Bonding formation

Dear LAMMPS users,

Hi,

How can I make sure if some Si-Si bonding happens during my simulation as defects ?

Thanks,

Ali

Dear LAMMPS users,

Hi,

How can I make sure if some Si-Si bonding happens during my simulation as
defects ?

this would be a good question, if you and us were in the field of
computer animation (= career goal: a job at Pixar)

for computer simulation (= career goal: nobel prize), this is not a
good question.

in simulations, you provide the initial conditions (coordinates,
velocities, boundaries) and the model (pair style and others), and
then you have to let the physics of your model happen. if you have the
right setup, the right model and the are after a process that is
statistically relevant for the time and length scale you are looking
at, it will happen, if the physics support it.

axel.