Abstract: In this paper, simulations are performed to gain a better insight into the properties of a Cl2/Ar plasma, with and without O2, during plasma etching of Si. Both plasma and surface properties are calculated in a self-consistent manner. Special attention is paid to the behavior of etch products coming from the wafer or the walls, and how the chamber walls can affect the plasma and the resulting etch process. Two modeling cases are considered. In the first case, the reactor walls are defined as clean (Al2O3), whereas in the second case a SiO2 coating is introduced on the reactor walls before the etching process, so that oxygen will be sputtered from the walls and introduced into the plasma. For this reason, a detailed reaction set is presented for a Cl2/O2/Ar plasma containing etched species, as well as an extensive reaction set for surface processes, including physical and chemical sputtering, chemical etching and deposition processes. Density and flux profiles of various species are presented for a better understanding of the bulk plasma during the etching process. Detailed information is also given on the composition of the surfaces at various locations of the reactor, on the etch products in the plasma and on the surface loss probabilities of the plasma species at the walls, with different compositions. It is found that in the clean chamber, walls are mostly chlorinated (Al2Cl3), with a thin layer of etch products residing on the wall. In the coated chamber, an oxy-chloride layer is grown on the walls for a few nanometers during the etching process. The Cl atom wall loss probability is found to decrease significantly in the coated chamber, hence increasing the etch rate. SiCl2, SiCl4 and SiCl3 are found to be the main etch products in the plasma, with the fraction of SiCl2 being always slightly higher. The simulation results compare well with experimental data available from the literature.

Abstract: In this article, we report on the synthesis of thin, epitaxial films of the transparent conductive oxide Al:ZnO on (0001)-oriented synthetic sapphire substrates by DC sputtering from targets with a nominal 1 at.% Al substitution. The deposition was carried out at an unusually low substrate temperature of only 250 °C in argonoxygen mixtures as well as in pure argon. The impact of the processgas composition on the morphology was analysed by transmission electron microscopy, revealing epitaxial growth in all the cases with a minor impact of the process parameters on the resulting grain sizes. The transport properties resistivity, Hall effect and magnetoresistance were studied in the range from 10 to 300 K in DC and pulsed magnetic fields up to 45 T. While the carrier density and mobility are widely temperature independent, we identified a low fieldlow temperature regime in which the magnetoresistance shows an anomalous, negative behaviour. At higher fields and temperatures, the magnetoresistance exhibits a more conventional, positive curvature with increasing field strength. As a possible explanation, we propose carrier scattering at localised magnetic trace impurities and magnetic correlations.

Abstract: Multiple-step martensitic transformations of an aged Ni51Ti49 single crystal using calorimetric method were investigated. Results show that for short aging times (1045 min) multiple-step martensitic transformations on cooling occur in two steps. Applying intermediate aging times (1.254 h) results in three steps and long aging times (more than 8 h) lead to two-step martensitic transformations again. This behavior has not been recognized in NiTi single crystals in literatures. It can be related to the heterogeneity of composition and stress fields around Ni4Ti3 precipitates.

Abstract: Sylgard®184/multiwalled carbon nanotube (MWNT) composites have been prepared by in situ polymerization using purified and functionalized multiwalled carbon nanotubes (f-MWNTs) as fillers. Surface modification of the MWNTs has been carried out by silanization with 7-octenyltrichlorosilane (7OTCS) and n-octyltrichlorosilane (nOTCS). The modification and dispersion of the carbon nanotubes in composites were characterized by X-ray photoelectron spectroscopy (XPS), transmission electron spectroscopy (TEM), and high-resolution transmission electron spectroscopy (HRTEM). Youngs modulus results were derived from indentation testing. It is shown that the terminal-vinyl group of 7OTCS molecules plays an essential role for both the dispersion of the f-MWNTs in the composite and its mechanical properties. At loading as low as 0.2 wt%, the Youngs modulus is shown to increase up to 50%. This is interpreted as resulting from a combination of the good compatibility in the forming silicone matrix of the MWNTs coated with a siloxane network, on the one hand, and the covalent links created between the terminal-vinyl groups and the host matrix in formation, on the other hand.

Abstract: A LuFe2O4+delta sample, previously characterized by X-ray synchrotron and neutron diffraction, has been studied by electron microscopy techniques, in order to get a precise description of its micro- and nanostructures at room temperature. The X-ray synchrotron data vs. temperature show that the monoclinic distortion is associated with the charge ordering; this distortion results in elongated twinning domains, which enhance the complexity of the microstructural state at room temperature. The structural modulation associated with oxygen excess is observed in large domains inside a non modulated matrix, in contrast with the modulations associated with the charge ordering of the Fe2+ and Fe3+ species, which are mostly short-range. The investigation of the nature and density of defects in the sample shows that they are nano-scaled, preserving the regularity of the layer stacking mode, and limited to the formation of one- or two-units large stacking faults, associated with gliding mechanisms. Based on these observations, an original description of the LuFe2O4 ferrite structure, through puckered [LuO4](infinity) sandwiching [Fe-2](infinity) layers, is proposed. (C) 2013 Elsevier Masson SAS. All rights reserved.

