1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Molecular dynamics simulation of radiation damage in CaCd6 quasicrystal cubic approximant up to 10 keV
Rent:
Rent this article for
USD
10.1063/1.4811183
/content/aip/journal/jcp/138/23/10.1063/1.4811183
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/23/10.1063/1.4811183

Figures

Image of FIG. 1.
FIG. 1.

The primitive cell of CaCd quasicrystal approximant. The structure was taken from the alloy database at http://alloy.phys.cmu.edu.

Image of FIG. 2.
FIG. 2.

Displacement threshold energies of atoms along the [1 0 0] direction.

Image of FIG. 3.
FIG. 3.

Contour plots of the three-dimensional threshold displacement energy surface of one atom.

Image of FIG. 4.
FIG. 4.

Time dependence of the energy of PKA and the maximum energy of Ca and Cd recoils.

Image of FIG. 5.
FIG. 5.

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.

Image of FIG. 6.
FIG. 6.

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.

Image of FIG. 7.
FIG. 7.

Time dependence of the number of defects at 300 K.

Image of FIG. 8.
FIG. 8.

Log-log plots of the number of defects as a function of the energy of primary knock on atoms at 0 K.

Image of FIG. 9.
FIG. 9.

Distribution of Voronoi defects as a function of cluster size for 10 keV recoil at 0 K. (a) Interstitials. (b) Vacancies.

Image of FIG. 10.
FIG. 10.

Distribution of Voronoi defects as a function of cluster size with different energies at 0 K. (a) Interstitials. (b) Vacancies.

Image of FIG. 11.
FIG. 11.

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.

Image of FIG. 12.
FIG. 12.

Defects produced by replacement collision sequences with a PKA energy of 10 keV at 300 K; red lines represent the displacement of atoms.

Image of FIG. 13.
FIG. 13.

Final damage state with a PKA energy of 2 keV at 0 K: (a) fcc Ca and (b) CaCd. White (larger) spheres represent vacancy and green (smaller) spheres represent interstitial.

Tables

Generic image for table
Table I.

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. is the number of Ca interstitials, is the number of Cd interstitials, is the number of Ca atoms in Cd site, and is the number of Cd atoms in Ca site.

Loading

Article metrics loading...

/content/aip/journal/jcp/138/23/10.1063/1.4811183
2013-06-21
2014-04-20
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Molecular dynamics simulation of radiation damage in CaCd6 quasicrystal cubic approximant up to 10 keV
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/23/10.1063/1.4811183
10.1063/1.4811183
SEARCH_EXPAND_ITEM