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

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Scienomics LAMMPS additions Tersoff with repulsive three body interactions(tersoff/rep) – will be committed soon Bond angle: fourier, fourier/simple, quartic Dihedral: quadratic, nharmonic Improper: fourier
Conclusions Silicon films growth by PECVD modeled using KMCcombined with MD With KMC: overcome the problem of multiple time scales of the reactionsinvolved in the process good qualitative prediction of the deposition rate for a range ofconditions good qualitative prediction of the final composition in H for a rangeof conditions Film thickness of several 10 nm simulated With the MD simulations we target: Relaxation of the films produced from KMC Gradual relaxation of the film as it is developed fro KMC Study the molecular mechanisms relevant to properties such ascrystallinity and surface roughness
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 and 12: Tersoff Potential Bond Order Potent
Page 13 and 14: LAMMPS MD Results: Convergence of t
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: Monte Carlo based Tools

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

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