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41.
We report a thermal analysis study of the effect of molecular weight on the amorphous phase structure of poly(phenylene sulfide), PPS, crystallized at temperatures just above the glass transition temperature. Thermal properties of Fortron PPS, having viscosity average molecular weights of 30000 to 91000, were characterized using temperature modulated differential scanning calorimetry (MDSC). We find that while crystallinity varies little with molecular weight, the heat capacity increment at the glass transition decreases as molecular weight decreases. This leads to a smaller liquid-like amorphous phase, and a larger rigid amorphous fraction, in the lower molecular weight PPS. For all molecular weights, constrained fraction decreases as the scan rate decreases.This research is supported by the U. S. Army Research Office through contract DAAH04-96-1-0009. The authors thank Hoechst Celanese for providing different molecular weight Fortron samples and Dr. George Collins for providing sample information. The authors acknowledge the assistance of Elizabeth Oyebode and Leonardo Grimaldi with sample preparation and MDSC work. 相似文献
42.
Hermann Stoll Gerhard Wagenblast Heinzwerner Preuβ 《Theoretical chemistry accounts》1980,57(2):169-178
Two procedures are discussed for the direct variational optimization of localized molecular orbitals which are expanded in local subsets of the molecular basis set. It is shown that a Newton-Raphson approach is more efficient than an iterative diagonalization scheme. The effect of the basis-set truncation on the quality ofab-initio SCF results is investigated for Be, Li2, HF, H2O, NH3, CH4 and C2H6. 相似文献
43.
Fourier transform Raman spectra of eight mixtures of four organic solids, namely dicyandiamide, melamine, acetamide and urea were measured. Matrices formed from these spectra were first subjected to singular value decomposition to obtain the right singular vectors. The right singular vectors were then subjected to blind source separation using band-target entropy minimization (BTEM), thus no a priori information (i.e. involving the nature of the components present, their spectra, nor their concentrations) was included in the analysis. The recovered pure component spectra are of exceptionally high quality and are consistent with pure reference spectra. Various empirical and statistical tests, such as the Euclidean norm and target transform factor analysis, were employed to assess the quality of the recovered spectra. The present results indicate the applicability of combined Raman and BTEM analysis for solid mixtures. 相似文献
44.
Letf(x,y) be a function of the vector variablesx R
n andy R
m. The grouped (variable) coordinate minimization (GCM) method for minimizingf consists of alternating exact minimizations in either of the two vector variables, while holding the other fixed at the most recent value. This scheme is known to be locally,q-linearly convergent, and is most useful in certain types of statistical and pattern recognition problems where the necessary coordinate minimizers are available explicitly. In some important cases, the exact minimizer in one of the vector variables is not explicitly available, so that an iterative technique such as Newton's method must be employed. The main result proved here shows that a single iteration of Newton's method solves the coordinate minimization problem sufficiently well to preserve the overall rate of convergence of the GCM sequence.The authors are indebted to Professor R. A. Tapia for his help in improving this paper. 相似文献
45.
Finitely convergent algorithms for solving rank two and three bilinear programming problems are proposed. A rank k bilinear programming problem is a nonconvex quadratic programming problem with the following structure: % MathType!MTEF!2!1!+-% feaafeart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn% hiov2DGi1BTfMBaeXatLxBI9gBaerbd9wDYLwzYbItLDharqqtubsr% 4rNCHbGeaGqiVu0Je9sqqrpepC0xbbL8F4baFfea0dXde9vqpa0lb9% cq0dXdb9IqFHe9FjuP0-iq0dXdbba9pe0lb9hs0dXda91qaq-xfr-x% fj-hmeGabaqaciGacaGaaeqabaWaaeaaeaaakeaaieaacaWFTbGaa8% xAaiaa-5gacaWFPbGaa8xBaiaa-LgacaWF6bGaa8xzaiaa-bcacaWF% 7bacbiGaa43yamaaDaaaleaacaGFWaaabaGaa4hDaaaakiaa+Hhaca% GFRaGaa4hzamaaDaaaleaacaGFWaaabaGaa4hDaaaakiaa+LhacaGF% RaWaaabuaeaacaGFJbWaa0baaSqaaiaa+PgaaeaacaGF0baaaOGaam% iEaiabl+y6NjaadsgadaqhaaWcbaGaamOAaaqaaiaadshaaaGccaWG% 5bGaaiiFaaWcbaGaa8NAaiaa-1dacaWFXaaabeqdcqGHris5aOGaa4% hEaiabgIGiolaa+HfacaGFSaGaa4xEaiabgIGiolaa+LfacaWF9bGa% a8hlaaaa!5D2E!\[minimize \{ c_0^t x + d_0^t y + \sum\limits_{j = 1} {c_j^t xd_j^t y|} x \in X,y \in Y\} ,\]where X Rn1 and Y R
n2 are non-empty and bounded polytopes. We show that a variant of parametric simplex algorithm can solve large scale rank two bilinear programming problems efficiently. Also, we show that a cutting-cake algorithm, a more elaborate variant of parametric simplex algorithm can solve medium scale rank three problems.This research was supported in part by Grant-in-Aid for Scientific Research of the Ministry of Education, Science and Culture, Grant No. 63490010. 相似文献
46.
