenges specific to tomographic sampling of periodic specimens and is validated using simulated crystals. The tolerance of this workflow to the effects of radiation damage is also assessed. The simulations indicate a trade-off between a wider tilt range to facilitate merging data from multiple tomograms and a smaller tilt increment to improve phase accuracy. Since phase errors, but not merging errors, can be overcome with additional data sets, these results recommend distributing the dose over a wide angular range rather than using a finer sampling interval to solve the protein structure.

59 BASIC BIOLOGICAL SCIENCES↗

Polymer informatics: Current status and critical next steps

Artificial intelligence (AI) based approaches are beginning to impact several domains of human life, science and technology. Polymer informatics is one such domain where AI and machine learning (ML) tools are being used in the efficient development, design and discovery of polymers. Surrogate models are trained on available polymer data for instant property prediction, allowing screening of promising polymer candidates with specific target property requirements. Questions regarding synthesizability, and potential (retro)synthesis steps to create a target polymer, are being explored using statistical means. Data-driven strategies to tackle unique challenges resulting from the extraordinary chemical and physical diversity of polymers at small and large scales are being explored. Other major hurdles for polymer informatics are the lack of widespread availability of curated and organized data, and approaches to create machine-readable representations that capture not just the structure of complex polymeric situations but also synthesis and processing conditions. Methods to solve inverse problems, wherein polymer recommendations are made using advanced AI algorithms that meet application targets, are being investigated. As various parts of the burgeoning polymer informatics ecosystem mature and become integrated, efficiency improvements, accelerated discoveries and increased productivity can result. Here in this paper, we review emergent components of this polymer informatics ecosystem and discuss imminent challenges and opportunities.

36 MATERIALS SCIENCE↗

Reaction Profiles and Kinetics for Radical–Radical Hydrogen Abstraction via Multireference Coupled Cluster Theory

Radical-radical abstractions in hydrocarbon oxidation chemistry are disproportionation reactions that are generally exothermic with little or no barrier yet are underappreciated and poorly studied. Such challenging multireference electronic structure problems are tackled here using the recently developed state-specific multireference coupled cluster methods Mk-MRCCSD and Mk-MRCCSD(T), as well as the companion perturbation theory Mk-MRPT2 and the established MRCISD, MRCISD+Q, and CASPT2 approaches. Reaction paths are investigated for five prototypes involving radical-radical hydrogen abstraction: H + BeH → H 2 + Be, H + NH 2 → H 2 + NH, CH 3 + C 2 H 5 → CH 4 + C 2 H 4 , H + C2H 5 → H 2 + C 2 H 4 , and H + HCO → H 2 + CO. Full configuration interaction (FCI) benchmark computations for the H + BeH, H + NH 2 , and H + HCO reactions prove that Mk-MRCCSD(T) provides superior accuracy for the interaction energies in the entrance channel, with mean absolute errors less than 0.3 kcal mol(-1) and percentage deviations less than 10% over the fragment separations of relevance to kinetics. To facilitate combustion studies, energetics for the CH 3 + C 2 H 5 , H + C 2 H 5 , and H + HCO reactions were computed at each level of theory with correlation-consistent basis sets (cc-pVXZ, X = T, Q 5) and extrapolated to the complete basis set (CBS) limit. These CBS energies were coupled with CASPT2 projected vibrational frequencies along a minimum energy path to obtain rate constants for these three reactions. The rigorous Mk-MRCCSD(T)/CBS results demonstrate unequivocally that these three reactions proceed with no barrier in the entrance channel, contrary to some earlier predictions. Mk-MRCCSD(T) also reveals that the economical CASPT2 method performs well for large interfragment separations but may deteriorate substantially at shorter distances.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Protection of cooled blades of complex internal structure

The problem of general protection of cooled blades of complex internal structure was solved by a method called SF technique which makes possible the protection of both external and internal surfaces, as well as those of the orifices of cooling air, whatever their diameter. The SF method is most often applied in the case of pack process, at controlled or high activity; it can be of use on previously uncoated parts, but also on pieces already coated by a thermochemical, chemical or PVD method. The respective thickness of external and internal coatings may be precisely predetermined, no parasitic particle being liable to remain inside the parts after application of the protecting treatment. Results obtained to date by application of this method are illustrated by the presentation and examination of a various selection of advanced turbo engines.

Glamiche, P.↗

Maneuvering of large flexible space antennas using optimal discrete-time controllers

The problem of maneuvering large space structures is formulated as a discrete-time, finite-duration optimal regulator problem. Two methods are considered for minimizing the elastic motion during the maneuver. The methods are applied to retargetting maneuver of a large space antenna, and the results are compared with those obtained using bang-bang control. The optimal regulator designed using the model error sensitivity supression method gives the best performance.

Joshi, S. M.↗

ICASE semiannual report, April 1 - September 30, 1989

The Institute conducts unclassified basic research in applied mathematics, numerical analysis, and computer science in order to extend and improve problem-solving capabilities in science and engineering, particularly in aeronautics and space. The major categories of the current Institute for Computer Applications in Science and Engineering (ICASE) research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification problems, with emphasis on effective numerical methods; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software, especially vector and parallel computers. ICASE reports are considered to be primarily preprints of manuscripts that have been submitted to appropriate research journals or that are to appear in conference proceedings.

Source record↗

Robustness, generality and efficiency of optimization algorithms in practical applications

The theoretical foundations of two approaches, sequential quadratic programming (SQP) and optimality criteria (OC), are analyzed and compared, with emphasis on the critical importance of parameters such as accuracy, generality, robustness, efficiency, and ease of use in large scale structural optimization. A simplified fighter wing and active control of space structures are considered with other example problems. When applied to general system identification problems, the OC methods are shown to lose simplicity and demonstrate lack of generality, accuracy and robustness. It is concluded that the SQP method with a potential constraint strategy is a better choice as compared to the currently prevalent mathematical programming and OC approaches.

Thanedar, P. B.↗

Inverse problems in the design, modeling and testing of engineering systems

Formulations, classification, areas of application, and approaches to solving different inverse problems are considered for the design of structures, modeling, and experimental data processing. Problems in the practical implementation of theoretical-experimental methods based on solving inverse problems are analyzed in order to identify mathematical models of physical processes, aid in input data preparation for design parameter optimization, help in design parameter optimization itself, and to model experiments, large-scale tests, and real tests of engineering systems.

Alifanov, Oleg M.↗

Semiannual report, 1 April - 30 September 1991

The major categories of the current Institute for Computer Applications in Science and Engineering (ICASE) research program are: (1) numerical methods, with particular emphasis on the development and analysis of basic numerical algorithms; (2) control and parameter identification problems, with emphasis on effective numerical methods; (3) computational problems in engineering and the physical sciences, particularly fluid dynamics, acoustics, and structural analysis; and (4) computer systems and software for parallel computers. Research in these areas is discussed.

Source record↗