Search results for "equation"
showing 10 items of 4219 documents
Modeling of Point Defects in Corundum Crystals
1994
Several different approaches including Hartree-Fock ab initio cluster calculations, semiempirical INDO calculations, and atom-atom potentials were used for modeling of the spatial and electronic structure as well as migration mechanisms of both intrinsic defects (self-trapped and defect-trapped holes, O and Al vacancies) and impurities (transition-metal ions like Co, Fe, Mg, Mn, Ti). The atomic structure of all hole centers is found to be similar to V[sub K] centers in alkali halides (two-site model); their formation is energetically favorable. The energy required for 60[degree] hole reorientations inside the basic oxygen triangles is found to be similar to both the energy for hops between …
O2 Diffusion in Amorphous SiO2 Nanoparticles Probed by Outgassing
2012
An experimental study of the O2 diffusion process in nanoparticles of amorphous SiO2 in the temperature range from 98 to 157 °C was carried out by Raman and photoluminescence techniques. We studied O2 diffusion in high purity silica nanoparticles with a mean diameter of 14, 20, and 40 nm detecting the outgassing of molecules trapped during the manufacturing. The kinetics of diffusion is well described for all the investigated nanoparticles by the Fick’s equation proving its applicability to nanoscale systems. The diffusion coefficient features an Arrhenius law temperature dependence in the explored temperature range, and the diffusion coefficient values are in good agreement with extrapolat…
Temperature dependence of the rate constant of hydrogen isotope interactions with a lithium capillary-porous system under reactor irradiation
2013
Abstract Experiments with a sample of a lithium capillary-porous system (CPS) were performed at the reactor IVG-1.M of the Institute of Atomic Energy NNC RK to study the effects of neutron irradiation on the parameters of hydrogen isotope interactions with a lithium CPS. The absorption technique was used during the experiments, and this technique allowed the temperature dependences of the hydrogen isotope interaction rate constants with the lithium CPS to be obtained under various reactor powers. The obtained dependencies were used to determine the main interaction parameters: the activation energies and the pre-exponents of the Arrhenius dependence of the hydrogen interaction rate constant…
Competitive relaxation processes of oxygen deficient centers in silica
2003
Physical review / B 67, 033202 (2003). doi:10.1103/PhysRevB.67.033202
Effect of Zr4+Doping on the Electrical Properties of BaTiO3Ceramics
2011
The BaZrxTi1-xO3 for 0⩽x⩽15 ceramics were prepared by a conventional solid state reaction method and were determined by an X-ray diffraction (XRD) and scanning electron microscopy (SEM) for crystallographic, surface morphological and compositional studies. A single phase with perovskite structure was identified in the samples at room temperature. No significant impurities were detected in an EDS spectrum and the samples are in good stoichiometric ratio. The temperature dependence of electric conductivity was evaluated in the temperature range from 300 to 550 K for a selected frequency by a HP4284 LCR meter. The activation energy was calculated from the Arrhenius plots.
Solidification behavior of the theta system 2-propanol/poly(n-butyl methacrylate) I. Influences of thermoreversible gelation on stationary flow
1994
Zero shear viscosities, η0, were determined by means of a magnetoviscometer for melts of poly(n-butyl methacrylate) (M = 8.7 to 450 kg/mol, T =53.5 to 200°C) and for concentrated solutions of the highest molecular weight sample in isopropanol (T = 34.8 to 131.5 °C). Master curves can be constructed in both cases if the reference temperature is set proportional to the gelation temperature of the particular fluid. Special intersegmental interactions (eventually leading to thermoreversible gelation) can above all be felt in η0 (T) and in M c , the critical molecular weight determined in plots of log η0 vs. log M. As the temperature is lowered, the behavior changes from WLF to Arrhenius, and M …
Retention of Pb isotopes in glass surfaces for retrospective assessment of radon exposure
2006
Abstract In recent years there has been increasing interest in radio-epidemiological techniques to retrospectively measure the radon dose exposure by determining the activity of 210Pb, the longest-lived 222Rn progeny, in glass surface layers. In this study the diffusion of 39 keV 209Pb+ ions implanted into glass using the IGISOL facility has been studied under conditions that mimic the recoil implantation of 210Pb from 222Rn. The resulting depth distributions of 209Pb were then measured after heat treatment in vacuum at different temperatures by a sputter erosion technique. The diffusion coefficient could be described by an Arrhenius equation D = D0exp(−H/kT) where D 0 = 0.30 - 0.24 + 1.14 …
Mössbauer relaxation spectra in arbitrarily ordered absorbers—Line shape analysis for an iron(II) spincrossover complex in the presence of texture
1989
The stochastic theory of Mossbauer line shapes is formulated in a fashion which allows the evaluation of the spectral shapes for absorbers of arbitrary thickness, texture, and an anisotropic Lamb—Mossbauer factor. The results are specialized to a two-state-relaxation model of fluctuating electric hyperfine interaction in the case of an absorber of axially symmetric texture. The formalism is applied to the line shape analysis of Mossbauer spectra of a textured sample of the spin-crossover complex [Fe(mtz)6] (PF6)2 (mtz=1-methyltetrazole). It is found that between 185 and 240 K the rate constants for the HS→LS conversion are temperature independent, whereas an Arrhenius behaviour is found for…
Dynamics of spin state conversion processes in the solid state
1989
High spin (HS) ⇌ low spin (LS) conversions in transition metal complexes are nonradiative transitions between spin states. In this contribution, we present a study of the temperature and pressure dependence of the HS ⇌ LS intersystem crossing dynamics. For some iron(II) spin-crossover complexes, the rate constants were determined by line shape analysis of57Fe Mossbauer spectra. Their temperature dependence is described by an Arrhenius equation, their pressure dependence is interpreted within absolute rate theory. HS → LS conversion rates at low temperatures were determined from the relaxation of light-induced formation of HS states, monitored by optical spectroscopy. Deviations from a simpl…
Intersystem crossing in Fe(II) coordination compounds
1994
Fe(II) spin-crossover systems can be quantitatively converted from the low-spin (LS) to the high-spin (HS) state well below the thermal transition temperature by irradiating either into the metal-ligand charge transfer or d-d absorption bands, and even in low-spin systems a transient population of the HS state can be achieved. This fact can be made use of to determine HS → LS relaxation rate constants for a wide variety of Fe(II) spin-crossover and low-spin systems. The HS → LS relaxation shows strong deviations from an Arrhenius behaviour, with nearly temperature-independent tunnelling below ∼70 K and a thermally activated process above ∼100 K. The range of more than 12 orders of magnitude…