I wanted to create a simulation box for a magnesium based alloy. For pure metal I was using create_atoms. I can't find out how to define alloy in LAMMPS.
Please advise and if there is any tutorial related with it then please let me know.
this is too trivial a problem to justify a whole tutorial. simply
reading through the LAMMPS manual should suffice for finding the
for a simple binary (random) alloy, the following procedure can be applied:
- reserve space for two atom types when creating the box
- use create_atoms to fill the box with atoms of one type
- use the set command to change a given fraction of those atoms to a
second atom type
for more details, look up the descriptions of those three commands in
for anything more complex, create the configuration with some external
tool of your choice or own design and write it out in the format of a
data file and then use read_data.