8.3. Stacking fault tetrahedron
To create a stacking fault tetrahedron,
Step 1:
Use the tool in the subdirectory tools/Fcc to creat an FCC single crystal sample by running the following command in Terminal. This will produce an ASCII text file of the atomic structure in current directory:
fcc_reg.lmp.
1Fcc 120 120 120 -x 1 -1 0 -y 1 1 0 -z 0 0 1 Cu
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 42 # 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