4_4/set.4
General
- Tube: (4,4) tube, 5 unit cells, one vacancy (79 atoms)
- Temperature: 1500.0 K
- Time step: 1 hbar/eV
- Iterations: 43100
- Propagation time: 43100.000 hbar/eV (28.368 ps)
- Lattice constant: (12.369440, 15.923510)
- Velocity: 0.12528 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.2:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.3:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.4:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.5:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.6:
Temperature,
Pot. energy,
Movie,
Ejection of a C2 and formation of a wire (does not break).
- run.7:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.8:
Temperature,
Pot. energy,
Movie,
Formation of a six atom wire (does not break).
- run.9:
Temperature,
Pot. energy,
Movie,
Formation of a very short double wire, then tube breaks.
- run.10:
Temperature,
Pot. energy,
Movie,
Formation of a six atom wire (does not break).
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