Generalized simulated annealing: Application to silicon clusters

We have compared the recently introduced generalized simulated annealing (GSA) with conventional simulated annealing (CSA). GSA was tested as a tool to obtain the ground-state geometry of molecules. We have used selected silicon clusters (Sin, n=4-7,10) as test cases. Total energies were calculated through tight-binding molecular dynamics. We have found that the replacement of Boltzmann statistics (CSA) by Tsallis's statistics (GSA) has the potential to speed up optimizations with no loss of accuracy. Next, we applied the GSA method to study the ground-state geometry of a 20-atom silicon cluster. We found an original geometry, apparently lower in energy than those previously described in the literature.

A generalized theory of electrical characteristics of schottky barriers for amorphous materials

In the present paper, we discuss a generalized theory of electrical characteristics for amorphous semiconductor (or insulator) Schottky barriers, considering: (i) surface states, (ii) doping impurity states at a single energy level and (iii) energetically distributed bulk impurity states. We also consider a thin oxide layer (≈10 Å) between metal and semiconductor. We develop current versus applied potential characteristics considering the variation of the Fermi level very close to contact inside the semiconductor and decrease in barrier height due to the image force effect as well as potential fall on the oxide layer. Finally, we discuss the importance of each parameter, i.e. surface states, distributed impurity states, doping impurity states, thickness of oxide layer etc. on the log I versus applied potential characteristics. The present theory is also applicable for intimate contact, i.e. metal-semiconductor contact, crystalline material structures or for Schottky barriers in insulators or polymers.

Some comments on the bi(tri)-Hamiltonian structure of generalized AKNS and DNLS hierarchies

We give the correct prescriptions for the terms involving ∂ -1 xδ(x - y), in the Hamiltonian structures of the AKNS and DNLS systems, necessary for the Jacobi identities to hold. We establish that the sl(2) and sl(3) AKNS systems are tri-Hamiltonians and construct two compatible Hamiltonian structures for the sl(n) AKNS system. We give a method for the derivation of the recursion operator for the sl(n + 1) DNLS system, and apply it explicitly to the sl(2) case, showing that such a system is tri-Hamiltonian. © 1998 Elsevier Science B.V.

Generalized polarizabilities and electroexcitation of the nucleon

Generalized nucleon polarizabilities for virtual photons can be defined in terms of electroproduction cross sections as function of the 4-momentum transfer Q2. In particular, the sum of the generalized electric and magnetic polarizabilities ∑ = α + β and the spin polarizability γ can be expressed by virtual photon absorption cross sections integrated over the excitation energy. These quantities have been calculated within the framework of the recently developed unitary isobar model for pion photo- and electroproduction on the proton, which describes the available experimental data up to an excitation energy of about 1 GeV. Our results have been compared to the predictions of chiral perturbation theory. © 1999 Elsevier Science B.V. All rights reserved.

Extended Hierarchical Censored Production Rules (EHCPRs) system: An approach toward generalized knowledge representation

One common problem in all basic techniques of knowledge representation is the handling of the trade-off between precision of inferences and resource constraints, such as time and memory. Michalski and Winston (1986) suggested the Censored Production Rule (CPR) as an underlying representation and computational mechanism to enable logic based systems to exhibit variable precision in which certainty varies while specificity stays constant. As an extension of CPR, the Hierarchical Censored Production Rules (HCPRs) system of knowledge representation, proposed by Bharadwaj & Jain (1992), exhibits both variable certainty as well as variable specificity and offers mechanisms for handling the trade-off between the two. An HCPR has the form: Decision If(preconditions) Unless(censor) Generality(general_information) Specificity(specific_information). As an attempt towards evolving a generalized knowledge representation, an Extended Hierarchical Censored Production Rules (EHCPRs) system is suggested in this paper. With the inclusion of new operators, an Extended Hierarchical Censored Production Rule (EHCPR) takes the general form: Concept If (Preconditions) Unless (Exceptions) Generality (General-Concept) Specificity (Specific Concepts) Has_part (default: structural-parts) Has_property (default:characteristic-properties) Has_instance (instances). How semantic networks and frames are represented in terms of an EHCPRs is shown. Multiple inheritance, inheritance with and without cancellation, recognition with partial match, and a few default logic problems are shown to be tackled efficiently in the proposed system.

Composition for a class of generalized functions in Colombeau's theory

In Colombeau's theory, given an open subset Ω of ℝn, there is a differential algebra G(Ω) of generalized functions which contains in a natural way the space D′(Ω) of distributions as a vector subspace. There is also a simpler version of the algebra G,(Ω). Although this subalgebra does not contain, in canonical way, the space D′(Ω) is enough for most applications. This work is developed in the simplified generalized functions framework. In several applications it is necessary to compute higher intrinsic derivatives of generalized functions, and since these derivatives are multilinear maps, it is necessary to define the space of generalized functions in Banach spaces. In this article we introduce the composite function for a special class of generalized mappings (defined in open subsets of Banach spaces with values in Banach spaces) and we compute the higher intrinsic derivative of this composite function.

Generalized ladder operators for shape-invariant potentials

A general form for ladder operators is used to construct a method to solve bound-state Schrödinger equations. The characteristics of supersymmetry and shape invariance of the system are the start point of the approach. To show the elegance and the utility of the method we use it to obtain energy spectra and eigenfunctions for the one-dimensional harmonic oscillator and Morse potentials and for the radial harmonic oscillator and Coulomb potentials.

