Formation and structure of misfit dislocations at the La2Zr2O7-Y2O3 -stabilized ZrO2 (001) reaction front during vapour-solid reaction

La₂ Zr₂ O₇ (LZO)-based pyrochlore islands were grown on a Y₂ O₃ -stabilized ZrO₂ (YSZ) (001) single-crystal surface by the reaction between La₂O₃ vapour and the crystal. A network of interfacial edge dislocations with line directions [100] and [010] and Burgers vectors ( a_s/2)[101] and ( a_s/2)[011] respectively ( a_s being the lattice parameter of the YSZ) was observed at the moving LZO-YSZ reaction front. The interface-parallel component of the Burgers vectors accommodates the LZO-YSZ lattice mismatch of +5.0%, while the perpendicular component causes a slight tilt of the LZO lattice with respect to the YSZ lattice. The dislocation half-loops nucleate and glide on inclined {101} planes at the edges of the four corners of the growing islands.     

The formation of cubic and monoclinic Y2O3 nanoparticles in a gas-phase flame process

Synthesis of phase-pure cubic and monoclinic Y₂O₃ nanoparticles (16–90?nm) was achieved in a gas-phase flame process. The effect of process parameters on the crystal structure of the Y₂O₃ nanoparticles was systematically investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Fuel gases, H₂ or C₂H₄, at various flow rates, two yttrium precursors, an oxidant stream with varying degrees of N₂ or Ar dilution and different burner diameters were used to examine the effects of chemical atmosphere, flame temperature, residence time and precursor concentration on the crystal structure of the synthesized Y₂O₃ nanoparticles. Regardless of the other process parameters, at diluent/O₂ ratios of 0.25 or lower, monoclinic Y₂O₃ nanoparticles were obtained, whereas at diluent/O₂ ratios of 1 or higher, cubic Y₂O₃ nanoparticles were obtained. A lower diluent/O₂ ratio was related to higher flame temperature. Thermodynamic analyses suggest that high temperatures likely favour the formation of monoclinic Y₂O₃ nanoparticles in this flame process.     

Investigations of the optical spectra and local structure for nickel(II) ions in XF2 (X = Mg,Zn) single crystals

A complete diagonalization energy matrix method (CDM) is proposed for 3d ⁸ ions in orthorhombic site (D _{2 h} ) symmetry. As an application, the optical spectra of XF₂ : Ni²⁺ (X = Mg, Zn) is well explained on the basis of both the CDM and the semi-self-consistent field d-orbital (semi-SCF d-orbital) theory. In addition, by establishing the relationship between the optical spectra and local structure, it has been possible to calculate the crystal structure parameters for XF₂:Ni²⁺ from optical measurements on Ni²⁺ ions. The theoretical results are in good agreement with experimental findings.     

PbO compensation in the growth of PbWO4: Y3+ crystals

The light yield of Y³⁺-doped PbWO₄ crystals increases after low-dose-rate irradiation with?γ?rays, and the radiation hardness is sensitive to annealing temperature. In the PWO growth procedure, an excess of PbO in the starting materials is a convenient method of compensating for PbO volatility. The relationship between the excess of PbO and the abnormal radiation behaviour has been investigated. The mechanism of the normal excess of PbO in the growth of PWO: Y³⁺ is discussed.     

Synthesis and evolution of crystalline garnet phases in Y3Sc5– x Ga x O12

Mixed-metal oxides with the composition Y₃Sc _x Ga_{5? x} O₁₂ (x?=?2.0, 2.1, 2.2, 2.25, 2.3, 2.4, 2.5, and 3.0) have been prepared by an aqueous sol–gel method. The effects of scandium substitution on the garnet phase formation were studied by IR spectroscopy and X-ray powder diffraction (XRD). The XRD data indicate that single-phase Y₃Sc _x Ga_{5? x} O₁₂ ceramic samples were obtained for x?=?2.0, 2.1, 2.2, 2.25, 2.3, and 2.4. The results also show that the formation of Y₃Sc _x Ga_{5? x} O₁₂ garnets depends on the molar ratio of scandium and gallium in the investigated composition, and consequently on the mean cationic radius at the Al³⁺ sites. The variation of lattice parameters for the Y₃Sc _x Ga_{5? x} O₁₂ phases with different x is reported.     

Dislocation dissociation in the intermetallic compound MoSi2

Abstract

The identity of dislocations which contribute to plastic deformation of polycrystalline MoSi₂ when compressed at 1400°C has been determined using transmission electron microscopy. It has been confirmed that dislocations with Burgers vectors lying parallel to ? 100 ? and ? 111 ? are activated in response to the applied stress. In addition, the deformation microstructure is characterized by the presence of networks containing dislocations with Burgers vectors parallel to ? 100], ? 110] and ? 111 ?. It has been shown that dislocations with Burgers vectors lying parallel to ? 111 ? are dissociated. A simple explanation has been developed to account for the occurrence of dissociation of particular dislocations, and on the basis of this model the dissociation is represented by

½? 111 ?→ ½? 111 ?+SISF+¼? 111 ?

where SISF stands for a superlattice intrinsic stacking fault. The SISF energy has been estimated from the separation of the partial dislocations to be about 261 mJ m^?2. Other observations of the dissociation of dislocations in MoSi₂ have been interpreted in terms of the model developed in the present work.     

