Solid deformation induced by the adsorption of methane and methanol under sub- and supercritical conditions

Carbonaceous materials with some degree of flexibility in their physical structure can expand or contract under the influence of the forces exerted by adsorbed molecules. To gain insight into how adsorption of non-polar and polar fluids could deform a carbon solid, we present GCMC simulations of sub- and supercritical adsorption of methane and methanol in slit-shaped pores whose walls are made of graphene layers. Our extensive simulation study shows that there is a strong correlation between solvation pressure and solid deformation, and that the expansion or contraction of the pore strongly depends on adsorbate loading, temperature and pore size.     

On the formation mechanism for electrically generated exciplexes in a carbazole–pyridine copolymer

Although carbazole‐containing copolymers are frequently used as hole‐transporting host materials for polymer organic light‐emitting diodes (OLEDs), they often suffer from the formation of undesired exciplexes when the OLED is operated. The reason why exciplexes sometimes form for electrical excitation, yet not for optical excitation is not well understood. Here, we use luminescence measurements and quantum chemical calculations to investigate the mechanism of such exciplex formation for electrical excitation (electroplex formation) in a carbazole–pyridine copolymer. Our results suggest that the exciplex is formed via a positively charged interchain precursor complex. This complex is stabilized by interactions that involve the nitrogen lone pairs on both chain segments. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

Heavy doping effects on donor-acceptor spectra of polar semiconductors at low temperatures

The heavy doping effects on donor-acceptor (DA)-pair spectra at small DA-pair distances R are investigated, basing on an effective screened impurity potential model given by Morgan and on the results of the R-dependent electron (hole)—longitudinal optical phonon interaction energy obtained by Kartheuser et al. It is suggested that the deviation of the electron—hole recombination energy by dense impurities (or at small R), found from the energy of the emitted photon for a zero-phonon transition, results from the band-gap narrowing effect.At large R, we have found that the energy gap of the pure ZnSe crystal is equal to 2.827 eV, in good agreement with observed results. Finally, at small R, our numerical results applied to ZnSe doped with ln and Li impurities are compared with other theories and with observed results.     

Structure of Pareto optima in an infinite-horizon economy where agents have recursive preferences

This article generalizes the one-agent growth theory with discounting to the case of several agents with recursive preferences. In a multi-consumption goods world, we show that, under some regularity conditions, any Pareto optimum can be viewed as a function of a trajectory of a dynamical system. The state space can be chosen to be the product of the space of capitals and the unit simplex. We define and study the properties of generalized value functions.     

Mixed parallel processors with interdependent blocking

This paper studies a system of parallel service facilities or processors with mixed exponential and non-exponential queues, a non-exponential finite source input and interdependent arrival as well as departure blocking such as due to a common pool or shared resource. A concrete invariance condition upon the blocking protocol is provided. Under this condition the stationary busy source distribution is shown to be of an insensitive product form. The result unifies and extends known product form results as will be illustrated by several examples.     

Benchmarking state-of-the-art classification algorithms for credit scoring

In this paper, we study the performance of various state-of-the-art classification algorithms applied to eight real-life credit scoring data sets. Some of the data sets originate from major Benelux and UK financial institutions. Different types of classifiers are evaluated and compared. Besides the well-known classification algorithms (eg logistic regression, discriminant analysis, k-nearest neighbour, neural networks and decision trees), this study also investigates the suitability and performance of some recently proposed, advanced kernel-based classification algorithms such as support vector machines and least-squares support vector machines (LS-SVMs). The performance is assessed using the classification accuracy and the area under the receiver operating characteristic curve. Statistically significant performance differences are identified using the appropriate test statistics. It is found that both the LS-SVM and neural network classifiers yield a very good performance, but also simple classifiers such as logistic regression and linear discriminant analysis perform very well for credit scoring.     

On Solvability of a Boundary Value Problem for Singular Integral Equations

This paper deals with the solvability of boundary value problems for singular integral equations of the form (i)-(ii).By an algebraic method we reduce the problem (i)-(ii) to a system of linear algebraic equations which gives all solutions in a closed form.AMS Subject Classification: 47G05, 45GO5, 45E05