67,176 research outputs found

    Improved Orientation Sampling for Indexing Diffraction Patterns of Polycrystalline Materials

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    Orientation mapping is a widely used technique for revealing the microstructure of a polycrystalline sample. The crystalline orientation at each point in the sample is determined by analysis of the diffraction pattern, a process known as pattern indexing. A recent development in pattern indexing is the use of a brute-force approach, whereby diffraction patterns are simulated for a large number of crystalline orientations, and compared against the experimentally observed diffraction pattern in order to determine the most likely orientation. Whilst this method can robust identify orientations in the presence of noise, it has very high computational requirements. In this article, the computational burden is reduced by developing a method for nearly-optimal sampling of orientations. By using the quaternion representation of orientations, it is shown that the optimal sampling problem is equivalent to that of optimally distributing points on a four-dimensional sphere. In doing so, the number of orientation samples needed to achieve a indexing desired accuracy is significantly reduced. Orientation sets at a range of sizes are generated in this way for all Laue groups, and are made available online for easy use.Comment: 11 pages, 7 figure

    Solid-state amorphization of Cu nanolayers embedded in a Cu64Zr36 glass

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    Solid-state amorphization of crystalline copper nanolayers embedded in a Cu64Zr36 metallic glass is studied by molecular dynamics simulations for different orientations of the crystalline layer. We show that solid-state amorphization is driven by a reduction of interface energy, which compensates the bulk excess energy of the amorphous nanolayer with respect to the crystalline phase up to a critical layer thickness. A simple thermodynamic model is derived, which describes the simulation results in terms of orientation-dependent interface energies. Detailed analysis reveals the structure of the amorphous nanolayer and allows a comparison to a quenched copper melt, providing further insights into the origin of excess and interface energy.Comment: 16 pages, 18 figure

    Rolling and sliding of a nanorod between two planes: Tribological regimes and control of friction

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    The motion of a cylindrical crystalline nanoparticle sandwiched between two crystalline planes, one stationary and the other pulled at a constant velocity and pressed down by a normal load, is considered theoretically using a planar model. The results of our model calculations show that, depending on load and velocity, the nanoparticle can be either rolling or sliding. At sufficiently high normal loads, several sliding states characterized by different friction forces can coexist, corresponding to different orientations of the nanoparticle, and allowing one to have low or high friction at the same pulling velocity and normal load.Comment: 5 figure

    Phase Diagrams of Bi1-xSbx Thin Films with Different Growth Orientations

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    A closed-form model is developed to evaluate the band-edge shift caused by quantum confinement for a two-dimensional non-parabolic carrier-pocket. Based on this model, the symmetries and the band-shifts of different carrier-pockets are evaluated for BiSb thin films that are grown along different crystalline axes. The phase diagrams for the BiSb thin film systems with different growth orientations are calculated and analyzed

    Diffractive triangulation of radiative point sources

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    We describe a general method to determine the location of a point source of waves relative to a twodimensional single-crystalline active pixel detector. Based on the inherent structural sensitivity of crystalline sensor materials, characteristic detector diffraction patterns can be used to triangulate the location of a wave emitter. The principle described here can be applied to various types of waves, provided that the detector elements are suitably structured. As a prototypical practical application of the general detection principle, a digital hybrid pixel detector is used to localize a source of electrons for Kikuchi diffraction pattern measurements in the scanning electron microscope. This approach provides a promising alternative method to calibrate Kikuchi patterns for accurate measurements of microstructural crystal orientations, strains, and phase distributions

    Local order and orientational correlations in liquid and crystalline phases of carbon tetrabromide from neutron powder diffraction measurements

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    The liquid, plastic crystalline and ordered crystalline phases of CBr4_4 were studied using neutron powder diffraction. The measured total scattering differential cross-sections were modelled by Reverse Monte Carlo simulation techniques (RMC++ and RMCPOW). Following successful simulations, the single crystal diffraction pattern of the plastic phase, as well as partial radial distribution functions and orientational correlations for all the three phases have been calculated from the atomic coordinates ('particle configurations'). The single crystal pattern, calculated from a configuration that had been obtained from modelling the powder pattern, shows identical behavior to the recent single crystal data of Folmer et al. (Phys. Rev. {\bf B77}, 144205 (2008)). The BrBr partial radial distribution functions of the liquid and plastic crystalline phases are almost the same, while CC correlations clearly display long range ordering in the latter phase. Orientational correlations also suggest strong similarities between liquid and plastic crystalline phases, whereas the monoclinic phase behaves very differently. Orientations of the molecules are distinct in the ordered phase, whereas in the plastic crystal their distribution seems to be isotropic.Comment: 19 pages, 7 figures, accepted for publication in Physical Review B (http://prb.aps.org/

    Spin waves in ultrathin ferromagnetic overlayers

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    The influence of a non-magnetic metallic substrate on the spin wave excitations in ultrathin ferromagnetic overlayers is investigated for different crystalline orientations. We show that spin wave dumping in these systems occur due to the tunneling of holes from the substrate into the overlayer, and that the spin wave energies may be considerably affected by the exchange coupling mediated by the substrate.Comment: RevTeX 4, 7 pages, 5 figures; submitted to Phys. Rev.
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