Recrystallization from a Three-Grain Crystalline Iron

The solid state recrystallization and grain boundary migrations in an iron nanoparticle Fe2616 with three grains were studied by a molecular dynamics simulation. It was found that nucleation rates could be determined as the smaller grains were consumed by the larger ones. Moreover, the grain disorder was more important than the misorientation angle in governing the rates. Suggestions about the critical nuclei for the recrystallization are proposed. No obvious interaction between the grain boundaries was observed in the example studied in this report.

High Pressure Study of Structural and Electronic Properties of PbSe

High pressure structural phase transition and electronic properties have been investigated using the linear combination of atomic orbitals (LCAO) method with two exchange-correlation approximations, the generalized gradient approximation (GGA) and local density approximation (LDA). The present study shows phase transitions from B1 to B27 and B27 to B2 at 6.24 GPa and 16.39 GPa, respectively. Lattice constant, bulk modulus, and energy gap of pressure-induced PbSe are found to be in good agreement with previous theoretical and experimental results. Variation of electronic band structure with pressure shows direct band gap along L point of the Brillouin zone.

Optical and FT Infrared Absorption Spectra of 3d Transition Metal Ions Doped in NaF-CaF2-B2O3 Glass and Effects of Gamma Irradiation

Combined optical and FTIR spectroscopy has been employed to investigate the undoped NaF-CaF2-B2O3 glass together with samples containing 0.2% dopant of 3d TM ions before and after gamma irradiation. The optical spectrum of the undoped glass reveals strong UV absorption with two peaks which are related to unavoidable trace iron impurity within the raw materials. Upon gamma irradiation, an induced visible broad band centered at 500 nm is resolved and is related to B-O hole center or nonbridging oxygen hole center. TMs-doped samples exhibit characteristic absorption due to each respective TM ion but with faint colors. Gamma irradiation of TMs-doped samples reveals the same induced visible band at 500–510 nm in most samples except CuO and Cr2O3-doped glasses. Infrared absorption spectra reveal characteristic vibrational bands due to triangular and tetrahedral borate groups. The introduction of NaF and CaF2 modifies the borate network forming BO3F tetrahedra. The introduction of 3d TMs as dopants did not make any obvious changes in the FTIR spectra due to their low content (0.2%). Gamma irradiation causes only minor variations in the intensities of the characteristic IR borate bands while the bands at about 1640 cm−1 and 3450 cm−1 reveal distinct growth in most samples.

Structural, Microhardness, Photoconductivity, and Dielectric Properties of Tris(thiourea) Cadmium Sulphate Single Crystals

Semiorganic nonlinear optical tris(thiourea) cadmium sulphate (TTCS) single crystals were grown by slow evaporation method. The crystal system, cell parameter of the grown crystal, was identified by powder X-ray diffraction study. The self-focusing Z-scan technique has been employed to observe the third-order nonlinear optical property of the grown crystal. The mechanical property of the grown crystal was examined by using Vicker’s microhardness test. Chemical etching studies were made on the TTCS crystal using water as an etchant. The dark current and photocurrent properties of the crystal were estimated by using photoconductivity study. The dielectric constant of grown crystal was studied in different temperature by varying applied frequencies.

Temperature Dependence of the Bragg Peak-Intensity Close to the α-Incommensurate-β Transition in Quartz

Quartz as a mineral has a stable crystalline phase at room temperature and atmospheric pressure; at low temperatures it is in the α phase and when it is heated up, it transforms into the β phase through the intermediate (incommensurate) phase within the temperature interval of nearly 1.3 K at around 847 K. The order parameter Q occurs due to a tilting of SiO4 tetrahedra around the threefold axis, which can be related to variation of the peak-intensity with the temperature in quartz. In this study, we analyze the temperature dependence of the Bragg peak-intensity measured through the α-β transition in quartz, as obtained from the literature according to a power-law formula. From our analysis, we deduce the values of the critical exponent β for the order parameter (Bragg peak-intensity) for the α-incommensurate (IC-)β transition. Our β values indicate that the β-IC phase transition is of a second order and that the IC-α phase transition is of a weak first order, as also reported in the literature.

