Multiscale modeling of PECVD generated Silicon films ... - Lammps

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Ters<strong>of</strong>f Potential Validation Reproducing structural characteristics: Si(100)–2x1 reconstruction Si(100)-2x1 reconstructed, H terminated Si-Si : 2.4 Å Si-H : 1.521 Å Si-Si-H : 111.9 degOhira et al, Phys. Rev. B, 52, 8283, 1995Ohira et al, Surface Science, 458, 216–228, 2000
LAMMPS MD Results: Convergence <strong>of</strong> total energy:Total Energy (MeV)-2.6-2.7-2.8-2.9-3.0-3.1Total Energy (MeV)-3.180-3.182-3.184-3.186-3.188DR=6%-3.1905.0 5.5 6.0 6.5time (ns)DR=6%Total Energy (MeV)-1.80-1.81-1.82Total Energy (MeV)-1.821-1.822-1.823DR=5%DR=5%-1.8246.0 6.5 7.0 7.5 8.0time (ns)-3.20 1 2 3 4 5 6 7time (ns)-1.830 1 2 3 4 5 6 7 8time (ns)
Page 1 and 2: LAMMPS User Group MeetingAugust 7-8
Page 3 and 4: Plasma Enhanced Vapor Deposition Ch
Page 5 and 6: Kinetic Monte Carlo(n- fold method)
Page 7 and 8: KMC Results: Snapshot of KMC genera
Page 9 and 10: KMC Results: Void distribution
Page 11: Tersoff Potential Bond Order Potent
Page 15 and 16: LAMMPS MD Results: Autocorrelation
Page 17 and 18: LAMMPS MD Results: Bond Angle Distr
Page 19 and 20: Figure 12 - Example Attack Tree for
Page 21 and 22: LAMMPS MD Performance with modified
Page 23 and 24: Monte Carlo based Tools
Page 25 and 26: Conclusions Silicon films growth by

Multiscale modeling of PECVD generated Silicon films ... - Lammps

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