Regular homomorphisms of minimal sets

The classification of minimal sets is a central theme in abstract topological dynamics. Recently this work has been strengthened and extended by consideration of homomorphisms. Background material is presented in Chapter I. Given a flow on a compact Hausdorff space, the action extends naturally to the space of closed subsets, taken with the Hausdorff topology. These hyperspaces are discussed and used to give a new characterization of almost periodic homomorphisms. Regular minimal sets may be described as minimal subsets of enveloping semigroups. Regular homomorphisms are defined in Chapter II by extending this notion to homomorphisms with minimal range. Several characterizations are obtained. In Chapter III, some additional results on homomorphisms are obtained by relativizing enveloping semigroup notions. In Veech's paper on point distal flows, hyperspaces are used to associate an almost one-to-one homomorphism with a given homomorphism of metric minimal sets. In Chapter IV, a non-metric generalization of this construction is studied in detail using the new notion of a highly proximal homomorphism. An abstract characterization is obtained, involving only the abstract properties of homomorphisms. A strengthened version of the Veech Structure Theorem for point distal flows is proved. In Chapter V, the work in the earlier chapters is applied to the study of homomorphisms for which the almost periodic elements of the associated hyperspace are all finite. In the metric case, this is equivalent to having at least one fiber finite. Strong results are obtained by first assuming regularity, and then assuming that the relative proximal relation is closed as well.

Almost Disjoint Families of Representing Sets

The thesis is concerned with a number of problems in Combinatorial Set Theory. The Generalized Continuum Hypothesis is assumed. Suppose X and K are non-zero cardinals. By successively identifying K with airwise disjoint sets of power K, a function/: X-*•K can be viewed as a transversal of a pairwise disjoint (X, K)family A . Questions about families of functions in K can thus bethought of as referring to families of transversals of A. We wish to consider generalizations of such questions to almost disjoint families; in particular we are interested in extensions of the following two problems: (i) What is the 'maximum' cardinality of an almost disjoint family of functions each mapping X into K? (ii) Describe the cardinalities of maximal almost disjoint families of functions each mapping X into K. Article in Bulletin of the Australian Mathematical Society 27(03):477 - 479 · June 1983  

Safe operation of transmission system considering EV at distribution level

In this paper, the IEEE 14 bus test system is used in order to perform adequacy assessment of a transmission system when large scale integration of electric vehicles is considered at distribution levels. In this framework, the symmetric/constr ained fuzzy power flow (SFPF/CFPF) was proposed. The SFPF/CFPF models are suitable to quantify the adequacy of transmission network to satisfy “reasonable demands for the transmission of electricity” as defined, for instance, in the European Directive 2009/72/EC. In this framework, electric vehicles of different types will be treated as fuzzy loads configuring part of the “reasonable demands”. With this study, it is also intended to show how to evaluate the amount of EVs that can be safely accommodated to the grid meeting a certain adequacy level.

Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems

The basis set superposition error-free second-order MØller-Plesset perturbation theory of intermolecular interactions was studied. The difficulties of the counterpoise (CP) correction in open-shell systems were also discussed. The calculations were performed by a program which was used for testing the new variants of the theory. It was shown that the CP correction for the diabatic surfaces should be preferred to the adiabatic ones

Second-order Møller-Plesset perturbation theory without basis set superposition error : II : open-shell systems

The basis set superposition error-free second-order MØller-Plesset perturbation theory of intermolecular interactions was studied. The difficulties of the counterpoise (CP) correction in open-shell systems were also discussed. The calculations were performed by a program which was used for testing the new variants of the theory. It was shown that the CP correction for the diabatic surfaces should be preferred to the adiabatic ones

The domain derivative in rough-surface scattering and rigorous estimates for first-order perturbation theory

We investigate Fréchet differentiability of the scattered field with respect to variation in the boundary in the case of time–harmonic acoustic scattering by an unbounded, sound–soft, one–dimensional rough surface. We rigorously prove the differentiability of the scattered field and derive a characterization of the Fréchet derivative as the solution to a Dirichlet boundary value problem. As an application of these results we give rigorous error estimates for first–order perturbation theory, justifying small perturbation methods that have a long history in the engineering literature. As an application of our rigorous estimates we show that a plane acoustic wave incident on a sound–soft rough surface can produce an unbounded scattered field.

