8.3. Stacking fault tetrahedron

sft

To create a stacking fault tetrahedron,

Step 1:

Use the tool in subdirectory tools/Fcc to creat an FCC single crystal sample: fcc_reg.lmp;

Step 2:

Open terminal, run the following command:

1CryDisGen para_file fcc_reg.lmp

Parameter file

Content of the para_file:

 1#lines starting with '#' are comments
 2#crystal region definition
 3Region
 4-x      1 -1  0      # lattice orientation along x-axis
 5-y      1  1  0      # lattice orientation along y-axis
 6-z      0  0  1      # lattice orientation along z-axis
 7-lat    3.615        # lattice constant
 8-pbc    1  1  1      # boundary condition flags along x/y/z-axes: '1' for periodic, '0'for non-periodic
 9
10nTetrahedron  1       # number of stacking fault tetrahedra
11Tetrahedron           # label for tetrahedron section
12-tc     -0. 0. 0.     # center of the bottom face of the tetrahedron
13-tr      40           # radius of the circumscribed circle of the bottom face
14-tnorm  -1 -1 -1      # outward normal direction of the tetrahedron's bottom face
15-lxt     1 -1  0      # local x-axis on the bottom face
16-lyt    -1 -1  2      # local y-axis on the bottom face