Field induced domain switching as the origin of anomalous lattice strain along non-polar direction in rhombohedral BiScO3-PbTiO3 close to the morphotropic phase boundary

The lattice strain and domain switching behavior of xBiScO(3)-(1-x) PbTiO3 (x = 0.40) was investigated as a function of cyclic field and grain orientation by in situ X-ray diffraction during application of electric fields. The electric field induced 200 lattice strain was measured to be five times larger than the 111 lattice strain in pseudorhombohedral xBiScO(3)-(1-x) PbTiO3 (x = 0.40). It is shown that the anomalous 200 lattice strain is not an intrinsic phenomenon, but arises primarily due to stress associated with the reorientation of the 111 domains in dense polycrystalline ceramic. (C) 2015 AIP Publishing LLC.

Probing Ultrafast Photoinduced Electron Transfer to TiO2 from CdS Nanocrystals of Varying Crystallographic Phase Content

The photoinduced electron transfer processes in a nanoheterostructured semiconductor assembly are complex and depend on various parameters Of the constituents of the assembly. We present here the ultrafast electron transfer characteristics of an assembly comprised of a Wide band semiconductor, titanium dioxide (TiO2), attached to light-harvesting cadmium sulfide (CdS) nanotrystals of varying crystallographic phase content. Quantitative analysis of Synchrotron high-resolution X-ray. diffraction data of CdS nanocrystals precisely reveals the presence of both wurtzite and zinc blende phases in varying amounts. The,estimated content of crystal phases is observed to be strongly dependent on an important synthesis parameter, viz., the ratio of the two solvents. The biphasit nature of CdS influences directly the shape of the nanocrystal at long reaction times as well as the transfer of the photoexcited electrons from the CdS to TiO2 as obtained from transient absorption spectroscopy. A higher amount of zinc blende Phase is observed to be beneficial for fast electron transfer across the CdS-TiO2 interface. The electron transfer rate constant differs by one order of magnitude between the CdS nanocryStals and varies linearly with the fraction of the phases.

Active Power Decoupling with Reduced Converter Stress for Single-Phase Power Conversion and Interfacing

Single-phase DC/AC power electronic converters suffer from pulsating power at double the line frequency. The commonest practice to handle the issue is to provide a huge electrolytic capacitor for smoothening out the ripple. But, the electrolytic capacitors having short end of lifetimes limit the overall lifetime of the converter. Another way of handling the ripple power is by active power decoupling (APD) using the storage devices and a set of semiconductor switches. Here, a novel topology has been proposed implementing APD. The topology claims the benefit of 1) reduced stress on converter switches 2) using smaller capacitance value thus alleviating use of electrolytic capacitor in turn improving the lifetime of the converter. The circuit consists of a third leg, a storage capacitor and a storage inductor. The analysis and the simulation results are shown to prove the effectiveness of the topology.

Thermal test method for high power three-phase grid-connected inverters

Semiconductor device junction temperatures are maintained within datasheet specified limits to avoid failure in power converters. Burn-in tests are used to ensure this. In inverters, thermal time constants can be large and burn-in tests are required to be performed over long durations of time. At higher power levels, besides increased production cost, the testing requires sources and loads that can handle high power. In this study, a novel method to test a high power three-phase grid-connected inverter is proposed. The method eliminates the need for high power sources and loads. Only energy corresponding to the losses is consumed. The test is done by circulating rated current within the three legs of the inverter. All the phase legs being loaded, the method can be used to test the inverter in both cases of a common or independent cooling arrangement for the inverter phase legs. Further, the method can be used with different inverter configurations - three- or four-wire and for different pulse width modulation (PWM) techniques. The method has been experimentally validated on a 24 kVA inverter for a four-wire configuration that uses sine-triangle PWM and a three-wire configuration that uses conventional space vector PWM.

Phase-field elasticity model based on mechanical jump conditions

Computational models based on the phase-field method typically operate on a mesoscopic length scale and resolve structural changes of the material and furthermore provide valuable information about microstructure and mechanical property relations. An accurate calculation of the stresses and mechanical energy at the transition region is therefore indispensable. We derive a quantitative phase-field elasticity model based on force balance and Hadamard jump conditions at the interface. Comparing the simulated stress profiles calculated with Voigt/Taylor (Annalen der Physik 274(12):573, 1889), Reuss/Sachs (Z Angew Math Mech 9:49, 1929) and the proposed model with the theoretically predicted stress fields in a plate with a round inclusion under hydrostatic tension, we show the quantitative characteristics of the model. In order to validate the elastic contribution to the driving force for phase transition, we demonstrate the absence of excess energy, calculated by Durga et al. (Model Simul Mater Sci Eng 21(5):055018, 2013), in a one-dimensional equilibrium condition of serial and parallel material chains. To validate the driving force for systems with curved transition regions, we relate simulations to the Gibbs-Thompson equilibrium condition

