4_0/set.17
General
- Tube: (4,0) tube, 7 unit cells, two vacancies (110 atoms)
- Temperature: 320.0 K
- Time step: 1 hbar/eV
- Iterations: 117200
- Propagation time: 117200.000 hbar/eV (77.141 ps)
- Lattice constant: (30.004336, 41.725930)
- Velocity: 0.15195 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
First very long double wire, then eleven atom single wire, then tube breaks.
- run.2:
Temperature,
Pot. energy,
Movie,
Same stuff. 14 atom wire (does not break).
- run.3:
Temperature,
Pot. energy,
Movie,
Similar. Complex structure bridging the two segments, than then develops in a 12 atom wire, that then breaks.
- run.4:
Temperature,
Pot. energy,
Movie,
Similar. 11 atom wire.
- run.5:
Temperature,
Pot. energy,
Movie,
Similar. The wire breaks a bits earlier (in the middle), for it contains a side-chain.
- run.6:
Temperature,
Pot. energy,
Movie,
Similar. The simulation ended earlier due to an ejection of a C2.
- run.7:
Temperature,
Pot. energy,
Movie,
The same as the previous run.
- run.8:
Temperature,
Pot. energy,
Movie,
Same stuff. Long double wire, followed by a 16 atom single wire (does not break).
- run.9:
Temperature,
Pot. energy,
Movie,
Nine atom wire, that then breaks.
- run.10:
Temperature,
Pot. energy,
Movie,
Same stuff. 13 atom wire that then breaks.
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