I have simulated the tensile test of a carbon nanotube with LAMMPS. I have seen in the literature that some authors presented the structure of the CNTs with colors in regard to the intense of the stress or strain. An example is attached to this question. I use OVITO or VMD for visualizing my structures.
Thank you in advance.
I agree with Vladimir's simple solution, where 'XYZ file' means dump file. The data file format in lammps is fixed and for most interaction models it includes just x,y,z and vx,vy,vz, you can't let lammps add extra custom columns to it, as far as I know. But the dump file format is freely editable if you use the 'custom' setting. So with that, you can include all sorts of info extra columns that present the stresses, strains, etc. you want.
Also easy using VMD. Any custom data per-atom + per-frame can easily we read into VMD using TCL and the user[2-3] custom fields in the atomselect objects. Afterwards it can be used for coloring of atoms in all the representations that VMD offers, including updates while playing the trajectory (nice for videos). Displaying the corresponding color scale bar can be done using the respective plugin.
Ehsan Shahini Do you have LAMMPS code for the computation of tensile strength of SWCNT?
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