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

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Molecular Dynamics (LAMMPS) Newton’s equation of motionF =m a The force can be written as the gradient of the potentialenergyF =−∇ V Combine the two equations to getdVdr =−m d 2 rdt 2 A trajectory is obtained by solving this differentialequation NVT Simulations using the Nose Hover thermostat at 180K performed for this study
Tersoff Potential Bond Order Potential Strength of a chemical bond depends on the bondingenvironment, including the number of bonds and possiblyalso angles and bond length Exists in several modifications Implementation in LAMMPS needed modification to thefunctional form developed by Ohira( ) ⎡ ( ) ( )V = f r⎣a f r + b f rij C ij ij R ij ij A ijWhere the interaction parameter aij describes therepulsive Si-H interaction Implemented in LAMMPS for this project by Scienomics⎤⎦
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: KMC Results: Void distribution
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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