Investigation of Structural Formation of Starting Composition 2245 in the Bi-Pb-Sr-Ca-Cu-O System Superconductors

Structural formation of Bi1.65Pb0.35Sr2Ca4Cu5Oy (2245 phase) superconducting compound was investigated by preparing the sample in a new matrix route. The phases formed at different intervals of heat treatment are monitored by X-ray diffraction studies. Bi-2212 phase was found to be the predominant phase till 20 hours of sintering at 850°C after which Bi-2223 phase was found to be the major phase. Traces of Ca2PbO4 were also noticed along with 2212 and 2223 phases. For the first time, the highest TC onset of 127 K with maximum superconducting volume fraction was observed for the sample sintered at 850°C for 30 hours in this preparation. Further sintering is found to deteriorate the TC onset value of the sample. There was no signature of the formation of 2234 or 2245 phase in this synthesis.

On a New Kinetic Modelling Approach of the Irreversible Quasi-Surface Metallurgical Phase Transformations

Irreversible quasi-surface metallurgical phase transformations are the specific response of some metallic materials—such as metals and alloys—subjected to high thermomechanical loads applied very near their surface during the manufacturing processes or after being put into operation. These solid/solid phase transformations can be observed, for example, on the tread of many rails in railroad networks frequented by freight trains. The severe thermal and mechanical loads imposed on the surface of the rails and in the immediate vicinity of the surface by the wheel/rail contact often result in highly localized irreversible metallurgical transformations. A new kinetic model based on a previous study is presented here, which accounts more realistically for the nucleation and growth of these irreversible solid/solid phase transformations resulting from high thermomechanical loads. This metallurgical behavioral model was developed in the framework of continuum thermodynamics with gradients of temperature and internal variables.

Preparation and Electrical Properties of Ba2TiOSi2−xGexO7 (x=0.0 and 0.2) Ferroelectric Ceramics

Polycrystalline ceramic samples of pure and germanium (Ge4+) doped fresnoite of general formula Ba2TiOSi2−xGexO7 (x=0.0 and 0.2) have been prepared by solid state reaction technique. The formation of the single phase compound was confirmed by X-ray diffraction and the structural parameters were refined by the Rietveld refinement technique. The dc conductivity of both the materials has been measured as a function of temperature from room temperature to 753 K and activation energy was calculated using the relation σ = σoexp(-Ea/kt). The activation energy 4.74 eV obtained for the pure compound is very high in comparison with 1.47 eV of Ge4+-substituted compound. The frequency and temperature dependent dielectric behavior of both the compounds have been studied. The real and imaginary parts of the dielectric constant increase with the increase of temperature.

Optical Measurement Techniques of Recombination Lifetime Based on the Free Carriers Absorption Effect

We review successful measurement techniques for the evaluation of the recombination properties in semiconductor materials based on the optically induced free carrier absorption. All the methodologies presented share the common feature of exploiting a laser beam to excite electron-hole pairs within the volume of the sample under investigation, while the probing methods can vary according to the different methodology analyzed. As recombination properties are of paramount importance in determining the properties of semiconductor devices (i.e, bipolar transistor gain, power devices switching features, and solar cells efficiency), their knowledge allows for better understanding of experimental results and robust TCAD simulator calibration. Being contactless and applicable without any particular preparation of the sample under investigation, they have been considered attractive to monitor these parameters inline or just after production of many different semiconductor devices.

Structural, Electrical, and Magnetic Study of SrNi2+(Li1+Fe3+)0.5Fe16O27 Ferrite

W-type ferrite having chemical formula SrNi(LiFe)0.5Fe16O27 was prepared by using conventional solid state reaction method at little low temperature (1100°C). The prolonged and continuous heating resulted in better product formation and it has validated that the Lithium present in the compound facilitates the synthesis. Typical IR bands observed are assigned to the Fe–O bonds in S block of W ferrite structure and the band near 914.3 cm−1 is assigned to the stretching vibrations of Sr–O. High resistivity is found which suggested presence of very small amount of mixed valency cations on equivalent lattice apart from the little amount created due to the release of an electron by divalent Ni to become trivalent. The magnetic properties of compound do not differ much from those of the reported for SrNi2W ferrite except a little decrease in saturation magnetization at room temperature due to canting effect. The experimental observations support presumed site preferences to a greater extent and also the prediction that the Li present on 4fVI sub-lattice results in small canting effect of 12k cations. The low value of coercivity observed is attributed to the larger particle size resulting due to prolonged heating.