Assignment of the bisulfide bridges in bothropstoxin-I, a Myonecrotic Lys49 PLA2 homolog from bothrops jararacussu snake venom

Bothropstoxin-I (BthTX-I), a Lys49 phospholipase A2 homolog with no apparent catalytic activity, was first isolated from Bothrops jararacussu snake venom and completely sequenced in this laboratory. It is a 121-amino-acid single polypeptide chain, highly myonecrotic, despite its inability to catalyze hydrolysis of egg yolk phospholipids, and has 14 half-cystine residues identified at positions 27, 29, 44, 45, 50, 51, 61, 84, 91, 96, 98, 105, 123, and 131 (numbering according to the conventional alignment including gaps, so that the last residue is Cys 131). In order to access its seven disulfide bridges, two strategies were followed: (1) Sequencing of isolated peptides from (tryptic + SV8) and chymotryptic digests by Edman-dansyl degradation; (2) crystallization of the protein and determination of the crystal structure so that at least two additional disulfide bridges could be identified in the final electron density map. Identification of the disulfide-containing peptides from the enzymatic digests was achieved following the disappearance of the original peptides from the HPLC profile after reduction and carboxymethylation of the digest. Following this procedure, four bridges were initially identified from the tryptic and SV8 digests: Cys50-Cysl31, Cys51-Cys98, Cys61-Cys91, and Cys84-Cys96. From the chymotryptic digest other peptides were isolated either containing some of the above bridges, therefore confirming the results from the tryptic digest, or presenting a new bond between Cys27 and Cys 123. The two remaining bridges were identified as Cys29-Cys45 and Cys44-Cysl05 by determination of the crystal structure, showing that BthTX-I disulfide bonds follow the normal pattern of group II PLA2s. © 2001 Plenum Publishing Corporation.

On the resolution of the generalized nonlinear complementarity problem

Minimization of a differentiable function subject to box constraints is proposed as a strategy to solve the generalized nonlinear complementarity problem (GNCP) defined on a polyhedral cone. It is not necessary to calculate projections that complicate and sometimes even disable the implementation of algorithms for solving these kinds of problems. Theoretical results that relate stationary points of the function that is minimized to the solutions of the GNCP are presented. Perturbations of the GNCP are also considered, and results are obtained related to the resolution of GNCPs with very general assumptions on the data. These theoretical results show that local methods for box-constrained optimization applied to the associated problem are efficient tools for solving the GNCP. Numerical experiments are presented that encourage the use of this approach.

Higher grading conformal affine Toda theory and (generalized) sine-Gordon/massive Thirring duality

Some properties of the higher grading integrable generalizations of the conformal affine Toda systems are studied. The fields associated to the non-zero grade generators are Dirac spinors. The effective action is written in terms of the Wess-Zumino-Novikov-Witten (WZNW) action associated to an affine Lie algebra, and an off-critical theory is obtained as the result of the spontaneous breakdown of the conformal symmetry. Moreover, the off-critical theory presents a remarkable equivalence between the Noether and topological currents of the model. Related to the off-critical model we define a real and local lagrangian provided some reality conditions are imposed on the fields of the model. This real action model is expected to describe the soliton sector of the original model, and turns out to be the master action from which we uncover the weak-strong phases described by (generalized) massive Thirring and sine-Gordon type models, respectively. The case of any (untwisted) affine Lie algebra furnished with the principal gradation is studied in some detail. The example of s^l(n) (n = 2, 3) is presented explicitly. © SISSA/ISAS 2003.

Problem of assignment cells to switches in a cellular mobile network via beam search method

The problem of assigning cells to switches in a cellular mobile network is an NP-hard optimization problem. So, real size mobile networks could not be solved by using exact methods. The alternative is the use of the heuristic methods, because they allow us to find a good quality solution in a quite satisfactory computational time. This paper proposes a Beam Search method to solve the problem of assignment cell in cellular mobile networks. Some modifications in this algorithm are also presented, which allows its parallel application. Computational results obtained from several tests confirm the effectiveness of this approach to provide good solutions for medium- and large-sized cellular mobile network.

A generalized Riemann- Stieltjes integral on time scales and discontinuous dynamical equations

This paper is concerned with a generalization of the Riemann- Stieltjes integral on time scales for deal with some aspects of discontinuous dynamic equations in which Riemann-Stieltjes integral does not works. © 2011 Academic Publications.

Encoding through generalized polynomial codes

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Necessary and sufficient condition for generalized passivity, passification and application to multivariable adaptive systems

Recently, a generalized passivity concept for linear multivariable systems was obtained which allows circumventing the restrictiveness of the usual passivity concept. The latter is associated with the classical SPR (Strictly Positive Real) condition whereas the new concept of passivity is associated with the so called WSPR condition and its advantage in multivariable systems is that it does not require a restrictive symmetry condition of SPR systems. As a result, it allows the design of multivariable adaptive control that, unlike some existing factorization approaches, does not imply in additional overparameterization of the adaptive controller. In this paper, we complete a previously established WSPR sufficient condition and prove that it is also necessary. We also propose some methods of passification by either premultiplying the system output tracking error vector or the system input vector by an adequate passifying matrix multiplier, so that the resulting input/output transfer function becomes WSPR. The efficiency of our proposals are illustrated by simulation utilizing a well known robotics adaptive visual servoing problem. © 2011 IFAC.

An analysis of Generalized Symmetrical Components in non sinusoidal three phase systems

This paper presents the study of the so called Generalized Symmetrical Components, proposed by Tenti et. al. to the analysis of unbalanced periodic non sinusoidal three phase systems. As a result, it was possible to establish a proper relationship between such of generalized symmetrical components and Fortescue symmetrical components to the harmonic frequencies that compose a generic periodic non sinusoidal three phase system. © 2011 IEEE.