The effect of structural dimensionality on the electrocatalytic properties of the nickel selenide phase

Nickel selenide (NiSe) nanostructures possessing different morphologies of wires, spheres and hexagons are synthesized by varying the selenium precursors, selenourea, selenium dioxide (SeO2) and potassium selenocyanate (KSeCN), respectively, and are characterized using X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, transmission electron microscopy and scanning electron microscopy techniques. Electrical measurements of a single nanowire and a hexagon carried out on devices fabricated by the focused ion beam (FIB) technique depict the semiconducting nature of NiSe and its ability to act as a visible light photodetector. The three different morphologies are used as catalysts for hydrogen evolution (HER), oxygen reduction (ORR) and glucose oxidation reactions. The wire morphology is found to be better than that of spheres and hexagons for all the reactions. Among the reactions studied, NiSe is found to be good for HER and glucose oxidation while ORR seems to terminate at the peroxide stage.

A method for coupling the phase-field model based on a grand-potential formalism to thermodynamic databases

In this paper we derive an approach for the effective utilization of thermodynamic data in phase-field simulations. While the most widely used methodology for multi-component alloys is following the work by Eiken et al. (2006), wherein, an extrapolative scheme is utilized in conjunction with the TQ interface for deriving the driving force for phase transformation, a corresponding simplistic method based on the formulation of a parabolic free-energy model incorporating all the thermodynamics has been laid out for binary alloys in the work by Folch and Plapp (2005). In the following, we extend this latter approach for multi-component alloys in the framework of the grand-potential formalism. The coupling is applied for the case of the binary eutectic solidification in the Cr-Ni alloy and two-phase solidification in the ternary eutectic alloy (Al-Cr-Ni). A thermodynamic justification entails the basis of the formulation and places it in context of the bigger picture of Integrated Computational Materials Engineering. (C) 2015 Elsevier Ltd. All rights reserved.

The X-ray photoelectron spectroscopy and high-temperature structural studies of Zn1-xNixO/NiO two-phase composites

Detailed investigation of the chemical states and local atomic environment of Ni and Zn in the two-phase composites of Zn1-xNixO/NiO was reported. The X-ray photoelectron spectra of both Ni-2p and Zn-2p revealed the existence of a doublet with spin-orbit splitting approximate to 17.9 and 23.2eV, respectively confirming the divalent oxidation state of both Ni and Zn. However, the samples fabricated under oxygen-rich conditions exhibit significant difference in the binding energy approximate to 18.75eV between the 2p3/2 and 2p1/2 states of Ni. The shift in the satellite peaks of Ni-2p with increasing the Ni composition x within the Zn1-xNixO/NiO matrix signifies the attenuation of nonlocal screening because of reduced site occupancy of two adjacent Zn ions. The temperature dependence of X-ray diffraction analysis reveals a large distortion in the axial-rhombohedral angle for oxygen-rich NiO. Conversely, no significant distortion was noticed in the NiO system present as a secondary phase within Zn1-xNixO. Nevertheless, the unit-cell volume of both wurtzite h.c.p. Zn1-xNixO and f.c.c. NiO exhibits an anomalous behavior between 150 and 300 degrees C. The origin of such unusual change in the unit-cell volume was discussed in terms of oxygen stoichiometry.

Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative

A hitherto unseen rotation of the isopropyl group in the solid state, predicted to be forbidden based on theoretical investigations, is reported. This C-C rotation observed during the temperature dependent single-crystal-to-single-crystal transformation is attributed to the concomitant changes in molecular structure and intermolecular packing.

Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties

Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25 degrees having an average inter-molecular separation of similar to 5 angstrom. Interestingly, we find an overall tilt angle of 43 degrees between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column. (C) 2015 AIP Publishing LLC.

