Hello everyone.
I am a student who study about graphene with lammps.
I study about the crack of graphene, as I inserted the crack various position now.
I do tensile analysis and i got data of stress, strain.
But after I got data, I couldn’t know whether stress is fracture stress or maximum stress or the stress value of each atoms.
In case of structure simulation tool like ANSYS and ABAQUS, I can find the stress information more specific.
I really would like to know more specific information of the stress.
What should I check? and is there any other checking program of output related to lammps. I use OVITO. Is it possible in VMD? or should I make any code or script?
Hello everyone.
I am a student who study about graphene with lammps.
I study about the crack of graphene, as I inserted the crack various position now.
I do tensile analysis and i got data of stress, strain.
But after I got data, I couldn’t know whether stress is fracture stress or maximum stress or the stress value of each atoms.
what the stress compute in LAMMPS compute is described in the documentation. https://lammps.sandia.gov/doc/compute_stress_atom.html
for more details, you can look up the corresponding referenced publication.
In case of structure simulation tool like ANSYS and ABAQUS, I can find the stress information more specific.
you cannot compare these with LAMMPS, as those are using macroscopic (continuum) models, while LAMMPS computes microscopic (per-atom) properties. you need to study some statistical mechanics (there are plenty of text books about it) to learn about the connection between the two views of material properties.
axel.