Dear All,
I am trying to simulate nanoindentation experiment on single layer graphene sheet using a diamond indenter. The problem I am facing is that, as the indentation process is going on the indenter is simply passing through the graphene sheet without causing any deformation to the sheet. For this reason, I am getting the load vs indentation depth graph with an incorrect trend with the load fluctuating from negative to positive and vice-versa.
I have attached my program and simulation file for convenience.
Thanks in advance.
in.indent.txt (1.73 KB)
FeC_Henriksson_2013.tersoff.zbl (2.02 KB)
Dear All,
I am trying to simulate nanoindentation experiment on single layer graphene
sheet using a diamond indenter. The problem I am facing is that, as the
indentation process is going on the indenter is simply passing through the
graphene sheet without causing any deformation to the sheet. For this
reason, I am getting the load vs indentation depth graph with an incorrect
trend with the load fluctuating from negative to positive and vice-versa.
I have attached my program and simulation file for convenience.
this input is incorrect and LAMMPS should refuse to run it.
which version of LAMMPS are you using?
LAMMPS should stop with this error:
ERROR: Incorrect args for pair coefficients (../pair_tersoff.cpp:299)
Last command: pair_coeff * * ./FeC_Henriksson_2013.tersoff.zbl C
axel.
Dear Axel Sir,
I am using the LAMMPS 2016 version. I did not got any error message regarding the potential. I have also used the same potential for some other simulations with graphene like tensile, bending, thermal etc. They also worked good without any error message.
Dear Axel Sir,
I am using the LAMMPS 2016 version. I did not got any error message
regarding the potential. I have also used the same potential for some other
simulations with graphene like tensile, bending, thermal etc. They also
worked good without any error message.
the error is not about the potential itself but your input. the fact
remains, that the input you posted, is incorrect (the pair_coeff line
is not the only error) and thus *cannot* have been used as you have
claimed. i have looked through the source code archive and the syntax
for the affected commands has remained the same for a long time.
if you want to be taken seriously and get help from the people on this
mailing list, you better make certain, that the information you
provide is accurate and take concerns like those i was raising very
seriously.
axel.
Dear Axel Sir,
I am extremely sorry for the inconvenience occurred from my side due to wrong file attachment. I will be more concern about this from next time onward.
Please find the correct input file attached which is running smoothly and with the same problem which I mentioned in my very first mail.
in.indent.txt (1.73 KB)
Dear Axel Sir,
I am extremely sorry for the inconvenience occurred from my side due to
wrong file attachment. I will be more concern about this from next time
onward.
Please find the correct input file attached which is running smoothly and
with the same problem which I mentioned in my very first mail.
your input does not make sense.
you are moving a group of atoms as indenter *and* apply fix indent to
the substrate. what is the point of that?
also, there is no time integration of substrate atoms, so they will
remain in place, regardless of the forces they experience, while fix
move will move atoms without considering the forces.
thus what you observe is exactly what you have told LAMMPS to do in your input.
please always remember: GI-GO.
axel.