Dear lammps-users:
I meet a problem when using pair_style meam.
I want to rebulid the model in F. Maresca’s article(http://dx.doi.org/10.1016/j.actamat.2017.05.044),,) but when I use meam potential, something is wrong. I hope someone can help me solve it.
The following is input and meam potential:
Input:
units metal
dimension 3
boundary p p p
atom_style atomic
atom_modify sort 0 0
lattice bcc 2.86 orient x -5 1 -4 orient y -1 -1 1 orient z -1 3 2
region box block -5 5 -5 5 -20 38
create_box 3 box
create_atoms 1 box
mass 1 55.8
mass 2 55.8
mass 3 55.8
region 1 block INF INF INF INF INF 0
group bcc1 region 1
region 2 block INF INF INF INF 18 INF
group bcc2 region 2
region 3 block INF INF INF INF 0 18
group bcc union bcc1 bcc2
set group bcc type 1
delete_atoms region 3
lattice fcc 3.59 orient x -1 1 -1 orient y -1 0 1 orient z 1 2 1
create_atoms 3 region 3
pair_style meam/c
pair_coeff * * Fe-sf-T.meam Fe
min_style sd
minimize 1.0e-25 1.0e-25 1000000 1000000
dump 1 all atom 1 dump.face
run 100
MEAM potential:
Ec = 4.28
alpha = 5.027
re = 2.469
Cmax = 1.9
Cmin = 0.63
attrac = 0.0
repuls = 0.3
asub = 0.585
b0 = 3.8
b1 = 2.0
b2 = 0.9
b3 = 0.0
t1 = -0.8
t2 = 12.3
t3 = 2.0
Thanks in advance:)
Zifan Liu