Correlation between the real Co particle size distributions and the magnetic properties of GMR Cu–10Co alloy

The results of transmission electron microscopy (TEM), magnetic and magneto-resistivity investigations of the Cu–10Co (wt%) giant magneto-resistance (GMR) melt-spun ribbons are reported and discussed. To obtain different distributions of ferromagnetic Co particles in a non-magnetic Cu matrix, the alloy was aged at 550 °C for 0.5, 1, 2, 16, and 32 h. Particle size measurements were performed using quantitative TEM metallography methods. Two size classes of Co particles are identified: primary particles (P) precipitated during the melt-spinning process and the secondary particles (S) precipitated during the ageing process. The results of magnetization and coercitivity are correlated with the results of calculations based on the real Co particle distributions determined from TEM micrographs. The behavior of magnetization and coercive force in function of ageing time is explained as related with changes of a mean particle size. It is shown that the GMR effect is not influenced by Co particles distribution for the S particles with the mean size less than 10 nm, whereas for Co distributions with larger mean diameters, the GMR effect is strongly reduced.     

Molecular dynamics modeling in quantum chemical calculations. Optical absorption spectra of 1,3-Dimethyl-1H-Pyrazolo[3,4-b]quinoline derivatives

Paper presents the quantum chemical modeling of the optical absorption spectra of 6-fluoro, 6-bromo, 7-trifluoromethyl, 6-cyano and 6-carboethoxy derivatives of 1,3-Dimethyl-1H-Pyrazolo[3,4-b]quinoline. The calculations are performed by means of the semiempirical quantum chemical methods (AM1 or PM3) in combination with molecular dynamics (MD) simulations at T=300 K. It is shown that a particular rotational dynamics of the methyl, trifluoromethyl or ethyl groups practically does not influence the optical absorption in the spectral range 200-500 nm whereas broadening of absorption bands may be well reproduced within MD simulations including all types of nuclei vibrations. The results of calculations are compared with the measured spectra of optical absorption. The quantum chemical method AM1 in combination with MD simulations gives for all dyes the best agreement between the calculated and measured spectral positions of the first absorption band (absorption threshold).     

An analysis of maximum clique formulations and saturated linear dynamical network

Several formulations and methods used in solving an NP-hard discrete optimization problem, maximum clique, are considered in a dynamical system perspective proposing continuous methods to the problem. A compact form for a saturated linear dynamical network, recently developed for obtaining approximations to maximum clique, is given so its relation to the classical gradient projection method of constrained optimization becomes more visible. Using this form, gradient-like dynamical systems as continuous methods for finding the maximum clique are discussed. To show the one to one correspondence between the stable equilibria of the saturated linear dynamical network and the minima of objective function related to the optimization problem, La Salle's invariance principle has been extended to the systems with a discontinuous right-hand side. In order to show the efficiency of the continuous methods simulation results are given comparing saturated the linear dynamical network, the continuous Hopfield network, the cellular neural networks and relaxation labelling networks. It is concluded that the quadratic programming formulation of the maximum clique problem provides a framework suitable to be incorporated with the continuous relaxation of binary optimization variables and hence allowing the use of gradient-like continuous systems which have been observed to be quite efficient for minimizing quadratic costs.     

Removal of uranium from aqueous solutions by diatomite (Kieselguhr)

In this study, the removal of uranium from aqueous solutions by diatomite earth (Kieselguhr) fine particules has been investigated. Diatomite earth is an important adsorbent material in chromatographic studies. Uranium adsorption capacity of four different types of diatomite was determined. The adsorption of uranium on the chosen diatomite sample was examined as a function of uranium concentration, solution pH, contact time and temperature. The adsorption of uranium on diatomite followed a Langmuir-type isotherm.     

Oscillator strengths for singly ionized oxygen

The electric dipole oscillator strengths for multiplet and individual lines between some doublet and quartet levels have been calculated using the weakest bound electron potential model theory (WBEPMT) in singly ionized oxygen. We employed both numerical Coulomb approximation (NCA) wave functions and numerical non-relativistic Hartree-Fock (NRHF) wave functions for expectation values of radii in determination of parameters. The calculated oscillator strengths have been compared with available theoretical and experimental results. A good agreement with results in literature has been obtained. Moreover, oscillator strengths not existing in the literature for some highly excited levels have been obtained using this method. Electronic supplementary material  Supplementary Online Material     

Crystal field in RPdIn (R=Ce, Pr, Nd) compounds

The RPdIn compounds (R = rare earth) crystallise in the hexagonal ZrNiAl-type crystal structure. The compounds from this family exhibit a great variety of interesting magnetic properties including heavy fermion behaviour. In order to get a deeper insight into nature of magnetism of RPdIn with light rare earths elements (La–Nd) an inelastic neutron scattering experiment was performed. For compounds with Pr and Nd excitations due to crystal field were clearly distinguished. On the other hand, interesting behaviour for the CePdIn sample was observed. The sample exhibits no signs of crystal field excitations, likely due to highly delocalised Ce 4f states leading to its heavy fermion behaviour.     

