Electronic-structures of h2o.bf3 and related n-v addition-compounds - a combined eels-ups study in vapor-phase

The detailed electronic structure of the n-v addition compound H2O·BF3 has been investigated for the first time by a combined use of electron energy loss spectroscopy (EELS) and UV photoelectron spectroscopy (UPS) augmented by MO calculations. The calculated molecular orbital energies of H2O·BF3 agree well with the UPS results and have been used to assign the electronic transitions obtained from EELS and to construct an orbital correlation diagram. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

EPR observation of phase transitions in calcium cadmium acetate hexahydrate: Using Mn2+ and Cu2+ ions as probe

Results of temperature dependence of EPR spectra of Mn2+ and Cu2+ ions doped calcium cadmium acetate hexahydrate (CaCd(CH3COO)4•6H2O) have been reported. The investigation has been carried out in the temperature range between room temperature ( 300 K) and liquid nitrogen temperature. A I-order phase transition at 146 ± 0.5 K has been confirmed. In addition a new II-order phase transition at 128 ± 1 K has been detected for the first time. There is evidence of large amplitude hindered rotations of CH3 groups which become frozen at 128 K. The incorporation of Cu2+ and Mn2+ probes at Ca2+ and Cd2+ sites respectively provide evidence that the phase transitions are caused by the molecular rearrangements of the common coordinating acetate groups between Ca2+ and Cd2+ sites. In contradiction to the previous reports of a change of symmetry from tetragonal to orthorhombic below 140 K, the symmetry of the host is concluded to remain tetragonal in all the three observed phases between room temperature and liquid nitrogen temperature.

Simple new PWM patterns for thyristor three-phase AC/DC convertors

Thyristor forced commutated AC/DC convertors are useful for improving the power factor and waveform of AC-side line current. These are controlled through pulse-width modulation schemes for best performance. However, the 3-phase versions impose restrictions on the PWM strategies that can be implemented for excellent harmonic rejection. This paper presents new PWM control strategies for the 3-phase converters and compares them along with the conventional 4-pulse PWM strategy for harmonic elimination. Finally, two new PWM strategies are shown to be the best, for which oscillograms are presented from actual implementation.

Low-temperature and high-pressure Raman and x-ray studies of pyrochlore Tb2Ti2O7: Phonon anomalies and possible phase transition

We have carried out temperature- and pressure-dependent Raman and x-ray measurements on single crystals of Tb2Ti2O7. We attribute the observed anomalous temperature dependence of phonons to phonon-phonon anharmonic interactions. The quasiharmonic and anharmonic contributions to the temperature-dependent changes in phonon frequencies are estimated quantitatively using mode Grüneisen parameters derived from pressure-dependent Raman experiments and bulk modulus from high-pressure x-ray measurements. Further, our Raman and x-ray data suggest a subtle structural deformation of the pyrochlore lattice at ~9 GPa. We discuss possible implications of our results on the spin-liquid behavior of Tb2Ti2O7.

Structure of the noncubic phase in the ferroelectric state of Pr-substituted SrTiO3

Sr1−xPrxTiO3 has recently been shown to exhibit ferroelectricity at room temperature. In this paper powder x-ray and neutron-diffraction patterns of this system at room temperature have been analyzed to show that the system exhibits cubic (Pm-3m) structure for x<=0.05 and tetragonal (I4/mcm) for x>0.05. The redundancy of the noncentrosymmetric structural model (I4cm) in the ferroelectric state suggests the absence of long-range ordered ferroelectric domains and supports the relaxor ferroelectric model for this system.

Stress-induced martensitic phase transformation in Cu-Zr nanowires

A novel stress-induced martensitic phase transformation in an initial < 100 >/{100} B2-CuZr nanowire is reported for the first time in this letter. Such behavior is observed in a nanowire with cross-sectional dimensions of 19.44 x 19.44 angstrom(2) over a temperature range of 100-400 K and at a strain rate of 1 x 10(9) s(-1) using atomistic simulations. Phase transformation from an initial B2 phase to a BCT (Body-Centered-Tetragonal) phase is observed via nucleation and propagation of {100} twinning plane under high strain rate tensile deformation. (C) 2009 Elsevier B.V. All rights reserved.

