Density Functional Calculation of the Photoelectron Emission Spectra of BiSCl Crystal and Molecular Clusters

The photoelectron emission spectra of BiSCl crystal and molecular clusters have been calculated by the Density Functional Theory (DFT) method. Molecular clusters consists from 2 to 20 molecules in one double chain along z(c) axis. Total and partial density of states of BiSCl crystal and clusters have been weighted with atomic photoemission emission cross-section. The molecular clusters have been investigated including all normal modes of vibration. Theoretical results of BiSCl crystal and molecular clusters have been compared with experimental X-ray photoelectron emission spectra (XPS) of BiSI crystal.     

Quantification of the evolution of shape storage and recovery in thermally responsive shape memory polymers

This study demonstrates the relevance of strain and stress storage/recovery profiles for the thermomechanical behaviour of thermally responsive Shape Memory Polymers (SMPs). It is shown how these experimentally determined profiles may be used for the development, calibration and validation of continuum-based models describing the shape memory effect in polymeric materials. The presented methodology applies both to small and finite strain deformation problems under the assumption of constant strain and cooling/heating rates. (© 2010 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

On Large Deviations of Vector-Valued Additive Functions of a Markov Gaussian Field

We prove a local limit theorem for large deviations of the sums , where , is a Markov Gaussian random field, is a bounded vector-valued function, and . This paper generalizes the paper [13].     

Simultaneous purification of sewage from Cd(II) and nonionic surfactant with cation exchanger

The sorption of nonionic surfactant (alkylmonoethers ALM-10), taking place simultaneously with the sorption of Cd(II) in H-form of polyacrylic cation exchangers KB-2 and KB-2-12P was investigated. Increasing the sorption of surfactant the decrease in both the stability of Cd(II) complex with cation exchanger and the equilibrium sorption of Cd(II) was observed. The isotherms of the sorption were measured; the coefficients of intraparticle diffusion (D) were calculated. The integration of the filter filled with polyacrylic cation exchanger into the system of sewage purification is suggested.     

Light Engineering and Silicon Diffractive Optics Assisted Nonparaxial Terahertz Imaging

The art of light engineering unveils a world of possibilities through the meticulous manipulation of photonic properties such as intensity, phase, and polarization. Precision control over these properties finds application in a variety of fields spanning communications, light–matter interactions, laser direct writing, and imaging. Terahertz (THz) range, nestled between microwaves and infrared light, stands out for its remarkable ability to propagate with minimal losses in numerous dielectric materials and compounds, making THz imaging a powerful tool for noninvasive control and inspection. In this study, a rational framework for the design and optimal assembly of nonparaxial THz imaging systems is established. The research is centered on lensless photonic systems composed solely of high-resistivity silicon-based nonparaxial elements such as the Fresnel zone plate, the Fibonacci lens, the Bessel axicon, and the Airy zone plate, all fabricated using laser ablation technology. Through a comprehensive examination through illumination engineering and scattered light collection from raster-scanned samples in a single-pixel detector scheme, the imaging systems are evaluated via diverse metrics including contrast, resolution, depth of field, and focus. These findings chart an exciting course toward the development of compact and user-friendly THz imaging systems where sensors and optical elements seamlessly integrate into a single chip.     

On temporal logic S4Dbr

In this paper, we study the temporal logic S4Dbr with two temporal operators “always” and “eventually.” An equivalent sequent calculus is presented with formulae as modal clauses or modal clauses starting with operator “always.” An upper bound of deduction tree is given for propositional logic. A theorem prover for propositional logic is written in SWI-Prolog. Published in LietuvosMatematikos Rinkinys, Vol. 46, No. 2, pp. 203–214, April–June, 2006.     

Estimation of a Finite Population Total for a Censored Regression Model for a Study Variable

A model-based estimator of a finite population total using a tobit model for a study variable is proposed. Formulas for its approximate bias, approximate variance and an estimator of the variance are given. Simulation results show situations of possible effective applications of the model. The study is supported by the Nordplus Neighbour program of the Nordic Council of Ministers.     

On some inequalities of probabilistic number theory

Let Q ₊ denote the set of positive rational numbers. We define discrete probability measures ν _x on the σ-algebra of subsets of Q ₊.We introduce additive functions ƒ: Q ₊ → G and obtain a bound for ν_x(ƒ (r) ∉ X+X−X) using a probability related to some independent random variables. This inequality is an analogue to that proved by I. Ruzsa for additive arithmetical functions. Published in Lietuvos Matematikos Rinkinys, Vol. 46, No. 2, pp. 256–266, April–June, 2006.     

Synthesis of substituted 1,3,4-oxadiazole derivatives

Monosubstituted oxadiazoles were synthesized by the reaction of hydrazides with triethyl orthoformate. Their reactions with benzoyl chloride gave benzoylcarbohydrazides, which under the action of thionyl chloride were cyclized to the respective 2,5-disubstituted oxadiazoles. 1-Aryl-4-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-pyrrolidin-2-ones were synthesized from acid hydrazides using carbon disulfide under basic conditions. Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 2, pp. 269-272, February, 2009.