A controller design method for 3 phase 4 wire grid connected VSI with LCL filter

Closed loop control of a grid connected VSI requires line current control and dc bus voltage control. The closed loop system comprising PR current controller and grid connected VSI with LCL filter is a higher order system. Closed loop control gain expressions are therefore difficult to obtain directly for such systems. In this work a simplified approach has been adopted to find current and voltage controller gain expressions for a 3 phase 4 wire grid connected VSI with LCL filter. The closed loop system considered here utilises PR current controller in natural reference frame and PI controller for dc bus voltage control. Asymptotic frequency response plot and gain bandwidth requirements of the system have been used for current control and voltage controller design. A simplified lower order model, derived for closed loop current control, is used for the dc bus voltage controller design. The adopted design method has been verified through experiments by comparison of the time domain response.

Two-Phase Flow With Phase Change in Porous Channels

Phase change heat transfer in porous media finds applications in various geological flows and modern heat pipes. We present a study to show the effect of phase change on heat transfer in a porous channel. We show that the ratio of Jakob numbers based on wall superheat and inlet fluid subcooling governs the liquid-vapor interface location in the porous channel and below a critical value of the ratio, the liquid penetrates all the way to the extent of the channel in the flow direction. In such cases, the Nusselt number is higher due to the proximity of the liquid-vapor interface to the heat loads. For higher heat loads or lower subcooling of the liquid, the liquid-vapor interface is pushed toward the inlet, and heat transfer occurs through a wider vapor region thus resulting in a lower Nusselt number. This study is relevant in the designing of efficient two-phase heat exchangers such as capillary suction based heat pipes where a prior estimation of the interface location for the maximum heat load is required to ensure that the liquid-vapor interface is always inside the porous block for its operation.

Phase Inversion of Agitated Liquid-Liquid Dispersions in the Presence of Micrometer-Sized Particles

We have investigated the impact of partially wetting particles of tens of micrometers on inversion instability of agitated liquid liquid dispersions. Particles of this size can be easily separated from the exit streams to avoid downstream processing-related issues. The results show that the presence of hydrophilic particles in small quantities (volume fraction range of 2 X 10(-4) to 1.25 x 10(-2)) significantly decreases the dispersed phase fraction at which water-in-oil (w/o) dispersions invert but leaves the inversion of oil-in-water (o/w) dispersions nearly unaffected. The addition of the same particles after they are hydrophobized decreases the dispersed phase fraction at which o/w dispersions invert but leaves the inversion of w/o dispersions unaffected. These findings suggest an increased rate of coalescence of drops when particles wet drops preferentially and a marginal decrease when they wet the continuous phase preferentially. High-speed conductivity measurements on w/o dispersion show transient conduction of a few hundred milliseconds duration through voltage pulses. Close to the inversion point, voltage pulses appear at high frequency for even 7 cm separation between the electrodes. The presence of hydrophilic particles produces a nearly identical signal at a significantly lower dispersed phase fraction itself, close to the new lowered inversion point in the presence of particles. We propose formation of elongated domains of the conducting dispersed phase through a rapid coalescence-deformation-breakup process to explain the new observations. The voltage signal appears as a forerunner of inversion instability.

Active Power Decoupling with Reduced Converter Stress for Single-Phase Power Conversion and Interfacing

Single-phase DC/AC power electronic converters suffer from pulsating power at double the line frequency. The commonest practice to handle the issue is to provide a huge electrolytic capacitor for smoothening out the ripple. But, the electrolytic capacitors having short end of lifetimes limit the overall lifetime of the converter. Another way of handling the ripple power is by active power decoupling (APD) using the storage devices and a set of semiconductor switches. Here, a novel topology has been proposed implementing APD. The topology claims the benefit of 1) reduced stress on converter switches 2) using smaller capacitance value thus alleviating use of electrolytic capacitor in turn improving the lifetime of the converter. The circuit consists of a third leg, a storage capacitor and a storage inductor. The analysis and the simulation results are shown to prove the effectiveness of the topology.

Stabilization of the high-temperature and high-pressure cubic phase of ZnO by temperature-controlled milling

The reversible transition of wurtzite to rock salt phase under pressure is well reported in literature. The cubic phase is unstable under ambient conditions both in the bulk and in nanoparticles. This paper reports defect-induced stabilization of cubic ZnO phase in sub 20 nm ZnO particles and explores their optical properties. The size reduction was achieved by ball milling in a specially designed mill which allows a control of the milling temperature. The process of synthesis involved both variation of milling temperature (including low temperature similar to 150 K) and impact pressure. We show that these have profound influence in the introduction of defects and stabilization of the cubic phase. A molecular dynamics simulation is presented to explain the observed results. The measured optical properties have further supported the observations of defect-induced stabilization of cubic ZnO and reduction in particle size.