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81.
We apply the least‐squares finite element method with adaptive grid to nonlinear time‐dependent PDEs with shocks. The least‐squares finite element method is also used in applying the deformation method to generate the adaptive moving grids. The effectiveness of this method is demonstrated by solving a Burgers' equation with shocks. Computational results on uniform grids and adaptive grids are compared for the purpose of evaluation. The results show that the adaptive grids can capture the shock more sharply with significantly less computational time. For moving shock, the adaptive grid moves correctly with the shock. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2006 相似文献
82.
83.
Chin‐Ping Yang Yu‐Yang Su Sheng‐Huei Hsiao 《Journal of polymer science. Part A, Polymer chemistry》2006,44(20):5909-5922
Two series of novel fluorinated poly(ether imide)s (coded IIIA and IIIB ) were prepared from 2,6‐bis(3,4‐dicarboxyphenoxy)naphthalene dianhydride and 2,7‐bis(3,4‐dicarboxyphenoxy)naphthalene dianhydride, respectively, with various trifluoromethyl‐substituted aromatic bis(ether amine)s by a standard two‐step process with thermal or chemical imidization of the poly(amic acid) precursors. These fluorinated poly(ether imide)s showed good solubility in many organic solvents and could be solution‐cast into transparent, flexible, and tough films. These films were nearly colorless, with an ultraviolet–visible absorption edge of 364–386 nm. They also showed good thermal stability with glass‐transition temperatures of 221–298 °C, 10% weight loss temperatures in excess of 489 °C, and char yields at 800 °C in nitrogen greater than 50%. The 2,7‐substituted IIIB series also showed better solubility and higher transparency than the isomeric 2,6‐substituted IIIA series. In comparison with nonfluorinated poly (ether imide)s, the fluorinated IIIA and IIIB series showed better solubility, higher transparency, and lower dielectric constants and water absorption. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 5909–5922, 2006 相似文献
84.
Hydrogels have been widely used in microelectromechanical systems (MEMS) and Bio‐MEMS devices. In this article, the equilibrium swelling/deswelling of the pH‐stimulus cylindrical hydrogel in the microchannel is studied and simulated by the meshless method. The multi‐field coupling model, called multi‐effect‐coupling pH‐stimulus (MECpH) model, is presented and used to describe the chemical field, electric field, and the mechanical field involved in the problem. The partial differential equations (PDEs) describing these three fields are either nonlinear or coupled together. This multi‐field coupling and high nonlinear characteristics produce difficulties for the conventional numerical methods (e.g., the finite element method or the finite difference method), so an alternative—meshless method is developed to discretize the PDEs, and the efficient iteration technique is adopted to solve the nonlinear problem. The computational results for the swelling/deswelling diameter of the hydrogel under the different pH values are firstly compared with experimental results, and they have a good agreement. The influences of other parameters on the mechanical properties of the hydrogel are also investigated in detail. It is shown that the multi‐field coupling model and the developed meshless method are efficient, stable, and accurate for simulation of the properties of the stimuli‐sensitive hydrogel. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 326–337, 2006 相似文献
85.
For structural parameters with uncertainties, interval mathematics can, in the case where the probabilistic distribution density
of uncertain variables is unavailable, deal with the influence of uncertainties in structural parameters on the response of
structures. In order to evaluate the region containing natural frequencies of structures with interval parameters, the interval
parameter perturbation method is presented in this paper. The advantage of the present method is its computational efficiency
in evaluating the region containing natural frequencies. A numerical example is used to illustrate the efficiency of the method
proposed.
The project is supported by National Youth Natural Science Foundation of China and National Outstanding Youth Science Foundation
of China. 相似文献
86.
N. C. Handy 《Theoretical chemistry accounts》1973,31(3):201-204
Boys and Handy [1] have discussed the solution of the bivariational equations with restricted numerical integration. One of the weaknesses of the method was that in the numerical summations over points, some points arose with r
ij= 0 and non-zero weights. This makes the method quite impractical for the Schrodinger Hamiltonian (because of the singularity at r
ij= 0), and it cannot be advantageous for the transcorrelated Hamiltonian C–1HC because there will be some discontinuous higher derivatives at r
ij=0. Here it is shown how the symmetry of cylindrically symmetric molecules can be used to eliminate such points, without losing any of the advantages of the overall method, such as the convergence of the eigensolutions. It is also shown how the primary numerical integration points (z
i, ri) may be chosen in any calculation such that each is associated with an equal amount of one-electron density. The choice of the angular coordinates are governed by the removal of the r
ij=0 points and maintaining the natural orthogonality between orbitals of different symmetry types. The method has been programmed and found to be practical, although no new molecular calculations have yet been performed. It is to be hoped that these points will give a basis for new transcorrelated calculations on diatomic molecules.This paper was presented during the session on numerical integration methods for molecules of the 1970 Quantum Theory Conference in Nottingham. It has been revised in the light of the interesting discussion which followed. 相似文献
87.
A bound is given for the average length of a lexicographic path, a definition that is motivated by degeneracies encountered when using the randomized simplex method. 相似文献
88.
89.
Gary W. Schnuelle S. Swaminathan David L. Beveridge 《Theoretical chemistry accounts》1978,48(1):17-27
A theoretical study of ion hydration using the statistical thermodynamic supermolecule-continuum method is described. The cell and shell methods are used for configurational averaging. Enthalpies, free energies and entropies are calculated for Li+, Na+, K+, F– and Cl– each four coordinated with water. The results are in reasonable accord with experiment. A comparison of the site method, cell method and shell method results is presented. The supermolecule-continuum approach to solvent effects seems to be capable of accommodating essential features for the calculation of solvation energy and solvent effects on structure and properties. 相似文献
90.
Turevskaya E.P. Berdyev D.V. Turova N.Ya. 《Journal of Sol-Gel Science and Technology》1997,8(1-3):111-115
Complex formation in solutions of barium and zirconium alkoxides in ROH (R=i-Pr, Et) was studied. A number of bimetallic complexes were isolated, and their structure and properties were studied. The
sol-gel method yields a single-phase BaZrO3 powder only wheni-PrOH solutions of the alkoxides are used. In this case, the oxocomplex, BaZrO(OPr-i)4.(1–2)i-PrOH, is the precursor of the mixed oxide. 相似文献