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527751273

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# 2d LJ crack simulation
dimension 2
boundary s s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 3
# create geometry
lattice hex 0.93
region box block 0 10 0 40 -5 5
create_box 5 box
create_atoms 1 box
mass 1 1.0
mass 2 1.0
mass 3 1.0
mass 4 1.0
mass 5 1.0
# LJ potentials
pair_style  lj/cut 2.5
pair_coeff  * * 1.0 1.0 2.5
# define groups
region 1 block 9.99 10 0 0.01 INF INF
group load1 region 1
region 2 block 9.99 10 23.99 24 INF INF
group load2 region 2
group load union load1 load2
group mobile subtract all load
region 3 block 0 0.01 15.99 16 INF INF
region 4 block 0 0.01 39.99 40 INF INF
group lower1 region 3
group lower2 region 4
group boundary union lower1 lower2
region  5 block INF 2 19.99 20.01 INF INF
region  6 block 8 INF 19.99 20.01 INF INF
group  lowernotch region 5
group  uppernotch region 6
group  notch union lowernotch uppernotch
delete_atoms  group notch
set  group load1 type 2
set  group load2 type 3
set  group lower1 type 4
set  group lower2 type 5
# initial velocities
velocity   load set -2.5e-3 0.0 0.0
minimize   1.0e-5 1.0e6 1000 1000
# fixes
fix  1 all nve
fix  2 load1 setforce 1000 NULL 0.0
fix  3 load2 setforce 5000 NULL 0.0
fix  4 boundary setforce 0.0 0.0 0.0
# run
timestep  0.00003
thermo  200
dump 1  all atom 500 dump8.lammpstrj
run  6000
2Â¥2011-08-24 21:24:09
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