Radiospectroscopic and dielectric spectra of nanomaterials

The shape of lines in the radiospectroscopic (NMR and EPR) and dielectric spectra of materials formed by nanoparticles (hereafter, nanomaterials) is analyzed theoretically. The theory is developed in the framework of the core and shell model according to which a nanoparticle consists of two regions whose properties are affected and unaffected by the surface, respectively. The changes in the resonance frequency, the relaxation time, and the static permittivity due to the surface tension are taken into account, and the Gaussian and Lorentzian shapes of homogeneously broadened lines are considered. The inhomogeneous broadening of the spectral lines is examined for several types of nanoparticle size distributions. It is demonstrated that the splitting of the initial lines in the spectra of bulk systems into pairs of lines with a decrease in the particle size is a specific feature of the spectra of nanoparticles. The intensities and half-widths of the lines are investigated as functions of the parameters of the size distribution of nanoparticles. The results of theoretical calculations are compared with recent experimental data on the ¹⁷O and ²⁵Mg NMR spectra of nanocrystalline MgO. The theoretical dependences of the intensity, the resonance frequency, and the half-width of the spectral lines are in good agreement with the experimental data. The proposed theory offers a satisfactory explanation of the behavior of the static permittivity in BaTiO₃ ceramic materials with nanometer-sized grains.     

Consequences of weak absorption in light heavy-ion reactions: Molecular resonances and nuclear rainbows

In the elastic angular distributions of the systems composed of tightly bound α-nuclei, ¹²C+¹²C, ¹⁶O+¹⁶O and ¹⁶O+¹²C, the higher-order Airy minima are observed in the energy region between 5 and 10 MeV per nucleon. The obtained optical potentials are deeply attractive and with incomplete absorption. The same potentials successfully describe the lower-energy (molecular resonances) and the higher-energy (first Airy minimum) data.     

Numerical determination of the density profile of an inhomogeneous membrane: solution of the inverse vibration problem

Given one or more vibrational modes of a membrane, the free vibration equation can be applied to infer the mass surface density. This paper considers determining the surface density of an inhomogeneous membrane from digitized holographic projections (interferograms) of the modeshapes. Spatially discrete numerical models of the membrane surface are presented, which can be used to solve both forward and inverse vibration problems. The accuracy of the discrete models is examined for exactly solvable free vibration problems involving inhomogeneous membranes. For the solution of the inverse problem, error estimates are given for the mass surface density deduced from modeshape interferograms. The practicability of the method is investigated using simulated experimental data for membranes with composite and continuously inhomogeneous density profiles. Strategies are discussed for reducing errors in the reconstructed densities.     

Relaxor type perovskites: Primary candidates of nano-polar regions

Relaxor properties of 0.7Pb(Mg_1/3Nb_2/3)O₃-0.3PbTiO₃ (PMN-PT) and non-lead perovskite thin films have been analysed in terms of large frequency dispersion of dielectric response at low temperatures. A wide spectrum of dielectric relaxation was observed in the frequency-dependent response of the imaginary part of the dielectric permittivity. Transformation from normal ferroelectric to relaxor behaviour has been observed in the case of the Ca substituting the BaTiO₃ thin films. A number of techniques were exploited to investigate the wide spectrum of relaxation times in pulsed laser ablated thin films.ac anddc electric field induced complex dielectric properties of 0.7Pb(Mg_1/3Nb_2/3)O₃-0.3PbTiO₃ (PMN-PT) thin films were studied as function of frequencies at different temperatures. Nonlinear behaviour of dielectric susceptibility with respect to the amplitude of theac drive was observed at lower temperatures. The frequency dependence of transition temperatureT _m (temperature of the maximum of dielectric constant) was studied using the Vogel-Fulcher relation. Dedicated to Professor C N R Rao on his 70th birthday     

Stopping rule for variable selection using stepwise discriminant analysis

Summary In general, when characterizing samples, such as ceramic samples or other types of samples, for first time by means of chemical elements, the analyst measures a large number of variables, many of which may not be very informative. In fact, some may even be unrelated to the issue at hand and blur the picture instead of making it clearer. In subsequent studies the analyst may wish to measure fewer variables for several reasons, such as being very time consuming; in cases where measurement time is important, such as on-line monitoring; in order to reduce cost or effort; etc. Therefore, the hope is to determine those variables that are most relevant without losing essential information and to remove the less productive information. The problem is how to perform this in an objective way and to capture crucial information using a multivariate analysis. This paper aims to describe and illustrate a stopping rule for the identification of redundant variables, and the selection of variable subsets, preserving multivariate data structure using stepwise discriminant analysis, selecting those variables that are in some senses adequate for discrimination purposes. One illustrative example using data sets obtained via INAA of ceramic samples from two archaeological sites is provided.     

A microspectroscopic study of the electronic homogeneity of ordered and disordered Sr2FeMoO6

Disordered Sr₂FeMoO₆ shows a drastic reduction in saturation magnetization compared to highly ordered samples, moreover magnetization as a function of the temperature for different disordered samples shows qualitatively different behaviours. We investigate the origin of such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish that e_xtensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples, is responsible for the observed magnetic inhomogeneity. It is further pointed out that these inhomogeneities are connected with composition fluctuations of the type Sr₂Fe_1+x Mo_1-x O₆ with Fe-rich (x > 0) and Mo-rich (x < 0) regions. Dedicated to Prof J Gopalakrishnan on his 62nd birthday.     

Diffusion of 99Tc in granite under aerobic and anoxic conditions

Summary  Vezetéknév     

Statistical Analysis of the Effect of Mineral Admixtures on the Strength of the Interfacial Transition Zone

Microscopic evidence indicates that the thickness of the interfacial transition zone (ITZ) between the aggregate and the cement paste is modified when mineral admixtures partially replace portland cement. Unfortunately, there is limited information on the significance of these microscopic modifications to the mechanical properties of the ITZ. This research reports experimental results on the shear and tensile strength of the ITZ as affected by the addition of the following mineral admixtures: silica fume, fly ash, and natural pozzolan. Statistical analysis was used to identify the significant parameters affecting the tensile and shear strength of the ITZ. Experimental results indicate that not only does the incorporation of silica fume and fly ash increase the strength of the ITZ, these mineral admixtures have a greater influence on the strength increase of the ITZ than in the strength increase of the cement paste.     

Recyclization of Products Formed by Addition of 5-Hydrazino-2-phenyl-1,3-oxazoles Functionally Substituted in 4-Position to Aryl Isothiocyanates

Russian Journal of General Chemistry -