[lammps-users] Initialize a two-component system on a predefined lattice

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1

Dear all,

I want to study a binary 2D LJ system, but I'm still stuck at the
creation of atoms process.

What is the simplest way to displace the two species so that they're
mixed together?
Can I use create_atoms with the basis keyword if I use the sq lattice
(instead of using custom)?
Can anyone provide me the syntax that should be used to do so?

So far i came up with

units lj
atom_style atomic

dimension 2

lattice sq 0.2
region sheet block -10 10 -10 10 -0.25 0.25

create_box 2 sheet

2

If all your atoms are on lattice sites (for both types),
then you can use the lattice and create_atoms command
to build your system. You just need to define what
your unit cell size/shape are, and how many basis atoms
it has. Then tile your geometry with it. The displacement
you speak of is simply putting different atoms in one
unit cell at different positions.

Steve