Variation of lattice dimensions in epitaxial SnS films on MgO(001)

Epitaxial and polycrystalline SnS films were prepared on MgO(001) and glass substrates using molecular beam epitaxy. The films were characterized by X-ray diffraction method. The orientations of epitaxial films were (010)[100]SnS||(001)[100]MgO or (010)[001]SnS||(001)[100]MgO. Lattice parameters of the polycrystalline film closely resembled those of bulk SnS at room temperature. However, the lattice parameters of epitaxial films varied widely and were very different from those of bulk SnS at room temperature. Considering the lattice dimensions and a/c ratio, the films roughly correspond to bulk SnS at elevated temperatures from 371 to 666 K. SEM images of the films showed needle- or circular-like SnS crystallites segregated from the epitaxial films. Respective energies of indirect band gaps of the films and refractive index of the polycrystalline film were estimated using results of optical transmission experiments.     

Defect thermodynamic and transport properties of nanocrystalline Gd-doped ceria

Nanocrystalline CeO₂-doped (5, 7.5, 10, and 15 mol%) Gd₂O₃ powders, with a particle size of about 17 nm, were synthesized through the combustion of glycine/nitrate gels. Dense nanocrystalline materials were obtained by hot uniaxial sintering. Optical microscopy, scanning electron microscopy and transmission electron microscopy examinations, as well as X-ray diffraction analyses, have allowed us to characterize these polycrystals. The grain sizes, included between ∼10 and 80 nm, depend on both the sintering temperature and the amount of dopant. A comparison of the transport properties of these nanocrystalline samples to the values obtained with coarsened grained materials of same composition shows that the ionic conductivity passes through a maximum for mean grain sizes included between 300 and 500 nm. Furthermore, an enhancement of the ionic conductivity is observed when the amount of dopant increases. This was attributed to a grain-size-dependent gadolinium segregation at the periphery of the grains confirmed by X-ray photoelectron spectroscopy characterizations. Paper presented at the 11th EuroConference on the Science and Technology of Ionics, Batz-sur-Mer, France, 9–15 Sept. 2007.     

Hydrodynamic behavior of magnetized fluidized beds with admixtures of Geldart-B magnetizable and nonmagnetizable particles

This work focuses on the hydrodynamic behavior of admixtures of Geldart-B magnetizable and nonmagnetizable particles in a magnetized fluidized bed. The applied magnetic field was axial, uniform, and steady. In operating the beds, the magnetization-LAST mode was adopted under which four distinct flow regimes exist: fixed, magnetized-bubbling, partial segregation-bubbling, and total segregation-bubbling. The operational phase diagram was drawn to display the transitions between flow regimes in an intuitive manner. Only in the magnetized-bubbling regime could the magnetic field reduce the bubble size and improve fluidization quality. In the segregation-bubbling regimes, fluidization quality deteriorated as segregation developed. The segregation of the binary mixture was quantitatively studied by observing pressure drops in the local bed. Reasons for the improvement in fluidization quality as well as the occurrence of segregation were analyzed. Furthermore, the flow regime transition under magnetization-LAST operation mode was different from that under magnetization-FIRST mode. The magnetically stabilized bed (MSB) flow regime, which could be easily created under magnetization-FIRST mode, could no longer be achieved under magnetization-LAST mode. With the admixture, the MSB was proved to be a metastable equilibrium state. Under the magnetization-LAST mode, the admixture bed reached directly the stable equilibrium state—bubbling with segregation.     

