4_4/set.9
General
- Tube: (4,4) tube, 5 unit cells, one vacancy (79 atoms)
- Initial temperature: 320.0 K
- Time step: 1 hbar/eV
- Iterations: 44300
- Propagation time: 44300.000 hbar/eV (29.158 ps)
- Lattice constant: (12.369440, 16.022466)
- Velocity: 0.12528 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.2:
Temperature,
Pot. energy,
Movie,
Tube breaks (should propagate longer to see the ends close?).
- 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,
Multi-wires are formed. At the end a six atom wire survives (does not break).
- run.7:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.8:
Temperature,
Pot. energy,
Movie,
Breaks in a messy way. At the end a five atom wire survives (does not break).
- run.9:
Temperature,
Pot. energy,
Movie,
Tube breaks.
- run.10:
Temperature,
Pot. energy,
Movie,
Tube breaks, but then gets connected by a short wire (does not break).
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