Hi Guys,
I wanted to define two alloy (using a singe potential) in my simulation box,
I tried this but it seems not working. The problem is that I cannot see the defined compositions in the two defined regions !
Could you please tell me how to solve it!
Thanks
------------Initialization ------------
units metal
dimension 3
boundary p p p
atom_style atomic
variable latparam equal 3.595
Define simulation box
lattice fcc ${latparam} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
region simbox block 0 20 0 20 0 20
create_box 4 simbox
------------ First alloy Definition ------------
region X block 0 20 0 20 0 10
create_atoms 1 region bom
mass 1 55.845 # Fe
mass 2 58.69 #Ni
mass 3 51.996 # Cr
mass 4 2.01 #H
set type 1 type/fraction 2 0.05 543
set type 1 type/fraction 3 0.015 111
set type 1 type/fraction 4 0.0 123
------------ Second alloy Definition ------------
region Y block 0 20 0 20 10.1 20
create_atoms 1 region pox
set type 1 type/fraction 2 0.6 543
set type 1 type/fraction 3 0.12 111
set type 1 type/fraction 4 0.0 123