Hello everyone,
I am trying to conduct some fatigue simulation on SiC. I am using Tersoff Potential. Since it is a fatigue simulation at each step a crack will be created at the maximum opening and there is going to be crack closer again. The problem it the bonds that are broken during crack opening would form again at crack closer. I was wondering if there is anyway to remove the interaction between atoms that are far enough during crack opening.
Thanks,
Shahin
Hello everyone,
I am trying to conduct some fatigue simulation on SiC. I am using Tersoff
Potential. Since it is a fatigue simulation at each step a crack will be
created at the maximum opening and there is going to be crack closer again.
The problem it the bonds that are broken during crack opening would form
again at crack closer. I was wondering if there is anyway to remove the
interaction between atoms that are far enough during crack opening.
what you describe sound like you are mixing up macroscopic behavior
and atomic scale behavior.
more importantly, in a tersoff potential, interactions are not
pairwise additive. you'd have to derive a completely new potential to
implement the behavior you describe.
axel.
The mesoscale model Peridynamics (implemented in LAMMPS
as the PERI package), is designed for modeling fracture.
It has bonds that are initially defined, but once they
break, they do not reform.
Steve