[lammps-users] Concentration Variation

LAMMPS LAMMPS Mailing List Mirror
1

Dear LAMMPS user,

I am new to LAMMPS software. I can get the potential of Fe-Ni binary system for whole concentration range from literature but want to find how with changing Fe or Ni concentration will change the properties of alloy. How to proceed through read_data commands? Also, I want to know how to create atoms of binary elements of Fe-Ni alloy in the input script using
create_atom command.

Thanks in advance.

With Regards,

Agraj

2

Dear LAMMPS user,

I am new to LAMMPS software. I can get the potential of Fe-Ni binary system
for whole concentration range from literature but want to find how with
changing Fe or Ni concentration will change the properties of alloy. How to
proceed through read_data commands? Also, I want to know how to create atoms
of binary elements of Fe-Ni alloy in the input script using
create_atom command.

please read the lammps manual and study the examples that
come with the lammps distribution.

axel.

3

Potentials for something like Fe-Ni are input to LAMMPS. What LAMMPS
provides are in the potentials dir. If it isn't there you need to
find a potential
someplace, e.g. an EAM WWW site. Several are listed on the EAM doc page.

For read_data - many of the examples use input data files, so look at those.

For create_atoms, read the doc page for the command.

Steve