Multiscale modeling of PECVD generated Silicon films ... - Lammps
Multiscale modeling of PECVD generated Silicon films ... - Lammps
Multiscale modeling of PECVD generated Silicon films ... - Lammps
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Ters<strong>of</strong>f Potential Bond Order Potential Strength <strong>of</strong> a chemical bond depends on the bondingenvironment, including the number <strong>of</strong> 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⎤⎦
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