Electronic properties of magnetically doped nanotubes

Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr).     

The Influence and Interpretation of Surface Parameters for Wetting Transitions in Ternary Mixtures

Starting from a microscopic Hamiltonian defined on a semi-infinite cubic lattice, and employing a mean-field approximation, the surface parameters relevant for wetting in confined ternary mixtures are derived. These are found in terms of the microscopic coupling constants, and yield a physical interpretation of their origins. In comparison with the standard expression for the surface free-energy density, several new terms arising from the derivation are identified. The influence of the surface parameters on a predicted unbinding transition in a mixture of oil, water, and amphiphile demonstrate that existing results are robust to the addition of the extra surface terms.     

An application of chemometric techniques to analyze the effects of the wave function modifications on the intermolecular stretching frequencies of the hydrogen-bonded complexes

Factorial design and principal component models are used to determine how ab initio H-bond stretching frequencies depend on characteristics of the molecular orbital wave functions of acetylene–HX, ethylene–HX and cyclopropane–HX π-type hydrogen complexes with X=F, Cl, CN, NC and CCH. The results obtained for the three sets of complexes show that factorial design and principal component analyses complement each other. Factorial design calculations clearly show that these frequencies are affected mostly by inclusion of electron correlation on the calculation level. On average, their values are increased by about 25 cm⁻¹ due to a change from the Hartree–Fock (HF) to Möller–Plesset 2 (MP2) level. Valence, diffuse and polarization main effects as well as valence–diffuse, diffuse–correlation and polarization–correlation interaction effects are also important to better describe a factorial model to the H-bond stretching frequencies of these hydrogen complexes. This simplified model has been successful in reproducing the complete ab initio results, which correspond to two hundred and forty calculations. Principal component analyses applied only to hydrogen-bonded complexes whose experimental frequencies are known, has revealed that the six-dimensional original space can be accurately represented by a bidimensional space defined by two principal components. Its graphical representation reveals that the experimental intermolecular stretching frequencies are in closest agreement with the MP2/6–31+G and MP2/6–311+G ab initio results.     

High resistivity measurement of SiC wafers using different techniques

To establish fast, nondestructive, and inexpensive methods for resistivity measurements of SiC wafers, different resistivity-measurement techniques were tested for characterization of semi-insulating SiC wafers, namely, the four-point probe method with removable graphite contacts, the van der Pauw method with annealed metal and diffused contacts, the current-voltage (I-V) technique, and the contactless resistivity-measurement method. Comparison of different techniques is presented. The resistivity values of the semi-insulating SiC wafer measured using different techniques agree fairly well. As a result, application of removable graphite contacts is proposed for fast and nondestructive resistivity measurement of SiC wafers using the four-point probe method. High-temperature van der Pauw and room-temperature Hall characterization for the tested semi-insulating SiC wafer was also obtained and reported in this work.     

Experimental characterisation of the drying effect on uniaxial mechanical behaviour of mortar

The main objective of this present study was to evaluate, for a standard mortar, the drying effect on its mechanical behaviour. Numerous uniaxial compression tests were thus performed with loading-unloading cycles. They were carried out on different samples previously preserved under various conditions of conservation: preserved from desiccation, air drying and rapid drying at 60°C. The obtained results showed significant influences of these conditions on the material behaviour (increase in strength, decrease in Young's modulus and Poisson's ratio) and the necessity of taking into account the coupling effects between mechanical—poromechanical behaviours and drying.     

Magnetotransport Calculations for Two-Dimensional Electrons with Spin-Orbit Interaction

We present calculations of the magnetoconductivity in a two-dimensional electron system including the Rashba spin-orbit interaction. Essential for these calculations is an extension of the self-consistent Born approximation which takes into account the electron spin degree of freedom. The calculated magnetoconductivity exhibits, besides the beating in the Shubnikov-de Haas oscillations, a modulation related to the spin-orbit induced crossings of Landau levels, as a consequence of spin-conserving scattering between spin-orbit coupled states.     

Analysis of the mechanism of die soldering in aluminum die casting

A mechanism of soldering of an aluminum alloy die casting to a steel die is proposed. A soldering critical temperature is postulated, at which iron begins to react with aluminum to form an aluminum-rich liquid phase and solid intermetallic compounds. The liquid joins the die with the casting upon solidification. The critical temperature is determined by the elements in both the casting alloy and the die material and is equal to the solidus temperature of the resulting alloy. The critical temperature is used to predict the onset of die soldering, and the local liquid fraction is related to the soldering tendency. Experiments have been carried out to validate the concept and to determine the critical temperature for die soldering in an iron-aluminum system. Thermodynamic calculations are used to determine the critical temperature and soldering tendency for the cases of pure aluminum and a 380 alloy in a steel mold. Factors affecting the soldering tendency are discussed, and methods for reducing die soldering are suggested.     

Anthocyanin composition of the red wine Babić affected by maceration treatment

Identification of anthocyanins in the wine made of the Croatian autochthonous grape variety of Babić (Vitis vinifera L.) was carried out and their profile was determined by means of high-performance liquid chromatography with diode array and mass spectrometric detection. Dependence of anthocyanins content and profile on maceration treatment conditions was investigated. Statistically significant differences of anthocyanins concentration in wines Babić produced by various maceration treatments were confirmed by the use of multivariate analysis of variances. The investigation results indicated that the maceration temperature exerts higher influence on anthocyanins concentration than the duration of maceration. In addition, on the basis of anthocyanin composition and using different multivariate statistical analyses, differentiation of wines Babić according to maceration treatments was procured.