Hello
I am working on a graphene sheet of dimensions x=80, y=35 (Angstroms) and
compressing the sheet in the x-direction by fixing one end and applying a strain rate
to the other end of x. The strain rate is applied by zeroing the forces on the atoms of free end and
then giving them some velocity. However I don’t see a neat buckling in the sheet and also the bonds
are broken between the free end atoms irrespective of the strain rate value.
Is there some other method to compress the sheet using strain rate?
Also is it possible to do statics of the same problem?
Regards
Chakri
Hello
I am working on a graphene sheet of dimensions x=80, y=35 (Angstroms)
and
compressing the sheet in the x-direction by fixing one end and
applying a strain rate
to the other end of x. The strain rate is applied by zeroing the
forces on the atoms of free end and
then giving them some velocity. However I don't see a neat buckling in
the sheet and also the bonds
are broken between the free end atoms irrespective of the strain rate
value.
with such a vague description,
there is very little to comment on.
Is there some other method to compress the sheet using strain rate?
Also is it possible to do statics of the same problem?
you could generate correspondingly compressed
and slightly randomized coordinates for a data
file and then run minimizations using fix setforce
to zero out forces on atoms, that you want to
stay in place.
axel.