The theory and practice of bank book-keeping, and joint stock accounts; exemplified and elucidated in a complete set of bank account books, (printed in colors,) arranged in accordance with the principles of double entry ...

Mode of access: Internet.

Design concept evaluation based on rough number and information entropy theory

Concept evaluation at the early phase of product development plays a crucial role in new product development. It determines the direction of the subsequent design activities. However, the evaluation information at this stage mainly comes from experts' judgments, which is subjective and imprecise. How to manage the subjectivity to reduce the evaluation bias is a big challenge in design concept evaluation. This paper proposes a comprehensive evaluation method which combines information entropy theory and rough number. Rough number is first presented to aggregate individual judgments and priorities and to manipulate the vagueness under a group decision-making environment. A rough number based information entropy method is proposed to determine the relative weights of evaluation criteria. The composite performance values based on rough number are then calculated to rank the candidate design concepts. The results from a practical case study on the concept evaluation of an industrial robot design show that the integrated evaluation model can effectively strengthen the objectivity across the decision-making processes.

Three Creative Tensions in Document Interpretation Theory Set as Evidence of the Need fora Descriptive Informatics

Describes three tensions in the theoretical literature of indexing: chief sources of evidence indexing, process of indexing (rubrics and methods), and philosophical position of indexing scholarship. Following this exposition, we argue for a change in perspective in Knowledge Organization research. Using the difference between prescriptive and descriptive linguis- tics as a metaphor, we advocate for a shift to a more descriptive, rather than the customary prescriptive, approach to the theo- retical and empirical study of indexing, and by extension Knowledge Organization.

Analyzing the n→π* Electronic Transition of Formaldehyde in Water. A Sequential Monte Carlo/Time-Dependent Density Functional Theory

The n→π* absorption transition of formaldehyde in water is analyzed using combined and sequential classical Monte Carlo (MC) simulations and quantum mechanics (QM) calculations. MC simulations generate the liquid solute-solvent structures for subsequent QM calculations. Using time-dependent density functional theory in a localized set of gaussian basis functions (TD-DFT/6-311++G(d,p)) calculations are made on statistically relevant configurations to obtain the average solvatochromic shift. All results presented here use the electrostatic embedding of the solvent. The statistically converged average result obtained of 2300 cm-1 is compared to previous theoretical results available. Analysis is made of the effective dipole moment of the hydrogen-bonded shell and how it could be held responsible for the polarization of the solvent molecules in the outer solvation shells.

Decision theory applied to image quality control in radiology

Background: The present work aims at the application of the decision theory to radiological image quality control ( QC) in diagnostic routine. The main problem addressed in the framework of decision theory is to accept or reject a film lot of a radiology service. The probability of each decision of a determined set of variables was obtained from the selected films. Methods: Based on a radiology service routine a decision probability function was determined for each considered group of combination characteristics. These characteristics were related to the film quality control. These parameters were also framed in a set of 8 possibilities, resulting in 256 possible decision rules. In order to determine a general utility application function to access the decision risk, we have used a simple unique parameter called r. The payoffs chosen were: diagnostic's result (correct/incorrect), cost (high/low), and patient satisfaction (yes/no) resulting in eight possible combinations. Results: Depending on the value of r, more or less risk will occur related to the decision-making. The utility function was evaluated in order to determine the probability of a decision. The decision was made with patients or administrators' opinions from a radiology service center. Conclusion: The model is a formal quantitative approach to make a decision related to the medical imaging quality, providing an instrument to discriminate what is really necessary to accept or reject a film or a film lot. The method presented herein can help to access the risk level of an incorrect radiological diagnosis decision.

