Carbon Foam

LAMMPS input script

### Created by Eric N. Hahn ###

### ericnhahn@gmail.com ###

### Simple Carbon Foam ###

### Version 0.1 ###

units metal

atom_style atomic

variable cubelength equal 72

region box block 0 ${cubelength} 0 ${cubelength} 0 ${cubelength}

create_box 2 box

create_atoms 1 random 3666 12345 box

pair_style airebo/morse 3.0 1 1

pair_coeff * * CH.airebo-m C H

mass 1 12.0107

mass 2 1.00784

velocity all create 100.0 12345

compute 3 all pe/atom

fix 2 all balance 1000 1.05 shift xyz 10 1.05

dump eve all custom 250 dump.Cfoam_sythesis_999K.* id type x y z vx vy vz c_3

minimize 1e-10 1e-10 5000 5000

fix 1 all nve

fix temp all langevin 999 999 5 12345

timestep 0.001

thermo_style custom step temp pe etotal press vol

thermo 100

run 1000000

write_data data.Cfoam_sythesis_999K

print "Job's done"