In this paper we propose a recursive quadratic programming algorithm for nonlinear programming problems with inequality constraints that uses as merit function a differentiable exact penalty function. The algorithm incorporates an automatic adjustment rule for the selection of the penalty parameter and makes use of an Armijo-type line search procedure that avoids the need to evaluate second order derivatives of the problem functions. We prove that the algorithm possesses global and superlinear convergence properties. Numerical results are reported. 相似文献
47.
In this paper we study constraint qualifications and duality results for infinite convex programs (P) = inf{f(x): g(x) – S, x C}, whereg = (g
1,g
2) andS = S
1 ×S
2,S
i
are convex cones,i = 1, 2,C is a convex subset of a vector spaceX, andf andg
i
are, respectively, convex andS
i
-convex,i = 1, 2. In particular, we consider the special case whenS
2 is in afinite dimensional space,g
2 is affine andS
2 is polyhedral. We show that a recently introduced simple constraint qualification, and the so-called quasi relative interior constraint qualification both extend to (P), from the special case thatg = g
2 is affine andS = S
2 is polyhedral in a finite dimensional space (the so-called partially finite program). This provides generalized Slater type conditions for (P) which are much weaker than the standard Slater condition. We exhibit the relationship between these two constraint qualifications and show how to replace the affine assumption ong
2 and the finite dimensionality assumption onS
2, by a local compactness assumption. We then introduce the notion of strong quasi relative interior to get parallel results for more general infinite dimensional programs without the local compactness assumption. Our basic tool reduces to guaranteeing the closure of the sum of two closed convex cones. 相似文献
48.
Convexlike and concavelike conditions in alternative,minimax, and minimization theorems 总被引:7,自引:0,他引:7
S. Paeck 《Journal of Optimization Theory and Applications》1992,74(2):317-332
Convexlike and concavelike conditions are of interest for extensions of the Von Neumann minimax theorem. Since the beginning of the 80's, these conditions also play a certain role in deriving generalized alternative theorems of the Gordan, Motzkin, and Farkas type and Lagrange multiplier results for constrained minimization problems.In this paper, we study various known convexlike conditions for vector-valued functions on a set and investigate convexlike and concavelike conditions for real-valued functions on a product setC×D, where we are mainly interested in the relationships between these conditions. At the end of the paper, we point out several conclusions from our results for the above-mentioned mathematical fields.The author is indebted to Dr. R. Reemtsen and Dr. V. Jeyakumar for their helpful comments during the preparations of this paper. 相似文献
49.
A constrained form of the Weber problem is formulated in which no path is permitted to enter a prespecified forbidden region of the plane. Using the calculus of variations the shortest path between two points which does not intersect is determined. If is unconstrained distance, we denote the shortes distance along a feasible path by . The constrained Weber problem is, then: given points and positive weights wj, j = 1,2,…,n, find a point such that is a minimum.An algorithm is formulated for the solution of this problem when is Euclidean distance and is a single circular region. Numerical results are presented. 相似文献
50.
H. J. Greenberg W. P. Pierskalla 《Journal of Optimization Theory and Applications》1975,16(5-6):409-428
The primary concern of this paper is to investigate stability conditions for the mathematical program: findx E
n that maximizesf(x):g
j(x)0 for somej J, wheref is a real scalarvalued function and eachg is a real vector-valued function of possibly infinite dimension. It should be noted that we allow, possibly infinitely many, disjunctive forms. In an earlier work, Evans and Gould established stability theorems wheng is a continuous finite-dimensional real-vector function andJ=1. It is pointed out that the results of this paper reduce to the Evans-Gould results under their assumptions. Furthermore, since we use a slightly more general definition of lower and upper semicontinuous point-to-set mappings, we can dispense with the continuity ofg (except in a few instances where it is implied by convexity assumptions). 相似文献