Solvent and substituent effects on spectroscopical changes of some diazoaminobenzene derivatives

A series of diazoaminobenzene derivatives (seven) in which the substituents have a wide range of electronic characters are set out to understand the involvement of the substituent identity in controlling the changes in their electronic absorption spectra. The interactions between the diazoamino group and the different groups account for some spectral shifts. The UV-vis spectrum of each compound is measured in several solvents with wide variations of solvent polarity parameters to examine the role of the chemistry of the solvent in these spectroscopical changes. The electronic transitions are assigned and the solvent induced spectral shifts are analyzed in relation to the different solute-solvent interaction mechanisms using computational chemistry. The regression analysis is applied for correlating the different parameters. The results help to assign the solute-solvent interactions and the solvatochromic potential of the investigated compounds. It is concluded that the electronic character of the substituent and the chemical nature of the solvent are the major factors for the observed solvatochromism.     

Preparation of Co3O4 nanoparticles by nonhydrolytic thermolysis of [Co(Pht)(H2O)]n polymers

Benzenedicarboxylate complexes, especially phthalate ones, can be significant precursors for the preparation of nano-sized metal and metal oxides. The injection of organic surfactants such as oleic acid (OA) and triphenylphosphine into molecular precursors has yielded samples with size control, narrow size distributions and crystallinity of individual nanocrystals. Fourier transform infrared and X-ray photoelectron spectroscopy revealed that the OA molecules were adsorbed on the ferromagnetic nanoparticles by chemisorption. The temperature-dependent magnetization curve in zero-field-cooled and field-cooled exhibit weak ferromagnetism of the Co₃O₄ nanoparticles. At 300 K the remanent magnetization is 0.02 emu/g, the coercive field is 441 Oe and the magnetization at saturation is 1.05 emu/g.     

Regeneration of surface roughness by the Langevin equation using stochastic analysis on AFM image of a carbon fiber

A new method was developed using AFM images of a fiber surface to regenerate the surface roughness in 3D geometry, such as the cylindrical shape of a “model” fiber. The Langevin equation was used to derive the fluctuations of a carbon fiber surface image. The equation contains two quantities, D⁽¹⁾ (h) and D⁽²⁾ (h) which in physics represent drift and diffusion coefficients. Knowing this coefficient and adding a proper noise function, a similar surface of larger dimension with the same statistical properties of the initial data was created. The generated surface was mapped into cylindrical coordinates, then a mesh generated. The resulting reconstructed surface, input over the geometry of a cylindrical shape, can be implemented for finite element analysis of a single fiber surrounded by matrix and generalized to a many fiber model.     

Channel Coordination with Cooperative Advertising Considering Effect of Advertising on Willingness to Pay

In this paper, cooperative advertising in a manufacturer–retailer supply chain is studied. Advertising can enhance willingness to pay (WTP) of customers. This trade-off between the benefits of increasing WTP of customers and the advertising expenditure is a key to understanding the retailers optimal advertising decision. On the other hand, it is interesting to understand in which condition supporting the retailer for his advertising expenditure is beneficial for the manufacturer. In this study, in order to capture pricing and advertising strategies of the channel member, three non-cooperative games including Nash, Stackelberg retailer and Stackelberg manufacturer game-theoretic models are established. In spite of the related studies which restrict price in order to prevent negative demand, the proposed model allows channel members to increase their prices by enhancing WTP of customers. In this study, contrary to similar additive form demand functions applied in the co-op ad literature which limits their studies for cases that profit function is concave with respect to variables, optimal prices and advertising strategies are obtained for all the solution space. Surprisingly for the very high values of the advertising effect coefficient, a finite optimal advertising expenditure is achieved.     

Comparison of graphs associated to a commutative Artinian ring

Let R be a commutative ring with \(1\ne 0\) and the additive group \(R^+\). Several graphs on R have been introduced by many authors, among zero-divisor graph \(\Gamma _1(R)\), co-maximal graph \(\Gamma _2(R)\), annihilator graph AG(R), total graph \( T(\Gamma (R))\), cozero-divisors graph \(\Gamma _\mathrm{c}(R)\), equivalence classes graph \(\Gamma _\mathrm{E}(R)\) and the Cayley graph \(\mathrm{Cay}(R^+ ,Z^*(R))\). Shekarriz et al. (J. Commun. Algebra, 40 (2012) 2798–2807) gave some conditions under which total graph is isomorphic to \(\mathrm{Cay}(R^+ ,Z^*(R))\). Badawi (J. Commun. Algebra, 42 (2014) 108–121) showed that when R is a reduced ring, the annihilator graph is identical to the zero-divisor graph if and only if R has exactly two minimal prime ideals. The purpose of this paper is comparison of graphs associated to a commutative Artinian ring. Among the results, we prove that for a commutative finite ring R with \(|\mathrm{Max}(R)|=n \ge 3\), \( \Gamma _1(R) \simeq \Gamma _2(R)\) if and only if \(R\simeq \mathbb {Z}^n_2\); if and only if \(\Gamma _1(R) \simeq \Gamma _\mathrm{E}(R)\). Also the annihilator graph is identical to the cozero-divisor graph if and only if R is a Frobenius ring.     

