Structure and microstructure evolution of Al-Mg-Si alloy processed by equal-channel angular pressing

An ultrafine grained Al–Mg–Si alloy was prepared by severe plastic deformation using the equal-channel angular pressing (ECAP) method. Samples were ECAPed through a die with an inner angle of F = 90° and outer arc of curvature of ¿ = 37° from 1 to 12 ECAP passes at room temperature following route Bc. To analyze the evolution of the microstructure at increasing ECAP passes, X-ray diffraction and electron backscatter diffraction analyses were carried out. The results revealed two distinct processing regimes, namely (i) from 1 to 5 passes, the microstructure evolved from elongated grains and sub-grains to a rather equiaxed array of ultrafine grains and (ii) from 5 to 12 passes where no change in the morphology and average grain size was noticed. In the overall behavior, the boundary misorientation angle and the fraction of high-angle boundaries increase rapidly up to 5 passes and at a lower rate from 5 to 12 passes. The crystallite size decreased down to about 45 nm with the increase in deformation. The influence of deformation on precipitate evolution in the Al–Mg–Si alloy was also studied by differential scanning calorimetry. A significant decrease in the peak temperature associated to the 50% of recrystallization was observed at increasing ECAP passes.Peer ReviewedPreprin

Thermal breakdown of ZnTe nanowires

As the applications for inorganic nanowires continuously grow, studies on the stability of these structures under high electrical/thermal stress conditions are needed. ZnTe nanowires are grown by the vapor-liquid-solid technique and their breakdown under Joule heating is studied through in situ monitoring in a transmission electron microscope (TEM). The experimental setup, consisting of a scanning tunneling microscope (STM) and a movable piezotube inside the TEM, allows the manipulation of a single nanowire. A voltage applied to the STM tip in contact with a ZnTe nanowire leads to the breakdown of the nanowire into Zn and Te particles or balls which is observed in real time. These balls grow by Ostwald ripening, rendering the surface morphology of the ZnTe nanowire progressively rough. Diffraction patterns along the stem of the wire after the partial breakdown showed substantially smaller lattice spacing compared to 0.35 nm for pristine ZnTe nanowires.X111013sciescopu

In situ Observation of Morphological Change in CdTe Nano- and Submicron Wires

We report growth and characterization of CdTe wires 30-400 nm in diameter by the vapor-liquid-solid technique. Individual nanowires were placed on a movable piezotube, which allowed three-dimensional motion toward a scanning tunneling microscope (STM). A bias was applied to the STM tip in contact with the nanowire, and the morphological changes due to Joule heating were observed in situ using a transmission electron microscope (TEM) in real time. For thick CdTe wires (d > similar to 150 nm), the process results in the growth of superfine nanowires (SFNWs) of 2-4 nm diameter on the surface of the wire. Smaller diameter nanowires, in contrast, disintegrate under the applied bias before the complete evolution of SFNWs on the surface.X11910sciescopu

A computational and experimental investigation of the mechanical properties of single ZnTe nanowires

One-dimensional nanostructures such as ZnTe, CdTe, Bi2Te3 and others have attracted much attention in recent years for their potential in thermoelectric devices among other applications. A better understanding of their mechanical properties is important for the design of devices. A combined experimental and computational approach has been used here to investigate the size effects on the Young's modulus of ZnTe nanowires (NWs). The mechanical properties of individual ZnTe nanowires in a wide diameter range (50-230 nm) were experimentally measured inside a high resolution transmission electron microscope using an atomic force microscope probe with the ability to record in situ continuous force-displacement curves. The in situ observations showed that ZnTe NWs are flexible nanostructures with the ability to withstand relatively high buckling forces without becoming fractured. The Young's modulus is found to be independent of nanowire diameter in the investigated range, in contrast to reported results for ZnO NWs and carbon nanotubes where the modulus increases with a decrease in diameter. Molecular dynamics simulations performed for nanowires with diameters less than 20 nm show limited size dependence for diameters smaller than 5 nm. The surface atoms present lower Young's modulus according to the simulations and the limited size dependency of the cylindrical ZnTe NWs is attributed to the short range covalent interactions.open111515sciescopu

Supramolecular Organization of Functional Organic Materials in the Bulk and at Organic/Organic Interfaces: A Modeling and Computer Simulation Approach

The molecular organization of functional organic materials is one of the research areas where the combination of theoretical modeling and experimental determinations is most fruitful. Here we present a brief summary of the simulation approaches used to investigate the inner structure of organic materials with semiconducting behavior, paying special attention to applications in organic photovoltaics and clarifying the often obscure jargon hindering the access of newcomers to the literature of the field. Special attention is paid to the choice of the computational "engine" (Monte Carlo or Molecular Dynamics) used to generate equilibrium configurations of the molecular system under investigation and, more importantly, to the choice of the chemical details in describing the molecular interactions. Recent literature dealing with the simulation of organic semiconductors is critically reviewed in order of increasing complexity of the system studied, from low molecular weight molecules to semiflexible polymers, including the challenging problem of determining the morphology of heterojunctions between two different materials