8.6. Double helical dislocations

_images/double_helix.png 
1

To create double dislocation helices,

Step 1:

Use the tool in subdirectory tools/Bcc to creat an BCC crystal sample: bcc_reg.lmp, use the shell script in subdirectory tool/Helical_surface to create the mesh files of two helical surfaces: mesh0.dat and mesh1.dat;

Step 2:

Open terminal, run the following command:

1CryDisGen para_file bcc_reg.lmp

para_file

Content of the Parameter file:

 1#those started with '#' are comment lines
 2#crystal region
 3Region
 4-x     1 -1  0         # lattice orientation in x-direction
 5-y     1  1 -2         # lattice orientation in y-direction
 6-z     1  1  1         # lattice orientation in z-direction
 7-lat   2.867           # lattice constant of Fe
 8-pbc   1  1  1         # boundary condition flag: '1': pbc, '0': non-pbc
 9
10
11nHelix 2               # total number of helices
12Helix                  # lable of helix
13-bvh   1  1  1         # Burgers vector of helix
14-bsh   1/2             # scalar coefficient of Burgers vector, e.g., 1/2 in: 1/2<110>
15-f     mesh0.dat       # mesh of helical surface
16
17Helix
18-bvh   1  1  1
19-bsh   1/2
20-f     mesh1.dat