A study of the spin-Hamiltonian parameters for Cr5+ at the rhombically-distorted tetrahedral P5+ site of Ca2PO4Cl crystal using a two-mechanism model

The complete high-order perturbation formulae of spin-Hamiltonian (SH) parameters (g factors g_i and hyperfine structure constants A_i , where i = x, y, z) containing contributions from both the crystal-field (CF) and charge-transfer (CT) mechanisms (the latter mechanism is neglected in the widely-used CF theory) are established for d¹ ions in rhombic tetrahedra. From these formulae, the SH parameters of Cr⁵⁺ ion at the rhombically-distorted tetrahedral P⁵⁺ site of Ca₂PO₄Cl crystal are calculated. The CF and CT energy levels used in the calculation are obtained from the optical spectra of the studied Ca₂PO₄Cl : Cr⁵⁺ crystal. The calculated results showed reasonable agreement with the experimental values. The signs of the hyperfine structure constants A_i and the relative importance of the CT mechanism to SH parameters are acquired from the calculations.     

Synthesis and characterization of nanocrystalline MoBi2Te5 thin films for photoelectrode applications

Molybdenum bismuth telluride thin films have been prepared on clean glass substrate using arrested precipitation technique which is based on self-organized growth process. As deposited MoBi₂Te₅ thin films were dried in constant temperature oven at 110°C and further characterized for their optical, structural, morphological, compositional, and electrical analysis. Optical absorption spectra recorded in the wavelength range 300–800?nm showed band gap (E _g) 1.44?eV. X-ray diffraction pattern and scanning electron microscopic images showed that MoBi₂Te₅ thin films are granular, nanocrystalline having rhombohedral structure. The compositional analysis showed close agreements in theoretical and experimental atomic percentages of Mo⁴⁺, Bi³⁺, and Te^2? suggest that chemical formula MoBi₂Te₅ assigned to as deposited molybdenum bismuth telluride new material is confirmed. The electrical conductivity and thermoelectric power measurement showed that the films are semiconducting with n-type conduction. The fill factor and conversion efficiency was characterized by photoelectrochemical (PEC) technique. In this article, we report the optostructural, morphological, compositional, and electrical characteristics of nanocrystalline MoBi₂Te₅ thin films to check its suitability as photoelectrode in PEC cell.     

Pseudocontingencies derived from categorically organized memory representations

Pseudocontingencies (PCs) allow for inferences about the contingency between two variables X and Y when the conditions for genuine contingency assessment are not met. Even when joint observations X _i and Y _i about the same reference objects i are not available or are detached in time or space, the correlation r(X _i ,Y _i ) is readily inferred from base rates. Inferred correlations are positive (negative) if X and Y base rates are skewed in the same (different) directions. Such PC inferences afford useful proxies for actually existing contingencies. While previous studies have focused on PCs due to environmental base rates, the present research highlights memory organization as a natural source of PC effects. When information about two attributes X and Y is represented in a hierarchically organized categorical memory code, as category-wise base rates p(X) and p(Y), the reconstruction of item-level information from category base rates will naturally produce PC effects. Three experiments support this contention. When the yes base rates of two respondents in four questionnaire subscales (categories) were correlated, recalled and predicted item-level responses were correlated in the same direction, even when the original responses to specific items within categories were correlated in the opposite direction.     

Investigations of the optical spectra and EPR g-factors for the tetragonal Ce3+ centers in YPO4 and LuPO4 crystals

The optical spectral band positions and EPR g-factors (g_‖ , g _⊥) for the tetragonal Ce³⁺ centers in YPO₄ and LuPO₄ crystals with the zircon-structure are calculated using a complete diagonalization (of the energy matrix) method (CDM) related to 4f¹ ions in tetragonal symmetry. In this method, the Zeeman interaction term are added to the Hamiltonian in the conventional CDM and so no perturbation calculations are required to obtain the g factors. The crystal-field parameters used in the calculations are obtained from the superposition model in which the local lattice relaxation related to the bonding lengths is considered. The calculated results are in reasonable agreement with the experimental values. It is found that the four observed optical bands for both the systems can be attributed to Ce³⁺ ions in a tetragonal crystal field.     

Investigations of the optical and EPR spectra for VO2+ in NaHC2O4 · H2O single crystals

Theoretical calculations of the optical absorption and electron paramagnetic resonance (EPR) spectra of VO²⁺ in NaHC₂O₄?·?H₂O single crystals were performed using the complete diagonalization energy matrix method (CDM) and the perturbation theory method (PTM) for the 3d ¹ electronic configuration. The calculated results are in good agreement with experimental results. The negative signs of hyperfine structure constants A _∥ and A _⊥ for VO²⁺ in NaHC₂O₄·H₂O single crystals are suggested from the calculations. Comparison of the two calculation methods indicates that the PTM is a good approximation of CDM and that both theoretical methods are valid in interpretation of the optical and EPR spectra for VO²⁺ ions in NaHC₂O₄?·?H₂O crystals.     

