Hello,
I am attempting to indent Silicon with a diamond indenter.
Visually the indenter moves down but when it hits the silicon box I constructed, the atoms begin to mix and move around the simulation box instead of the silicon atoms being repulsed from the carbon atoms. I believe the issue lies within my potential files. Here is the code for it:
pair_style tersoff
pair_coeff * * SiC.potential Si C
I am using the Lammps potential file written by Rutuparna.
I have read the manual but am still unsure how to solve this problem and any help is valued.
Thank you
Hello,
I am attempting to indent Silicon with a diamond indenter.
Visually the indenter moves down but when it hits the silicon box I
constructed, the atoms begin to mix and move around the simulation box
instead of the silicon atoms being repulsed from the carbon atoms. I
believe the issue lies within my potential files. Here is the code for it:
what makes you think that? why could it not be, for instance, the speed
with which the indenter is applied?
pair_style tersoff
pair_coeff * * SiC.potential Si C
how could there be anything changed except the potential file itself for
tersoff style potentials??
I am using the Lammps potential file written by Rutuparna.
there are over 10 different SiC potential variants (tersoff and others)
provided as part of the LAMMPS distribution. please try (some of) those and
see if your observation is repeated with those.
beyond that, there is too little information here to say anything else.
axel