433 resultados para Transition matrix


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E.S.R. investigations of γ-irradiated ferroelectric Sodium ammonium selenate, NaNH4SeO4•2H2O and its deuteriated analogue in powder and single crystal forms have led to a deeper understanding of the nature of the ferroelectric transition of 180 K. A number of paramagnetic species formed due to γ-irradiation have been identified on the basis of their g-factors and hyperfine features from 77Se. The radical SeO4 has been used as a microprobe in studying the phase transition.

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A public key cryptosystem is proposed, which is based on the assumption that finding the square root of an element in a large finite ring is computationally infeasible in the absence of a knowledge of the ring structure. The encryption and decryption operations are very fast, and the data expansion is 1:2.

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1H NMR spin-lattice relaxation time (T1) studies have been carried out in the temperature range 100 K to 4 K, at two Larmor frequencies 11.4 and 23.3 MHz, in the mixed system of betaine phosphate and glycine phosphite (BPxGPI(1-x)), to study the effects of disorder on the proton group dynamics. Analysis of T1 data indicates the presence of a number of inequivalent methyl groups and a gradual transition from classical reorientations to quantum tunneling rotations. At lower temperatures, microstructural disorder in the local environments of the methyl groups, result in a distribution in the activation energy (Ea) and the torsional energy gap (E01). For certain values of x, the magnetisation recovery shows biexponential behaviour at lower temperatures.

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An investigation of the phase transitions at high pressures in the alums mentioned in the title has been carried out using EPR of the Cr3+ ion (at the trivalent metal ion site). It is observed that at ambient as well as at high pressures there is a change of slope in the linear variations of the zero field splitting with temperature and that the low temperature phase is characterised by a large number of lines in the EPR spectra. The transition temperature shows a large positive shift with pressure, for both the alums. All these facts are explained in terms of our model of the origin of the trigonal field at the trivalent metal ion site as well as the details of the motion of NH4+ ion.

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Photoemission spectra of YBa2Cu3O7-δ in the normal and superconducting states provide direct evidence for dimerization of oxygen below Tc. Cu2+ is found to reduce to Cu1+ concomitantly. These changes may be of vital importance to the mechanism of high-temperature superconductivity.

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XPS studies of the interaction of carbon monoxide with surfaces of Fe, Co and Ni indicate that at 300 K, the disproportionation reaction is prominent up to exposures of 103 L giving rise to high surface concentrations of carbon. At higher exposures and higher temperatures, dissociation of carbon monoxide accompanied by the formation of surface oxide layers becomes more prominent. In the case of copper, disproportionation is prominent up to 104 L even at 500 K followed by dissociation at higher exposures. These results are also supported by Auger spectroscopic studies.

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The effect of radiation on the Peierls transition in a one-dimensional metal is investigated. It is pointed out that an external radiation field satisfying appropriate frequency conditions reduces the width of the Peierls gap.

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X-ra!. K-absorption spectra of niobium in niobium dichalcogenides. namely NbS, and NbSe, and their first-row transition-metal intercalates Mi P 3N bSz (M = Cr. Mn. Fe. Co. Ni) and Ml#,NbSe2 (M = Fe. CO). have been measured together with those in niobium metal. The spectra of these materials are \er? similar to one another. They reflect the transitions to the partially filled niobium d band with some p character. A bariety of x-ray absorption nearedge structures (XASES) associated with the K edges of intercalated atoms are also presented and discussed.

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A strong-coupling expansion for the Green's functions, self-energies, and correlation functions of the Bose-Hubbard model is developed. We illustrate the general formalism, which includes all possible (normal-phase) inhomogeneous effects in the formalism, such as disorder or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator–to–superfluid transition along with a generalization of the random-phase-approximation-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions. The accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott-phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling-theory results are benchmarked against numerically exact quantum Monte Carlo simulations in two and three dimensions and against density-matrix renormalization-group calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.

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A numerical study on columnar-to-equiaxed transition (CET) during directional solidification of binary alloys is presented using a macroscopic solidification model. The position of CET is predicted numerically using a critical cooling rate criterion reported in literature. The macroscopic solidification model takes into account movement of solid phase due to buoyancy, and drag effect on the moving solid phase because of fluid motion. The model is applied to simulate the solidification process for binary alloys (Sn-Pb) and to estimate solidification parameters such as position of the liquidus, velocity of the liquidus isotherm, temperature gradient ahead of the liquidus, and cooling rate at the liquidus. Solidification phenomena under two cooling configurations are studied: one without melt convection and the other involvin thermosolutal convection. The numerically predicted positions of CET compare well with those of experiments reported in literature. Melt convection results in higher cooling rate, higher liquidus isotherm velocities, and stimulation of occurrence of CET in comparison to the nonconvecting case. The movement of solid phase aids further the process of CET. With a fixed solid phase, the occurrence of CET based on the same critical cooling rate is delayed and it occurs at a greater distance from the chill.

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An attempt has been made at synthesis and in resolving some of the uncertainties related to the assignments of charge-transfer satellites in the X-ray photoelectron spectra of transition-metal and rare-earth compounds. New satellites are reported in the ligand core-hole spectra as well as in the metal core-level spectra of oxides of second- and third-row transition metals including rare earths. Satellites in the ligand levels and the metal levels tend to be mutually exclusive, a behaviour that can be understood on the basis of metal-ligand overlap. Systematics in the intensities and energy separations of satellites in the first-row transition-metal compounds have been examined in order to gain an insight into the nature of these satellites. A simple model involving the sudden approximation has been employed to explain the observed systematics in intensities of satellites appearing next to metal and ligand core levels on the basis of metal-ligand overlap.

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Vacuum pyrolysis of ammonium perchlorate (AP) and ammonium perchlorate/polystyrene (PS) propellant has been studied by differential thermal analysis (DTA) in order to observe the effect of transition metal oxides on sublimation. Sublimation and decomposition being competitive processes, their proportions depend on the pressure of the pyrolysis chamber. The enthalpies for complete decomposition and complete sublimation are available from the literature and by using these data together with DTA area measurements, the extents of sublimation and decomposition have been calculated for AP and the propellant system. The effect of the metal ions on the extent and rate of sublimation depends on their nature. For AP the extent of sublimation increases with a decrease in particle size. For the propellants the powder sublimes more readily than the bulk material, but in the presence of metal ions the bulk material sublimes more readily than the powder. To substantiate this finding, the effect of MnO2 on AP sublimation as a function of particle size was examined, and it was observed that the extent of sublimation decreases as the particle size decreases.

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1H NMR at high hydrostatic pressures and compressibility studies show that the protonic conductor (NH4)4Fe(CN)6·1.5H2O undergoes a phase transition around 0.45 GPa. The transition is characterized by a large hysteresis. From the NMR studies, an activation volume of 6% is obtained below the phase transition, indicating the dominance of Frenkel defects.

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The influence of MnO2, CuO, and NiO on the thermal decomposition and explosivity of arylammonium perchlorates has been studied by differential thermal analysis (DTA) and explosive sensitivity measurements. The metal oxides considerably sensitize both decomposition and explosion and the sensitizing effect is in the order NiO < CuO < MnO2. The accelerated decomposition or explosion seems to occur via the formation of an intermediate, metal perchlorate arylamine complex. The experimental evidence for the mechanism put forward has been included.