8.2. Frank partial loop

frank

To create a Frank partial dislocation loop,

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
10#dislcoation
11nLoop   1            # number of dislocaiton loops
12Loop                 # label for dislocation loop section
13-bv     1  1  1      # orientation of Burgers vector
14-bs    -1/3          # scalar coefficient of Burgers vector, e.g., 1/2 in 1/2<110>
15-dnorm  1  1  1      # normal direction of dislocation plane
16-dc     0. 0. 0.     # center of dislocation loop
17-dr     25           # radius of dislocaiton loop
18-lx     1 -1  0      # local x-axis on dislocation plane
19-ly     1  1 -2      # local y-axis on dislocation plane
20-ndisl  4            # number of segments/vertices in a discretized dislocation loop