The primitive cell of CaCd6 quasicrystal approximant. The structure was taken from the alloy database at http://alloy.phys.cmu.edu.
Displacement threshold energies of atoms along the [1 0 0] direction.
Contour plots of the three-dimensional threshold displacement energy surface of one atom.
Time dependence of the energy of PKA and the maximum energy of Ca and Cd recoils.
Potential energy distributions before and after cascade with an energy of 10 keV at 0 K: (a) in the linear scale and (b) in the log scale.
Time dependence of the number of defects defined by both potential energy and the Voronoi method: (a) 1 keV; (b) 2 keV; (c) 5 keV; and (d) 10 keV.
Time dependence of the number of defects at 300 K.
Log-log plots of the number of defects as a function of the energy of primary knock on atoms at 0 K.
Distribution of Voronoi defects as a function of cluster size for 10 keV recoil at 0 K. (a) Interstitials. (b) Vacancies.
Distribution of Voronoi defects as a function of cluster size with different energies at 0 K. (a) Interstitials. (b) Vacancies.
Distribution of Voronoi defects as a function of cluster size at 0 and 300 K with a PKA energy of 10 keV. (a) Interstitials. (b) Vacancies.
Defects produced by replacement collision sequences with a PKA energy of 10 keV at 300 K; red lines represent the displacement of atoms.
Final damage state with a PKA energy of 2 keV at 0 K: (a) fcc Ca and (b) CaCd6. White (larger) spheres represent vacancy and green (smaller) spheres represent interstitial.
Number of interstitial and replacement atoms survival at the end of cascade simulations with energies from 1 to 10 keV at 0 and 300 K. I Ca is the number of Ca interstitials, I Cd is the number of Cd interstitials, R Ca is the number of Ca atoms in Cd site, and R Cd is the number of Cd atoms in Ca site.
Article metrics loading...
Full text loading...