Role of Melt Convection on the Thermal Performance of Heat Sinks with Phase Change Material

The role of melt convection oil the performance of beat sinks with Phase Change Material (PCM) is presented in this paper. The beat sink consists of aluminum plate fins embedded in PCM and heat flux is supplied from the bottom. The design of such a heat sink requires optimization with respect to its geometrical parameters. The objective of the optimization is to maximize the heat sink operation time for the prescribed heat flux and the critical chip temperature. The parameters considered for optimization are fin number and fill thickness. The height and base plate thickness of heat sink are kept constant in the present analysis. An enthalpy based CFD model is developed, which is capable Of Simulating phase change and associated melt convection. The CFD model is Coupled with Genetic Algorithm (GA) for carrying out the optimization. Two cases are considered, one without melt convection (conduction regime) and the other with convection. It is found that the geometrical optimizations of heat sinks are different for the two cases, indicating the importance of inch convection in the design of heat sinks with PCMs.

A New Three-Phase Current Source Inverter with Flexible PWM Capability

A new three-phase current source inverter topology is presented, consisting of three single-phase bridge inverters connected in series and feeding the isolated windings of a standard three-phase induction motor. Because a current zero in one phase now does not affect the others, it enables the implementation of a wide range of current PWM patterns for the reduction and selective elimination of torque pulsations. Furthermore, this system allows for very fast control of the fundamental load current through the use of sinusoidal PWM, a method that was not possible to implement on existing inverter topologies.

ESR Studies of Phase Transitions in Double Propionates: Dicalcium Barium Propionate Ca2Ba(C2H5COO)6

Single crystal [(111) and (100) planes], and powder ESR of Mn2+ (substituting for Ca2+) in Ca2Ba(C2H5COO)6 in the temperature range 220°C to -160°C shows (i) a doubling of both the physically and chemically inequivalent sites, and a change in the magnitude (150 G at -6°C to 170 G at -8°C) as well as the orientation of the D tensor across the -6°C transition and (ii) an inflection point in the D vs T plot across the -75°C transition. The oxygen octahedra around the Ca2+ sites are inferred to undergo alternate rotations, showing the participation of the carboxyl oxygens in the -6°C transition. A relation of the type D=D0(1+αT+βT2) seems to fit the D variation satisfactorily.

Evolution of crystallographic texture and microstructure in the orthorhombic phase of a two-phase alloy Ti-22Al-25Nb

Evolution of crystallographic texture in the orthorhombic phase of a two-phase alloy Ti–22Al–25Nb (at%), consisting of orthorhombic (O) and bcc (β/B2) phases, was studied. The material was subjected to deformation in two-phase field as well as in the single β phase field. The resulting evolution of microstructure and crystallographic texture were recorded using scanning electron microscopy and X-ray diffraction. The orthorhombic phase underwent change in morphology (from platelets to equiaxed) on rolling in the two-phase field with the texture getting sharper with the amount of deformation. Rolling above β transus temperature led to hot deformation of single β phase microstructure and its subsequent cooling produced transformed coarse platelets of orthorhombic phase with texture in orientation relation with the high temperature deformed β phase.

Phase transition in ammonium aluminium and ammonium chromium alums-A high pressure EPR study

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.

Use of 45° pulse pair as a filter for pure-phase two-dimensional NMR spectroscopy

Conventionally two-dimensional NMR spectra are recorded in the absolute-intensity mode (1-4). It has recently been demonstrated that absorption-mode 2D spectra have much higher resolution and are the preferred mode of presentation, especially for 2D spectra of biomolecules (5-7). Indeed, any experimental scheme which yields phasemixed lineshapes is subject to modification to yield pure-phase spectra, even at the expense of intensity and anomalous multiplet structure (8-10). For this purpose two types of filters are already known: the z filter (9, 20) and the purging pulse (8, 10). In this note, we propose a 45” pulse pair as a filter for obtaining pure-phase 2D spectra, mainly for experiments in which the above filters do not yield pure-phase spectra.

Bull sperm plasma and acrosomal membranes: Fluorescence studies of lipid phase fluidity

Bull sperm plasma and outer acrosomal membranes have been isolated by discontinuous sucrose density gradient centrifugation and Ca2+-ATPase activity has been determined for both the membranes. Pyrene excimer fluorescence and diphenylhexatriene fluorescence polarization studies show that the lipid phase of the sperm plasma membranes is more fluid than the lipids of the outer acrosomal membranes. Approximately, a three fold increase in the cholesterol content has been found in the outer acrosomal membranes as compared to that in the plasma membranes.