Dynamical algebras for Pöschl-Teller Hamiltonian hierarchies

The dynamical algebras of the trigonometric and hyperbolic symmetric Pöschl-Teller Hamiltonian hierarchies are obtained. A kind of discrete-differential realizations of these algebras are found which are isomorphic to so(3, 2) Lie algebras. In order to get them, first the relation between ladder and factor operators is investigated. In particular, the action of the ladder operators on normalized eigenfunctions is found explicitly. Then, the whole dynamical algebras are generated in a straightforward way.     

Mechanisms and parameters of transients and oscillations of delayed chlorophyll fluorescence in the thylakoid membrane of the intact maize leaf

Standard induction processes of delayed fluorescence (DF) of chlorophyll (induction signals) occur when an intact leaf segment of maize inbreds and hybrids is initially kept in the phosphoroscope darkroom for more than 15 min (τ > 15 min), and then the leaf is illuminated with the intermittent white light and measured. Resolved induction processes of DF chlorophyll into transients: A, B, C, D, and E occur when the intact leaf segment of maize inbreds and hybrids is kept in the phosphoroscope darkroom for a significantly shorter period (30 s ≤ τ ≤ 240 s), with the time rate τ of 30 s, prior to its illumination with the intermittent white light. Induction transients: A, B, C, D, and E are characterised with their temporal parameters: t _A, t _B, t _C, t _D, and t _E, dynamics of changes in transients intensities and mechanisms of their generation. The induction processes of chlorophyll DF of the intact leaf of maize inbreds and hybrids resolved into transients: A, B, C, D, and E are accompanied by the occurrence and different levels of activation energy (E _a, kJ mol⁻¹) that correspond to different critical temperatures. The generation mechanisms of induction transients: A, B, C, D, and E are classified into two groups. Transients A and B are of a physical character, while the transients: C, D, and E are of a chemical character. It is shown that the generation of the induction transients: B, C, D, and E simultaneously follows establishing of the oscillations of induction processes of the DF chlorophyll. Oscillating of induction processes of DF chlorophyll is explained by the ion (K⁺, Na⁺, H⁺, Cl⁻) transport mechanism across the thylakoid membrane of the intact leaf of maize inbreds and hybrids grown under conditions of air drought, increased temperatures and water deficiency in the medium. The article is published in the original.     

UPLC-UV-MSE analysis for quantification and identification of major carotenoid and chlorophyll species in algae

A fast method for quantification and identification of carotenoid and chlorophyll species utilizing liquid chromatography coupled with UV detection and mass spectrometry has been demonstrated and validated for the analysis of algae samples. This method allows quantification of targeted pigments and identification of unexpected compounds, providing isomers separation, UV detection, accurate mass measurements, and study of fragment ions for structural elucidation in a single run. This is possible using parallel alternating low- and high-energy collision spectral acquisition modes, which provide accurate mass full scan chromatograms and accurate mass high-energy chromatograms. Here, it is shown how this approach can be used to confirm carotenoid and chlorophyll species by identification of key diagnostic fragmentations during high-energy mode. The developed method was successfully applied for the analysis of Dunaliella salina samples during defined red LED lighting growth conditions, identifying 37 pigments including 19 carotenoid species and 18 chlorophyll species, and providing quantification of 7 targeted compounds. Limit of detections for targeted pigments ranged from 0.01?ng/mL for lutein to 0.24?ng/mL for chlorophyll a. Inter-run precision ranged for of 3 to 24 (RSD%) while inter-run inaccuracy ranged from ?17 to 11.

The effect of PVA (Bi2O3-doped) interfacial layer and series resistance on electrical characteristics of Au/n-Si (110) Schottky barrier diodes (SBDs)

Two types of Schottky Barrier Diodes (SBDs) with and without PVA (Bi₂O₃-doped) polymeric interfacial layer, were fabricated and measured at room temperature in order to investigate the effects of the PVA (Bi₂O₃-doped) interfacial layer on the main electrical parameters such as the ideality factor (n), zero-bias barrier height (Φ_B0), series resistance (R_s) and interface-state density (N_ss). Electrical parameters of these two diodes were calculated from the current-voltage (I-V) characteristics and compared with each other. The values of Φ_B0, n and R_s for SBDs without polymeric interfacial layer are 0.71 eV, 1.44 and 4775 Ω, respectively. The values of Φ_B0, n and R_s for SBDs with PVA (Bi₂O₃-doped) polymeric interfacial layer are 0.74 eV, 3.49 and 10,030 Ω, respectively. For two SBDs, the energy density distribution profiles of interface states (N_ss) were obtained from forward-bias I-V measurements by taking the bias dependence of R_s of these devices into account. The values of N_ss obtained for the SBD with PVA (Bi₂O₃-doped) polymeric interfacial layer are smaller than those of the SBD without polymeric interfacial layer.