Defect and Diffusion Forum Vols. 280-281

Abstract: ZnO-BaO particles (4-10) nm have been synthesized by applying 40 KHz ultrasonic wave simultaneously with the co-precipitation process of Zn and Ba oxalate at 50 0C. DTA curves of the co-precipitate were carried out and the decomposition temperature was determined. Mixed oxide obtained from thermal decomposition of Zn2 Ba (C2O4)2.2H2O in air has been investigated by TEM, XRD, IR and UV-Vis measurements. The results revealed that the obtained particle consists of a core of highly deformed Ba contaminated ZnO nano-crystals. The ZnO crystalline core is coated by Ba rich amorphous layer which prevents its growth. Decreasing concentration of ZnCl2 in the precipitation solution from 0.1M to .05 M leads to decrease the size of the particle from (10-20) nm to(4-10) nm, in average, increases UV cut-off, the cut-off tail and rounded of the shape of the particle.

Abstract: Thermally stimulated solid state reactions in the Ni(10 nm)/Si(001) film system that occur under the annealing in the nitrogen ambient were researched by methods of сross-sectional transmission electron microscopy and scanning electron microscope. It was established that NiSi2 formation consists of several steps: a formation of the NiSi polycrystalline silicide thickness of which twice higher initial thickness of Ni layer; prevailed diffusion of Ni atoms out of NiSi into Si substrate according with lattice mechanism and appearing of exceeding vacancies at grain boundaries; a formation of epitaxial NiSi2 nuclei at separate spots of NiSi/Si(001) interface; regular growth of NiSi2 phase inclusions at the expense of NiSi layer “diffusion dissolution”; a formation of NiSi2 spherical inclusions in the lattice of Si matrix and their coalescence.

Abstract: The EPR g factors g// and g and the hyperfine structure constants for one substitutional Cu2+ center in CdS are theoretically investigated from the perturbation formulas of these parameters for a 3d9 ion under trigonally distorted tetrahedra. In view of the significant covalency of the [CuS4]6 cluster, the ligand contributions are taken into account on the basis of the cluster approach. According to the calculations, the impurity Cu2+ is found not to occupy exactly the ideal Cd2+ site but to suffer a small inward displacement 0.12 Å toward the ligand triangle along C3 axis. The theoretical results by considering the above impurity displacement show reasonable agreement with the experimental data. The defect structure of this Cu2+ center is also discussed.

Abstract: The mechanism of slow positron annihilation in ion-implanted Si has been discussed in terms of the Diffusion-Trapping model (DTM). The trapping of positron has been considered in native vacancies (monovacancies) and ion induced vacancies i.e. vacancy clusters. The model has been used to calculate the Doppler broadening line shape parameter (S-parameter) as a function of incident positron energy for different ion-implanted Si. It has been found that at lower energies the monovacancies and vacancy clusters both contribute to the S-parameter while, with the increase in positron energy the vacancy clusters are reduced. The S-parameter is found to be dependent on the fluency of the implanted ions.

Abstract: Within the framework of the lattice-statics and static fluctuation-waves’ methods, the available energiesof strain-induced interaction of interstitial–interstitial, interstitial–substitutional and substitutional–substitutional impurity atomic pairs are collected and analysed for f.c.c.-(Ni,Fe)–C solutionsallowing for discrete atomic structure of the host-crystal lattice. The lattice spacings, elasticity moduliand/or quasi-elastic force parameters of the host-crystal lattice, and concentration coefficients of thedilatation of solid-solution lattice due to the respective solutes are selected as the input numerical experimentaldata used. The above-mentioned interaction energies prove to have non-monotonically decreasing(‘quasi-oscillating’) and anisotropic dependences on discrete interatomic radius-vector, andthemselves are strong and long-range. In all f.c.c.-(Ni,Fe)-base solutions, there is strain-induced attractionin many co-ordination shells. In general, the strain-induced interaction between impurity atomsin γ-Fe is weaker than in α-Ni (but in some solid solutions, it may prove to be of the same order).The verification of applicability of the approximation of strain-induced interaction of impurities forf.c.c.-(Ni,Fe)–C alloys (by means of analysis of thermodynamic C activity and ‘short-range order’ parametersof C-atoms’ distribution revealed by Mössbauer spectroscopy) showed that it must be supplementedwith additional short-range (‘electrochemical’) repulsion in the first co-ordination shell.Nevertheless, in any case, the strain-induced interaction of impurity atoms must be taken into accountfor analysis of structure and properties of f.c.c.-(Ni,Fe)-base solutions.

Abstract: Using pseudopotential approach, vacancy formation energy , different non-split interstitial formation energies and binding energy for the vacancy-impurity pair and that for interstitial impurity over host have been calculated in some cubic fcc metal systems, viz. copper, silver, gold and lead using Ashcroft's potential and Taylor's exchange and correlation function with standard (AT) and fitted to (ATF) and also Heine-Abarenkov’s model potential and same exchange and correlations (HAT). It is difficult to have a universal value for all types of atomic property calculations. The results show that ATF and HAT combinations are better in comparison to AT. Also, the substitutional impurity adjacent to a vacancy is found to be more loosely bound than the interstitial impurity in fcc metals.

Abstract: The paper investigates the mechanical properties of sintered hollow sphere struc- tures. First of all, the Young's modulus, plastic modulus, initial flow stress, initial flow strain, plateau stress and densifcation strain are derived from compressive tests. In addition, the material behaviour during the compressive testing is described. Furthermore, the influence of different specimen shapes on the results is discussed.

Abstract: Classically a master curve as Dorn's equation is applied for elucidating stationary creep behaviour within high temperature range (T > 0.6 Tm). As the diffusion of both 63Ni and 44Ti have been measured in an equiatomic NiTi, an effective choice of creep-relevant diffusion coefficient D may be possible. Moreover, creep measurements in the same temperature range performed can be found in the literature. The correlation does not permit to establish precisely what D coefficient to integrate in the Dorn's equation.

Abstract: This paper investigates the structural properties of sintered hollow sphere struc- tures. First of all, the packing density is analysed using three different methods: namely, liquid infiltration, Archimedes' principle, and image processing of micrographs. In addition, the pore fraction in the metallic sphere shells is characterised based on micrographs and the density of the structure and the base material is determined. In the final part, the geometrical characteristics of the sphere structure and the material composition of the base material are analysed.

Abstract: Recovery behavior of 20% plastically deformation of casting AlSi11.35Mg0.23 in various stages of isochronal annealing has been investigated by positron Lifetime (LT). The experimental results show that the positron mean lifetime is a function of annealing temperature. Lifetime of the positron annihilating in perfect lattice is 187.3ps and in 20% deformed is 229.8 ps. There are two regions in the isochronal annealing, one of them relating to the point defect and the other to the dislocation. The activation enthalpy for the dislocation is calculated from the isothermal study in the dislocation region from (575-675) K by slow and fast cooling as 0.16±0.02 and 0.53±0.06 eV respectively.