Dear All,
I am going to do MD simulation on the Graphene sheet in order to study the mechanical behavior of this material under tensile load,
what would be a suitable potential to model Graphene sheet?
Thanks
Azadeh
Dear All,
I am going to do MD simulation on the Graphene sheet in order to study the mechanical behavior of this material under tensile load,
what would be a suitable potential to model Graphene sheet?
Thanks
Azadeh
Dear All,
I am going to do MD simulation on the Graphene sheet in order to study the
mechanical behavior of this material under tensile load,what would be a suitable potential to model Graphene sheet?
have you reviewed the available literature?
that is where you should start looking.
axel.
You can use any potential for C-C interaction, like Tersoff, AIREBO provided in LAMMPS. But you should find the literature first as your reference like what said by Dr. Axel.
Cheers,
rizal
2011/4/18 Axel Kohlmeyer <[email protected]>