8.8. Stacking fault tetrohedron array
To create an array of stacking fault tetrahedrons in an FCC single crystal sample,
Step 1:
Use the tool in subdirectory tools/Fcc to creat an FCC single crystal sample:
fcc_reg.lmp, use the shell script in subdirectory tools/para_file_tetrahedron_array to create the parameter file:para_file;
Step 2:
Open terminal, run the following command:
1CryDisGen para_file fcc_reg.lmp
Parameter file
Content of the para_file:
1Region
2-x 1 0 0
3-y 0 1 0
4-z 0 0 1
5-lat 3.615
6-pbc 1 1 1
7
8nTetrahedron 27
9Tetrahedron
10-tc -50 -50 -50
11-tr 21
12-tnorm 1 1 1
13-lxt 1 -1 0
14-lyt 1 1 -2
15
16Tetrahedron
17-tc -50 -50 0
18-tr 21
19-tnorm -1 1 -1
20-lxt -1 -1 0
21-lyt -1 1 2
22
23Tetrahedron
24-tc -50 -50 50
25-tr 21
26-tnorm -1 -1 1
27-lxt -1 1 0
28-lyt -1 -1 -2
29
30Tetrahedron
31-tc -50 0 -50
32-tr 21
33-tnorm -1 1 -1
34-lxt -1 -1 0
35-lyt -1 1 2
36
37Tetrahedron
38-tc -50 0 0
39-tr 21
40-tnorm -1 1 -1
41-lxt -1 -1 0
42-lyt -1 1 2
43
44Tetrahedron
45-tc -50 0 50
46-tr 21
47-tnorm 1 -1 -1
48-lxt 1 1 0
49-lyt 1 -1 2
50
51Tetrahedron
52-tc -50 50 -50
53-tr 21
54-tnorm 1 1 1
55-lxt 1 -1 0
56-lyt 1 1 -2
57
58Tetrahedron
59-tc -50 50 0
60-tr 21
61-tnorm -1 1 1
62-lxt 1 1 0
63-lyt -1 1 -2
64
65Tetrahedron
66-tc -50 50 50
67-tr 21
68-tnorm -1 1 -1
69-lxt -1 -1 0
70-lyt -1 1 2
71
72Tetrahedron
73-tc 0 -50 -50
74-tr 21
75-tnorm 1 1 -1
76-lxt -1 1 0
77-lyt 1 1 2
78
79Tetrahedron
80-tc 0 -50 0
81-tr 21
82-tnorm 1 1 -1
83-lxt -1 1 0
84-lyt 1 1 2
85
86Tetrahedron
87-tc 0 -50 50
88-tr 21
89-tnorm 1 1 1
90-lxt 1 -1 0
91-lyt 1 1 -2
92
93Tetrahedron
94-tc 0 0 -50
95-tr 21
96-tnorm -1 1 1
97-lxt 1 1 0
98-lyt -1 1 -2
99
100Tetrahedron
101-tc 0 0 0
102-tr 21
103-tnorm -1 -1 1
104-lxt -1 1 0
105-lyt -1 -1 -2
106
107Tetrahedron
108-tc 0 0 50
109-tr 21
110-tnorm 1 -1 1
111-lxt -1 -1 0
112-lyt 1 -1 -2
113
114Tetrahedron
115-tc 0 50 -50
116-tr 21
117-tnorm 1 -1 1
118-lxt -1 -1 0
119-lyt 1 -1 -2
120
121Tetrahedron
122-tc 0 50 0
123-tr 21
124-tnorm 1 1 -1
125-lxt -1 1 0
126-lyt 1 1 2
127
128Tetrahedron
129-tc 0 50 50
130-tr 21
131-tnorm 1 -1 1
132-lxt -1 -1 0
133-lyt 1 -1 -2
134
135Tetrahedron
136-tc 50 -50 -50
137-tr 21
138-tnorm -1 -1 -1
139-lxt 1 -1 0
140-lyt -1 -1 2
141
142Tetrahedron
143-tc 50 -50 0
144-tr 21
145-tnorm -1 -1 1
146-lxt -1 1 0
147-lyt -1 -1 -2
148
149Tetrahedron
150-tc 50 -50 50
151-tr 21
152-tnorm 1 -1 1
153-lxt -1 -1 0
154-lyt 1 -1 -2
155
156Tetrahedron
157-tc 50 0 -50
158-tr 21
159-tnorm -1 1 1
160-lxt 1 1 0
161-lyt -1 1 -2
162
163Tetrahedron
164-tc 50 0 0
165-tr 21
166-tnorm -1 1 -1
167-lxt -1 -1 0
168-lyt -1 1 2
169
170Tetrahedron
171-tc 50 0 50
172-tr 21
173-tnorm 1 -1 1
174-lxt -1 -1 0
175-lyt 1 -1 -2
176
177Tetrahedron
178-tc 50 50 -50
179-tr 21
180-tnorm -1 1 -1
181-lxt -1 -1 0
182-lyt -1 1 2
183
184Tetrahedron
185-tc 50 50 0
186-tr 21
187-tnorm 1 1 1
188-lxt 1 -1 0
189-lyt 1 1 -2
190
191Tetrahedron
192-tc 50 50 50
193-tr 21
194-tnorm -1 1 1
195-lxt 1 1 0
196-lyt -1 1 -2