A natural sample of perovskite (calcium caesium sodium iron titanium oxide) from the Tapira Alkaline Complex in southeastern Brazil was found by electron microprobe analysis to have the chemical formula (Ca(2+) (0.95 (1))Ce(3+) (0.011 (2))Na(+) (0.010 (4)))(Fe(3+) (0.022 (2))Ti(4+) (0.98 (1)))O(2-) (3) and by IR spectroscopy to be an anhydrous mineral. Oxygen anions are arranged around Ti(4+) i...

This work investigates the luminescent properties and structure of Zn2SiO4:Ti thin-film phosphor, before and after annealing up to 1000C. The Zn2SiO4:Ti films are fabricated by RF sputtering using ceramic target. After annealing at 800C the β-Zn2SiO4 phase is formed, but this phase is not suitable for the application in electroluminescence. The willemite structure (α-Zn2SiO4) is formed after an...

The X-ray absorption near-edge structures (XANES) at the Ti K-edge of Pb1-xLaxTiO3 ferroelectric ceramic compounds are analyzed as a function of the sample composition. The calculated XANES spectra using the FEFF8.2 code are compared with experimental data. Experimental results show that the local distortion around Ti atoms has different composition dependence as compared to the crystallographi...

Nmi multilayers are used as supermirrors for neutron guides. These multilayers are submitted to neutron irradiation. In order to determine the effect of irradiation on supermirrors performances we studied Ni/'Ti multilayers irradiated with thermal neutrons. We present here the results obtained by neutron reflectivity, X-ray diffraction and EXAFS on one sample. It has been found that the supermi...

The relative free energies of binding of trypsin to two amine inhibitors, benzamidine (BZD) and benzylamine (BZA), were calculated using non-Boltzmann thermodynamic integration (NBTI). Comparison of the simulations with the crystal structures of both complexes, trypsin-BZD and trypsin-BZA, shows that NBTI simulations better sample conformational space relative to thermodynamic integration (TI) ...

Nowadays, titanium-based alloys are among the most attractive metallic materials for biomedical applications (as implants) due to their non-biodegradability, low density, good mechanical properties as well as their good biocompatibility. Hydroxyapatite (Ca10 (PO4)6(OH)2, HA) has been widely used for biomedical applications due to its bioactive, biocompatible and osteoconductive properties. Firs...

BACKGROUND A variety of studies have demonstrated posttraumatic stress disorder (PTSD) symptoms in victims of bullying. Because bullying with only relational aggression, such as social exclusion, does not involve physical aggression that could explain PTSD symptoms, it remains unclear why these relational aggression situations are also linked to PTSD symptoms. OBJECTIVE The aim of the present...

I. Szurman, R. Kocich, M. Kursa, VŠB – Technical University of Ostrava, Faculty of Metallurgy and Material Engineering, Ostrava – Poruba, Czech Republic The presented work is focused on the determination of elastic constants of selected alloys of the systems Ni-Ti and Ni-Ti-Cu with use of ultrasonic methods. Sample preparation was carried out using VIM in graphite crucible in combination with p...

It is well-known, both theoretically and experimentally, that alloying MgH(2) with transition elements can significantly improve the thermodynamic and kinetic properties for H(2) desorption, as well as the H(2) intake by Mg bulk. Here, we present a density functional theory investigation of hydrogen dissociation and surface diffusion over a Ni-doped surface and compare the findings to previousl...