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991.
In conjunction with the homogenization theory and the finite element method, the mathematical models for designing the corss-section
of composite shafts by maximizing the torsion rigidity are developed in this paper. To obtain the extremal torsion rigidity,
both the cross-section of the macro scale shaft and the representative microstructure of the composite material are optimized
using the new models. The micro scale computational model addresses the problem of finding the periodic microstructures with
extreme shear moduli. The optimal microstructure obtained with the new model and the homogenization method can be used to
improve and optimize natural or artificial materials. In order to be more practical for engineering applications, cellular
materials rather than ranked materials are used in the optimal process in the existence of optimal bounds for the elastic
properties. Moreover, the macro scale model is proposed to optimize the cross-section of the torsional shaft based on the
tailared composites. The validating optimal results show that the models are very effective in obtaining composites with extreme
elastic properties, and the cross-section of the composite shaft with the extremal torsion rigidity.
The project supported by the National Natural Science Foundation of China (10172078 and 10102018) 相似文献
992.
993.
Hédy Attouch Guillaume Garrigos Xavier Goudou 《Journal of Mathematical Analysis and Applications》2015
In a general Hilbert framework, we consider continuous gradient-like dynamical systems for constrained multiobjective optimization involving nonsmooth convex objective functions. Based on the Yosida regularization of the subdifferential operators involved in the system, we obtain the existence of strong global trajectories. We prove a descent property for each objective function, and the convergence of trajectories to weak Pareto minima. This approach provides a dynamical endogenous weighting of the objective functions, a key property for applications in cooperative games, inverse problems, and numerical multiobjective optimization. 相似文献
994.
The influence of the sample preparation parameters (the choice of the solvent and of the matrix:analyte ratio) was investigated and optimal conditions were established for MALDI mass spectrometry analysis of the pristine low molecular weight polyvinyl acetate (PVAc). It was demonstrated that comparison of polymer’s and solvent’s Hansen solubility parameters could be used as a guide when choosing the solvent for MALDI sample preparation. The highest intensity PVAc signals were obtained when ethyl acetate was used as a solvent along with the lowest matrix–analyte ratio (2,5-dihydroxybenzoic acid was used as a matrix in all experiments). The structure of the PVAc was established with high accuracy using the matrix-assisted laser desorption/ionization-Fourier transform mass spectrometry (MALDI-FTMS) analysis. It was demonstrated that PVAc undergoes unimolecular decomposition by losing acetic acid molecules from its backbone under the conditions of FTMS measurements. Number and weight average molecular weights as well as polydispersity indices were determined with both MALDI-TOF and MALDI-FTMS methods. The sample preparation protocol developed was applied to the analysis of a chewing gum and the molecular weight and structure of the polyvinyl acetate present in the sample were established. Thus, it was shown that optimized MALDI mass spectrometry could be used successfully for characterization of polyvinyl acetate in commercially available chewing gum. 相似文献
995.
Livia Maria Zambrozi Garcia Passari Ieda Spacino Scarminio Roy Edward Bruns 《Analytica chimica acta》2014
Statistical design mixtures of acetone, chloroform, dichloromethane and ethanol were used to study the effects of different solvents and their mixtures on the quantities of coumarin and related metabolites extracted from Mikania laevigata samples harvested in each of the four seasons. RP-HPLC-DAD and both positive and negative modes of UPLC-MS analyses were used to determine relative quantities of coumarin, o-coumaric acid and melilotic acids in each season for all the mixture design extracts. The existence and measurement of the relative abundances of melilotic acid in Mikania laevigata have not been reported previously. Highest coumarin concentrations were encountered in the summer whereas its o-coumaric acid precursor and melilotic acid were most abundant in the spring. O-coumaric and melilotic acids concentrations were strongly correlated during the year. Also solvent effects were seen to be significant. Ethanol and 1:1 binary mixtures of ethanol and acetone extracted the largest quantities of coumarin whereas ethanolic binary and ternary mixtures with chloroform and dichloromethane provided the best yields of o-coumaric and melilotic acids. Statistical mixture models indicated that synergic binary interactions, especially those involving ethanol with acetone or chloroform, are important in the Mikania extraction process. 相似文献
996.