Discrete element method study of shear-driven granular segregation in a slowly rotating horizontal drum

Segregation and mixing of granular materials are complex processes and are not fully understood. Motivated by industrial need, we performed a simulation using the discrete element method to study size segregation of a binary mixture of granular particles in a horizontal rotating drum. Particles of two different sizes were poured into the drum until it was 50% full. Shear-driven segregation was induced by rotating the side-plates of the drum in the opposite direction to that of the cylindrical wall. We found that radial segregation diminished in these systems but did not completely vanish. In an ordinary rotating drum, a radial core of smaller particles is formed in the center of the drum, surrounded by larger revolving particles. In our system, however, the smaller particles were found to migrate toward the side-plates. The shear from anti-spinning side-plates reduces the voidage and increases the bulk density. As such, smaller particles in the mixer tend to move to denser regions. We varied the shear by changing the coefficient of friction on the side-plates to study the influence of shear rate on this migration. We also compared the extent of radial segregation with stationary side-plates and with side-plates moving in different angular directions.     

2D DEM simulation of particle mixing in rotating drum:A parametric study

Mixing behaviors of equal-sized glass beads in a rotating drum were investigated by both DEM simulations and experiments. The experiments indicated that higher rotation speed can significantly enhance mixing. The particle profiles predicted by 2D DEM simulation were compared with the experimental results from a quasi-2D drum, showing inconsistency due to reduction of contacts in the single-layer 2D simulation which makes the driving friction weaker than that in the quasi-2D test, better results could be rea...     

Cu-Co双金属团簇结构演化及其性质的分子动力学模拟

采用分子动力学结合嵌入原子方法对比研究了Co分布于Cu-Co团簇不同层的结构和性质. 研究表明：Co原子分层掺杂可对团簇的结构转变点和熔点进行诱导控制;分层掺杂的Cu-Co团簇第一相变是一种扩散度较小的由立方八面体转变为二十面体的相变;Co原子易于向低能态团簇的亚表层（111）面偏析, 从而诱导团簇结构紊乱, 造成其熔点差异.     

Interaction of dopant atoms with stacking faults in silicon

The width of a stacking fault ribbon bound by a pair of partial dislocations in silicon crystals was unchanged when boron and gallium atoms of p-type dopant were agglomerated nearby the ribbon by annealing, even though the width increased when n-type dopant atoms were agglomerated as previously reported [Y. Ohno, Y. Tokumoto, I. Yonenaga, Thin Solid Films, accepted for publication]. The origin of the width-increase in n-type crystals was proposed as the reduction of the stacking fault energy, from 58±5 down to 46±5 mJ/m², due to an electronic interaction between the ribbon and the n-type dopant atoms, and the interaction energy was estimated to be 0.15±0.05 eV. On the other hand, the interaction of p-type dopant atoms with stacking faults was not detected.     

Growth mechanism of nanorods in REBa2Cu3Oy films (RE: rare-earth element)

Critical current density under magnetic fields has been improved by the introduction of artificial pinning centers. Nanorods in REBa₂Cu₃O_y films are significantly effective as c-axis-correlated pinning centers. However, nanorods sometimes tilt from the c-axis direction of superconducting films. To understand the mechanism of nanorod tilting, ErBa₂Cu₃O_y films containing Ba(Nb_0.5Er_0.5)O₃ (BNO) nanorods were deposited on a SrTiO₃ single crystal with a vicinal surface. Microstructures of the nanorods were examined by transmission electron microscopy (TEM). As a result, it was found that BNO nanorods grew diagonally from steps of the substrate surface in cross-sectional TEM images. The mechanism of the diagonal growth of nanorods can be explained by the segregation coefficient.     

Impurity segregation in directional solidified multi-crystalline silicon

In this paper numerical results on the impurity segregation in directional solidified multi-crystalline silicon are presented and compared with experimental results. A solute transport model has been established to predict the final segregation pattern of impurities in the ingot. The segregation is analyzed experimentally on the basis of Fourier transform infrared (FTIR) spectroscopy and glow-discharge mass spectrometry (GDMS). Precipitates were located by IR-transmission microscopy (IRM). Qualitative agreement between simulation and experiment is found. It is demonstrated how the flow pattern can influence the final solute distribution. The simulation also shows that the solubility limit of carbon and nitrogen is reached locally in the ingot and SiC and Si₃N₄ precipitates are likely to form.