Hello everyone,
I am trying to simulate carbon nanotube apply both ends forces to calculate mechanical properties…
I am getting some errors, either “neighbor page size must be >= 10x the atom setting” or “neighbor list overflow, boost neigh_modify one or page” for the below code…
please explain me the mistakes i done…and the suggestions for those errors…
simulation of carbon nanotube
newton on
units metal
neighbor 2 bin
neigh_modify page 1000
boundary p p p
atom_style atomic
create geometry
lattice hcp 1
region cnt cylinder x 0 0 5 -25 25
create_box 3 cnt
create_atoms 1 box
mass 1 1.0
mass 2 1.0
mass 3 1.0
LJ potentials
pair_style airebo 2.5 1 1
pair_coeff * * /home/bhanu/lammps/potentials/CH.airebo C C C
LJ potentials
region 1 cylinder x 0 0 5 -25 -23
group left region 1
region 2 cylinder x 0 0 5 23 25
group right region 2
group boundary union left right
group mobile subtract all boundary
set group left type 2
set group right type 3
initial velocities
compute new mobile temp
velocity mobile create 300.0 887723 temp new
velocity right set 1.0 0.0 0.0
velocity mobile ramp vx 0.0 1.0 x -23 23 sum yes
fixes
fix 1 all nve
fix 2 boundary setforce NULL 0.0 0.0
run
timestep 0.004
thermo 500
thermo_modify temp new
neigh_modify exclude type 2 3
dump 1 all atom 500 dump.crack
run 10000
with regards