Solving structured nonsmooth convex optimization with complexity $$\mathcal {O}(\varepsilon ^{-1/2})$$

This paper describes an algorithm for solving structured nonsmooth convex optimization problems using the optimal subgradient algorithm (OSGA), which is a first-order method with the complexity \(\mathcal {O}(\varepsilon ^{-2})\) for Lipschitz continuous nonsmooth problems and \(\mathcal {O}(\varepsilon ^{-1/2})\) for smooth problems with Lipschitz continuous gradient. If the nonsmoothness of the problem is manifested in a structured way, we reformulate the problem so that it can be solved efficiently by a new setup of OSGA (called OSGA-V) with the complexity \(\mathcal {O}(\varepsilon ^{-1/2})\). Further, to solve the reformulated problem, we equip OSGA-O with an appropriate prox-function for which the OSGA-O subproblem can be solved either in a closed form or by a simple iterative scheme, which decreases the computational cost of applying the algorithm for large-scale problems. We show that applying the new scheme is feasible for many problems arising in applications. Some numerical results are reported confirming the theoretical foundations.     

A computation study on an integrated alternating direction method of multipliers for large scale optimization

The alternating direction method of multipliers (ADMM) has recently received a lot of attention especially due to its capability to harness the power of the new parallel and distributed computing environments. However, ADMM could be notoriously slow especially if the penalty parameter, assigned to the augmented term in the objective function, is not properly chosen. This paper aims to accelerate ADMM by integrating that with the Barzilai–Borwein gradient method and an acceleration technique known as line search. Line search accelerates an iterative method by performing a one-dimensional search along the line segment connecting two successive iterations. We pay a special attention to the large-scale nonnegative least squares problems, and our experiments using real datasets indicate that the integration not only accelerate ADMM but also robustifies that against the penalty parameter.     

Meshless local Petrov-Galerkin (MLPG) approximation to the two dimensional sine-Gordon equation

During the past few years, the idea of using meshless methods for numerical solution of partial differential equations (PDEs) has received much attention throughout the scientific community, and remarkable progress has been achieved on meshless methods. The meshless local Petrov-Galerkin (MLPG) method is one of the “truly meshless” methods since it does not require any background integration cells. The integrations are carried out locally over small sub-domains of regular shapes, such as circles or squares in two dimensions and spheres or cubes in three dimensions. In this paper the MLPG method for numerically solving the non-linear two-dimensional sine-Gordon (SG) equation is developed. A time-stepping method is employed to deal with the time derivative and a simple predictor-corrector scheme is performed to eliminate the non-linearity. A brief discussion is outlined for numerical integrations in the proposed algorithm. Some examples involving line and ring solitons are demonstrated and the conservation of energy in undamped SG equation is investigated. The final numerical results confirm the ability of proposed method to deal with the unsteady non-linear problems in large domains.     

On the limitations of classical benchmark functions for evaluating robustness of evolutionary algorithms

Although evolutionary algorithms (EAs) have some operators which let them explore the whole search domain, still they get trapped in local minima when multimodality of the objective function is increased. To improve the performance of EAs, many optimization techniques or operators have been introduced in recent years. However, it seems that these modified versions exploit some special properties of the classical multimodal benchmark functions, some of which have been noted in previous research and solutions to eliminate them have been proposed.In this article, we show that quite symmetric behavior of the available multimodal test functions is another example of these special properties which can be exploited by some EAs such as covariance matrix adaptation evolution strategy (CMA-ES). This method, based on its invariance properties and good optimization results for available unimodal and multimodal benchmark functions, is considered as a robust and efficient method. However, as far as black box optimization problems are considered, no special trend in the behavior of the objective function can be assumed; consequently this symmetry limits the generalization of optimization results from available multimodal benchmark functions to real world problems. To improve the performance of CMA-ES, the Elite search sub-algorithm is introduced and implemented in the basic algorithm. Importance and effect of this modification is illustrated experimentally by dissolving some test problems in the end.