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4 results for “quasicrystal”
Dataset for "Self-assembly of dodecagonal and octagonal quasicrystals in hard spheres on a plane"
<p>This dataset contains supplementary data for the publication:<br> <em>Self-assembly of dodecagonal and octagonal quasicrystals in hard spheres on a plane</em><br> E. Fayen, M. Impéror-Clerc, L. Filion, G. Foffi, and F. Smallenburg</p> <p> </p> <p><strong>Contents:</strong><br> The folder Data contains subfolders for each of the simulations performed for the construction of Fig. 3 of the main paper. Each folder name contains the size ratio q, the fraction of large particles x_L, and the packing fraction e in the file name. Note that the fraction of large particles x_L is related to the quantity x_S used in the paper via x_L = 1 - x_S.</p> <p>For simulations that were run for longer times, an additional folder with the same naming convention is included in the subfolder Long.</p> <p>Each simulation subfolder includes:</p> <p>- A coordinate file "last.sph" representing the final configuration of the simulation in plain text format. In this file, the first line specifies the number of particles, the second line the box size and non-additivity parameter Delta, and the remaining lines the coordinates of the particles. Each line containing coordinates consists of a letter indicating particle species (a or b), three spatial coordinates (with the z-coordinate always zero), and the particle radius. All lengths are given in units of the large-particle diameter.</p> <p>- An image of the final particle configuration "snapshot.png".</p> <p>- An image representing the associated scattering pattern, obtained by taking the Fourier transform of the particle coordinates and plotting the result as a function of the 2D wave vector on a logarithmic color scale.</p> <p> </p> <p>Additionally, the main folder contains a set of HTML files ("table_q*.html") that provide an overview of the snapshots and scattering patterns for each size ratio (specified in the file name). The HTML table for each size ratio uses the images from the "Data" and "Data/Long" subfolders as appropriate, and depends on the included "SAtable.css" and "SAtable.js" files. Within each table, clicking on one of the entries will enlarge the associated images.<br> <br> </p>
2D honeycomb transformation into dodecagonal quasicrystals driven by electrostatic forces
<p>This repository contains the SXRD data measured for the 48-18-6 approximant in Sr-Ti-O on Pt(111). The data has been acquired at the SixS beamline of the Synchrotron SOLEIL in France on 19.09.2019.</p> <p>Monochromatic x-rays with photon energy of 11 keV were used to avoid Pt fluorescence (at 11.1 and 13 keV) and consequently reduced the background signal. The diffraction experiment was performed under grazing incidence at an angle of 0.2 °. The orientation matrix was defined relative to the Pt substrate lattice with its lattice constants of a = 392 pm.</p> <p>Additionally, the 3D voxel map generated from the raw data for further use in the binoculars software is provided as well as the input and output of SHELXL, which has been used for structure relaxation.</p>
2D honeycomb transformation into dodecagonal quasicrystals driven by electrostatic forces
<p>This repository contains the key input and output files used for the density fucntional theory calculations of the paper "Mechanism of 2D Oxide Quasicrystal formation from honeycomb structures" by Sebastian Schenk, Oliver Krahn, Eric Cockayne, Holger L. Meyerheim, Marc deBoissieu, Stefan F"orster, and Wolf Widdra (2022).</p> <p>The calculations were performed using the DFT code VASP, version 5.4.4 [Commercial software is mentioned in this README file to adquately described the procedure. This does not imply an endorsement or recommendation by the National Institute of Standards and Technology, nor that the software used is necessarily the best for the given<br> purpose.]</p> <p>The subfolder large_approximant contains the files for the large Sr<sub>48</sub>Ti<sub>132</sub>O<sub>204</sub> approximant on a Pt monolayer. Subfolders honeycomb/Pt<sub>N</sub> and sigma/Pt<sub>N</sub> contain the files for honeycomb and sigma Ba<sub>8</sub>Ti<sub>24</sub>O<sub>36</sub> structures on Pt trilayers with N Pt per layer per periodic cell. Subfolders honeycomb/Pt<sub>N</sub>/substrate contain the corresponding files<br> for the Pt substrate alone. The honeycomb and sigma structures are at the equilibrium strain as determined by matching interpolated stress results, as described in the Supplementary Information associated with the main Article.</p> <p>The input files are the standard VASP input files: POSCAR (structure information), POTCAR_TITEL (pseudopotential information. Because the VASP pseudopotential files are proprietary, only the titles of the pseudopotentials used are given), KPOINTS (k-point generation) and INCAR (most calculation details). To accelerate the DFT van der Waals calculation, the file vdw_kernel.bindat from the VASP package (not included here) should also be used. The output files are OSZICAR (summarizes energy at each iteration) and OUTCAR (full ouput).</p>
Spin Dynamics, Loop Formation and Cooperative Reversal in Artificial Quasicrystals with Tailored Exchange Coupling
<p>The attachment contains the dataset for the manuscript entitled "Spin Dynamics, Loop Formation and Cooperative Reversal in Artificial Quasicrystals with Tailored Exchange Coupling".</p> <p> </p>
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