4_4/set.6
General
- Tube: (4,4) tube, 5 unit cells, one vacancy (79 atoms)
- Temperature: 1500.0 K
- Time step: 1 hbar/eV
- Iterations: 31100
- Propagation time: 31100.000 hbar/eV (20.470 ps)
- Lattice constant: (12.369440, 17.498470)
- Velocity: 0.25056 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.2:
Temperature,
Pot. energy,
Movie,
Eight wire tube (does not break).
- 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,
Tube breaks.
- run.7:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.8:
Temperature,
Pot. energy,
Movie,
Four atom wire (does not break)
- run.9:
Temperature,
Pot. energy,
Movie,
Three wire tube, then tube breaks. Chain of atoms is formed in one of the ends of the tube.
- run.10:
Temperature,
Pot. energy,
Movie,
Twelve atom chain (does not break).
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