Abstract: Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism.

Abstract: Ferropericlase (fPer) inclusions from kimberlitic lower-mantle diamonds recovered in the Juina area, Mato Grosso State, Brazil were analyzed with transmission electron microscopy, electron energy-loss spectroscopy and the flank method. The presence of exsolved non-stoichiometric Fe3+-enriched clusters, varying in size from 1-2 nm to 10-15 nm and comprising similar to 3.64 vol.% of fPer was established. The oxidation conditions necessary for fPer formation within the uppermost lower mantle (P = 25 GPa, T = 1960 K) vary over a wide range: Delta log f(o2) (IW) from 1.58 to 7.76 (Delta = 6.2), reaching the fayalite-magnetite-quartz (FMQ) oxygen buffer position. This agrees with the identification of carbonates and free silica among inclusions within lower-mantle Juina diamonds. On the other hand, at the base of the lower mantle Delta log f(o2) values may lie at and below the iron-wustite (IW) oxygen buffer. Hence, the variations of Delta log f(o2) values within the entire sequence of the lower mantle may reach ten logarithmic units, varying from the IW buffer to the FMQ buffer values. The similarity between lower- and upper-mantle redox conditions supports whole mantle convection, as already suggested on the basis of nitrogen and carbon isotopic compositions in lower- and upper-mantle diamonds. The mechanisms responsible for redox differentiation in the lower mantle may include subduction of oxidized crustal material, mechanical separation of metallic phase(s) and silicate-oxide mineral assemblages enriched in ferric iron, as well as transfer of fused silicate-oxide material presumably also enriched in ferric iron through the mantle. (C) 2015 Elsevier B.V. All rights reserved.

Abstract: Nanostructured carbon materials show a tremendous variety in atomic structure, morphology, properties, and applications. As all properties are ultimately determined by the structure of the material, a thorough understanding of the growth mechanisms that give rise to the particular structure is critical. On many occasions, it has been shown that plasma enhanced growth can be strongly beneficial. This review will describe the authors current understanding of plasma enhanced growth of carbon nanotubes, the prototypical example of nanostructured carbon materials, as obtained from experiments, simulations, and modeling. Specific emphasis is put on where experiments and computational approaches correspond, and where they differ. Also, the current status on simulating PECVD growth of some other carbon nanomaterials is reviewed, including amorphous carbon, graphene, and metallofullerenes. Finally, computational challenges with respect to the simulation of PECVD growth are identified.

Abstract: Results are presented of in situ studies of 1 MeV electron irradiation induced (113) defect generation in silicon containing different types and concentrations of extrinsic point defects. A semiquantitative model is developed describing the influence of interfaces and stress fields and of extrinsic point defects on the (113) defect generation in silicon during irradiation. The theoretical results obtained are correlated with experimental data obtained on silicon uniformly doped with boron and phosphorus and with observations obtained by irradiating cross-sectional samples of wafers with highly doped surface layers. It is shown that in situ irradiation in a high voltage election microscope is a powerful tool for studying local point defect reactions in silicon. (C) 1995 The Institute of Materials.

Abstract: The dynamics of the pinned vortex, antivortex and interstitial vortex have been studied in superconducting/magnetic hybrids consisting of arrays of Co/Pd multilayer nanodots embedded in Nb films. The magnetic nanodots show out-of-plane magnetization at the remanent state. This magnetic state allows for superconducting vortex lattices of different types in an applied homogeneous magnetic field. We experimentally and theoretically show three such lattices: (i) a lattice containing only antivortices; (ii) a vortex lattice entirely pinned on the dots; and (iii) a vortex lattice with pinned and interstitial vortices. Between the flux creep (low vortex velocity) and the free flux flow (high vortex velocity) regimes the interaction between the magnetic array and the vortex lattice governs the vortex dynamics, which in turn enables distinguishing experimentally the type of vortex lattice which governs the dissipation. We show that the vortex lattice with interstitial vortices has the highest onset velocity where the lattice becomes ordered, whereas the pinned vortex lattice has the smallest onset velocity. Further, for this system, we directly estimate that the external force needed to depin vortices is 60% larger than the one needed to depin antivortices; therefore we are able to decouple the antivortex-vortex motion.