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

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Combine KMC and MDExperiment conditionsFullgrowthKMCStepwisegrowthKMCmap to atomisticmap to atomisticMDMDmap to KMCFilm properties
Kinetic Monte Carlo(n- fold method) Based on Diamond lattice Complex chemical reaction involving different radicalspecies Physisorptions & Chemisorptions of gas phase radicals Bulkilization of Hydrogen passivated Si Subsequent abstraction of surface atoms (Eley-Rideal HydrogenAbstractions) Surface diffusion of physisorbed radicals Two separate reaction steps (Decoupled diffusionmethodology) Diffusion (Markovian Random Walk) All the other reactions
Page 1 and 2: LAMMPS User Group MeetingAugust 7-8
Page 3: Plasma Enhanced Vapor Deposition Ch
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 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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