8.1. Shockley partial loop

shockley

To create a Shockley 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#those started with '#' are comment lines
 2#crystal region
 3Region
 4-x       1  0  0      # lattice orientation in x-direction
 5-y       0  1  0      # lattice orientation in y-direction
 6-z       0  0  1      # lattice orientation in z-direction
 7-lat     3.615        # lattice constant
 8-pbc     1  1  1      # boundary condition flag: '1': pbc, '0': non-pbc
 9
10#dislcoation
11nLoop    1            # number of dislocaito loops
12Loop                  # label of a dislocation section
13-bv     -1  2 -1      # orientation of Burgers vector
14-bs      1/6          # scalar coefficient of Burger's vector, e.g., 1/2 in: 1/2<110>
15-dnorm   1  1  1      # normal direction of plane with dislocation loop
16-dc      0. 0. 0      # center of dislocation loop
17-dr      10           # radius of dislocaiton loopS
18-lx     -1  1  0      # local x axis on slip plane
19-ly     -1 -1  2      # local y axis on slip plane
20-ndisl   3            # segments of a discretized dislocation loop