[lammps-users] Chemical bond


I have a system with two different types of lattices joined only at one ends; say same sized Si-Ge blocks are joined at one end. Is there any way i can control the no of bonds formed between Si & Ge atoms at the interface??


What force field are you planning to use? One with
explicit bonds or one with implicit, like Tersoff? In the
latter you have no control over what bonds are formed other
than the parameters you specify for the ff, including cross terms.