8.10. Combination of dislocations
To create a combination of different types of dislocations in FCC single crystal sample,
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
3 Region
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
11 nLoop 4 # number of dislocaito loops
12 Loop # label of a dislocation section
13 -bv 1 1 1 # orientation of Burger's vector
14 -bs 1/3 # 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 25 # 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
21
22 Loop
23 -bv -2 -1 -1
24 -bs 1/6
25 -dnorm -1 1 1
26 -dc 30 0 0
27 -dr 15
28 -lx -1 -1 0
29 -ly 1 -1 2
30 -ndisl 3
31
32 nTetrahedron 1 # number of stacking fault tetrahedron
33 Tetrahedron # label of tetrahedron
34 -tc 20 20 20.5 # center of the bottom face of tetrahedron
35 -tr 25 # radius of the circumscribe circle of the bottom face
36 -tnorm -1 -1 -1 # outward nomral direction bottom face of tetrahedron
37 -lxt 1 -1 0 # local x axis on the bottom face
38 -lyt -1 -1 2 # local y axis on the bottom face
39
40 Loop
41 -bv -1 -1 0
42 -bs 1/2
43 -dnorm -1 1 1
44 -dc 30 30 -20
45 -dr 15
46 -lx -1 -1 0
47 -ly 1 -1 2
48 -ndisl 15
49
50 Loop
51 -bv 1 1 0
52 -bs 1/2
53 -dnorm 1 1 0
54 -dc -20 -20 -0
55 -dr 30
56 -lx -1 1 -1
57 -ly -1 1 2
58 -ndisl 4