Dear LAMMPS users,
I’m new LAMMPS user. I am attempting to model the interface between a titanium carbide thin film and a Ti6Al4V substrate but I’m having trouble with the input file. The objective is to essentially do a pull-off experiment in LAMMPS where I remove the thin film from the substrate. I’ve shared a link to my project files. Inside you’ll find:
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A dump file from when I got the program to run but incorrectly
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A meam library file
3)The input file
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2 meam parameter files for TiAl and TiC
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An lmp file giving the coordinates of the atoms
The specific lines in the input file that are giving me trouble at the moment are:
potentials
pair_style hybrid meam/c morse 2.5
pair_coeff * * meam/c library3.meam Al NULL NULL Al NULL
pair_coeff * * meam/c library3.meam Ti NULL Ti NULL NULL
pair_coeff * * meam/c library3.meam C NULL NULL NULL C
pair_coeff * * meam/c library3.meam Ti Al TiAlpar2.meam Ti Al NULL
pair_coeff * * meam/c library3.meam Ti C TiCpar2.meam Ti NULL C
pair_coeff 2 3 morse 0.4691 1.738 2.246
the error says: All pair coeffs are not set
Project files:
https://drive.google.com/open?id=1NQZ7SzK3MjxwS8Kc9jHY7Iv0ZQIJHs6u
Best Regards,
Nathanael