The problem of AIREBO potentials

dear all
i did some research on the mechanical properties of graphene.
but i found that the stress-strain’s curve did not agree with the references which had been published
the configuration of the curve is described as followed:
1.with the increasing value of strain the stress increase
2.the gradiant of the curve decreases gradually with the increasing strain.
3.in the vicinity of the strength value published by articles.the gradiant of the curve increases along the strain.
the image of the curve is in the afflix.
in addition i find no fault in the input files
is there any need to modify the potentials file or could you tell me how to modify the file ?

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Hi Xuxiao,

dear all
i did some research on the mechanical properties of graphene.
but i found that the stress-strain's curve did not agree with the references
which had been published

Was the reference using AIREBO as well?

the configuration of the curve is described as followed:
1.with the increasing value of strain the stress increase
2.the gradiant of the curve decreases gradually with the increasing strain.
3.in the vicinity of the strength value published by articles.the gradiant
of the curve increases along the strain.
the image of the curve is in the afflix.

All of the above also depend on strain rate, which we know nothing of.

in addition i find no fault in the input files

There might not be errors in the input files, but might have improper settings.

is there any need to modify the potentials file or could you tell me how to
modify the file ?

Without looking at your input file, nobody can tell.