Alexey N. Skvortsov 《Journal of Chemometrics》2014,28(10):727-739
Rotation ambiguity (RA) in multivariate curve resolution (MCR) is an undesirable case, when the physicochemical constraints are not sufficiently strong to provide a unique resolution of the data matrix of the mixtures into spectra and concentration profiles of individual chemical components. RA is often met in MCR of overlapped chromatographic peaks, kinetic and equilibrium data, and fluorescence two‐dimensional spectra. In case of RA, a single candidate solution has little practical value. So, the whole set of feasible solutions should be characterized somehow. It is a quite intricate task in a general case. In the present paper, a method was proposed to estimate RA with charged particle swarm optimization (cPSO), a population‐based algorithm. The criteria for updating the particles were modified, so that the swarm converged to the steady state, which spanned the set of feasible solutions. The performance of cPSO‐MCR was demonstrated on test functions, simulated datasets, and real‐world data. Good accordance of the cPSO‐MCR results with the analytical solutions (Borgen plots) was observed. cPSO‐MCR was also shown to be capable of estimating the strength of the constraints and of revealing RA in noisy data. As compared with analytical methods, cPSO‐MCR is simpler to implement, expands to more than three chemical compounds, is immune to noise, and can be easily adapted to virtually all types of constraints and objective functions (constraint based or residue based). cPSO‐MCR also provides natural visual information about the level of RA in spectra and concentration profiles, similar to the methods of two extreme solutions (e.g., MCR‐BANDS). Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
997.
998.
Helmut Rudolph 《Optimization》2015,64(8):1739-1757
999.
Takeuchi H 《Journal of computational chemistry》2011,32(7):1345-1352
Geometry optimization of ethane clusters (C(2)H(6))(n) in the range of n ≤ 25 is carried out with a Morse potential. A heuristic method based on perturbations of geometries is used to locate global minima of the clusters. The following perturbations are carried out: (1) the molecule or group with the highest energy is moved to the interior of a cluster, (2) it is moved to stable positions on the surface of a cluster, and (3) orientations of one and two molecules are randomly modified. The geometry obtained after each perturbation is optimized by a quasi-Newton method. The global minimum of the dimer is consistent with that previously reported. The putative global minima of the clusters with 3 ≤ n ≤ 25 are first proposed and their building-up principle is discussed. 相似文献
1000.
Maria Francesca Alberghina Rosita Barraco Maria Brai Tiziano Schillaci Luigi Tranchina 《Spectrochimica Acta Part B: Atomic Spectroscopy》2011,66(2):129-137
The investigations on structure and micro-chemical composition of archaeological metal alloys are needed in archaeometry. The aim of this study is devoted both to acquire information about their provenance and production technology, and to improve our understanding about the corrosion processes. In this paper we present the study of the corrosion phenomena of bronze samples, laboratory-made according to binary, ternary and quaternary alloys typical of Roman archaeometallurgical production through an integrated methodology based on the use of non or micro invasive physical techniques. Among the analysed samples, two were artificially aged through burial in the archaeological site of Tharros, along the west coast of Sardinia (Italy). The corrosion products, typical of the bronzes in archaeological sites near the sea, have been characterized by non invasive and micro-destructive measurements. In particular, the corrosion patinas were examined through optical microscopy, scanning electron microscopy and microanalysis, X-ray fluorescence and laser ablation spectroscopy. The use of integrated technologies allowed us to determine both the elemental composition and surface morphology of the patina, highlighting the correlation between patina nature and chemical composition of the burial context. Moreover, data obtained by the laser-induced breakdown spectroscopy along the depth profile on the samples, have yielded information about the stratigraphic layers of corrosion products and their growth. Finally, the depth profiles allowed us to verify both the chemical elements constituting the patina, the metal ions constituting the alloy and the occurrence of migration phenomena from bulk to the surface. 相似文献