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

Kinetic Monte Carlo(n- fold method) II At each step a complete list of possible reactions for allsurface sites is considered Reaction event j is randomly selected according to:Ri=M= ∑ i = 1ri∑i= j − 1i=jr( )i= 1 ii=1 i< ξ < 11R∑Rrwith the random number chi, the total number of possiblereactions per step M and the reaction rate r The time increment delta R is calculated asδ t = −ln( ξ )R22( )