Nanomachining of nanocrystalline nickel by focused ion beam

Nanocrystalline and sub-microcrystalline samples of nickel have been machined by a focused Ga⁺ ion beam (30?keV and 187?pA) at doses of 8.92?×?10¹⁶?–?2.68?×?10¹⁸ ions/cm² and their surface topography was investigated by atomic force microscopy (AFM). Values of the root-mean-square (RMS) roughness increase with increasing ion dose. The surfaces of the nanocrystalline Ni were smoother than those of the sub-microcrystalline Ni, indicating that smoothing due to diffusion for the former works more effectively than that for the latter.     

High-resolution in situ electron microscopy of a silicon surface modification by molten aluminium at high temperatures

High-resolution in situ heating experiments in a transmission electron microscope have been applied to a study of the surface modification of Si by molten Al in a vacuum of 1 10^-5 Pa. Transformation from an atomically rough to an atomically flat surface was induced by wetting of molten Al atoms. Si {110}, {112}, {115} and {773} surfaces show sawtooth-like structures composed of nanofacets. It is concluded that molten Al atoms remove a native amorphous oxide layer which existed on the original Si surface, making the surface 'clean' even in a non-ultra-high vacuum such as 10^-5Pa.     

Cascade effects on the irradiation stability of amorphous SiOC

We studied the heavy ion radiation tolerance of amorphous silicon oxycarbide (SiOC) alloys by in situ Kr ion irradiation within a transmission electron microscopy. The amorphous SiOC thin films were grown via co-sputtering from SiO₂ and SiC targets on a surface-oxidized Si (100) substrate. These films were irradiated by 1 MeV Kr ions at both room temperature and 300 °C with damage levels up to 5 displacements per atom (dpa). TEM characterization shows no sign of crystallization, void formation or segregation in all irradiated samples. Our findings suggest that SiOC alloys are a class of promising radiation tolerant materials.     

Comments on ‘A model of diffusion-induced grain boundary migration’ by T. K. Chaki

Abstract

Chaki (1988) has recently proposed a model for diffusion-induced grain boundary migration (DIGM). In his Letter he concluded that the interface energy of a grain boundary and the free energy of mixing are responsible for DIGM and, from the equations he derived, it was claimed that they can explain many DIGM experimental results. However, on examining his model closely there appear to be some fundamental difficulties. The following are comments on his Letter:

(1) In Chaki's calculation of ΔG_s he assumed that, after interface 1 had moved a distance δx, the radius of curvature of this interface increased from R to R + δx, which gives a surface energy drop of 2γV_m δx/R². However from many DIGM observations (for example Balluffi and Cahn (1981)) the curvature of a migrating boundary is increased rather then decreased, that is, the surface free- energy term actually prevents a grain boundary from migrating rather than helping it!

(2) Chaki considered ΔG_cryst during the migration of interface 2. It is also necessary to consider AGcrys, during the migration of interface 1, since within the migration distance δx the structure is changed from a crystalline structure to a grain boundary core structure. ΔG_m should also be considered during the migration of interface 2 since the concentration of the area swept by interface 2 will not be the same as that of a grain boundary core.     

Dislocation arrangements and crystallographic characterization of deformation band in fatigued copper single crystal

This letter reveals the dislocation arrangements and crystallographic characterization of deformation bands (denoted DBII) in a copper single crystal fatigued at a high strain amplitude gamma_pl = 8 x 10^-3. The results show that the surface deformation morphology of the crystal displays the following features. (1) Primary slip bands (SBs) were formed after 2 x 10⁴ cycles and these carried a relatively homogeneous and small plastic strain. (2) Secondary slip bands did not operate during cyclic deformation. (3) Deformation bands (DBs) with a width of 50 mum were homogeneously distributed over the whole surface of the crystal and were perpendicular to the SBs. (4) Dislocation patterns within the SBs often consisted of irregular structures, which did not show a persistent feature. The results indicate that these SBs are not typical persistent slip bands (PSBs). (5) Within the DBII, the microstructure can be classified into two types. One type consists of regular 100% ladder-like parallel PSBs. The other type is full of dislocation walls parallel to DB direction, which have not been reported previously. By crystallographic analysis of the DBII, it is shown that the habit plane of the DBII should correspond to the (101) plane. Based on the observations above, it is suggested that the formation of DBII should be attributed to the local regularization of dislocation walls within primary slip bands.     

Retention and thermal desorption of helium in amorphous and crystalline FeBSi alloys

Helium retention in metals is related to their atomic structure and the type of defects they contain. In order to investigate the dependence of helium retention on structure, amorphous Fe₇₉B₁₆Si₅ and crystalline FeBSi alloys were irradiated by helium ions at room temperature. In the crystalline alloy irradiated with 5 keV He⁺ ions, three types of helium trapping sites were found: surface defects produced by the irradiation, interstitial-type dislocation loops, and voids. Although these defects did not exist in the amorphous FeBSi alloy, we did observe thermal desorption peaks related to all three types. In addition, helium was released during the crystallization of amorphous FeBSi that had been irradiated by He⁺ ions.