Combining Monte Carlo simulation and density-functional theory to describe the spectral changes of Na(2) in liquid helium

Spectral changes of Na(2) in liquid helium were studied using the sequential Monte Carlo-quantum mechanics method. Configurations composed by Na(2) surrounded by explicit helium atoms sampled from the Monte Carlo simulation were submitted to time-dependent density-functional theory calculations of the electronic absorption spectrum using different functionals. Attention is given to both line shift and line broadening. The Perdew, Burke, and Ernzerhof (PBE1PBE, also known as PBE0) functional, with the PBE1PBE/6-311++G(2d,2p) basis set, gives the spectral shift, compared to gas phase, of 500 cm(-1) for the allowed X (1)Sigma(+)(g) -> B (1)Pi(u) transition, in very good agreement with the experimental value (700 cm(-1)). For comparison, cluster calculations were also performed and the first X (1)Sigma(+)(g) -> A (1)Sigma(+)(u) transition was also considered.

Density functional theory investigation of 3d, 4d, and 5d 13-atom metal clusters

The knowledge of the atomic structure of clusters composed by few atoms is a basic prerequisite to obtain insights into the mechanisms that determine their chemical and physical properties as a function of diameter, shape, surface termination, as well as to understand the mechanism of bulk formation. Due to the wide use of metal systems in our modern life, the accurate determination of the properties of 3d, 4d, and 5d metal clusters poses a huge problem for nanoscience. In this work, we report a density functional theory study of the atomic structure, binding energies, effective coordination numbers, average bond lengths, and magnetic properties of the 3d, 4d, and 5d metal (30 elements) clusters containing 13 atoms, M(13). First, a set of lowest-energy local minimum structures (as supported by vibrational analysis) were obtained by combining high-temperature first- principles molecular-dynamics simulation, structure crossover, and the selection of five well-known M(13) structures. Several new lower energy configurations were identified, e. g., Pd(13), W(13), Pt(13), etc., and previous known structures were confirmed by our calculations. Furthermore, the following trends were identified: (i) compact icosahedral-like forms at the beginning of each metal series, more opened structures such as hexagonal bilayerlike and double simple-cubic layers at the middle of each metal series, and structures with an increasing effective coordination number occur for large d states occupation. (ii) For Au(13), we found that spin-orbit coupling favors the three-dimensional (3D) structures, i.e., a 3D structure is about 0.10 eV lower in energy than the lowest energy known two-dimensional configuration. (iii) The magnetic exchange interactions play an important role for particular systems such as Fe, Cr, and Mn. (iv) The analysis of the binding energy and average bond lengths show a paraboliclike shape as a function of the occupation of the d states and hence, most of the properties can be explained by the chemistry picture of occupation of the bonding and antibonding states.

Structure, stability, depolarized light scattering, and vibrational spectra of fullerenols from all-electron density-functional-theory calculations

We have investigated the stability, electronic properties, Rayleigh (elastic), and Raman (inelastic) depolarization ratios, infrared and Raman absorption vibrational spectra of fullerenols [C(60)(OH)(n)] with different degrees of hydroxylation by using all-electron density-functional-theory (DFT) methods. Stable arrangements of these molecules were found by means of full geometry optimizations using Becke's three-parameter exchange functional with the Lee, Yang, and Parr correlation functional. This DFT level has been combined with the 6-31G(d,p) Gaussian-type basis set, as a compromise between accuracy and capability to treat highly hydroxylated fullerenes, e.g., C(60)(OH)(36). Thus, the molecular properties of fullerenols were systematically analyzed for structures with n=1, 2, 3, 4, 8, 10, 16, 18, 24, 32, and 36. From the electronic structure analysis of these molecules, we have evidenced an important effect related to the weak chemical reactivity of a possible C(60)(OH)(24) isomer. To investigate Raman scattering and the vibrational spectra of the different fullerenols, frequency calculations are carried out within the harmonic approximation. In this case a systematic study is only performed for n=1-4, 8, 10, 16, 18, and 24. Our results give good agreements with the expected changes in the spectral absorptions due to the hydroxylation of fullerenes.