forked from lijiext/lammps
81 lines
1.7 KiB
Plaintext
81 lines
1.7 KiB
Plaintext
# 2d indenter simulation with minimization instead of dynamics
|
|
|
|
dimension 2
|
|
boundary p s p
|
|
|
|
atom_style atomic
|
|
neighbor 0.3 bin
|
|
neigh_modify delay 5
|
|
|
|
# create geometry
|
|
|
|
lattice hex 0.9
|
|
region box block 0 20 0 10 -0.25 0.25
|
|
create_box 2 box
|
|
create_atoms 1 box
|
|
|
|
mass * 1.0
|
|
|
|
# LJ potentials
|
|
|
|
pair_style lj/cut 2.5
|
|
pair_coeff * * 1.0 1.0 2.5
|
|
|
|
# define groups
|
|
|
|
region 1 block INF INF INF 1.25 INF INF
|
|
group lower region 1
|
|
group mobile subtract all lower
|
|
set group lower type 2
|
|
|
|
# initial velocities
|
|
|
|
fix 2 lower setforce 0.0 0.0 0.0
|
|
|
|
# indenter
|
|
|
|
fix 5 all enforce2d
|
|
|
|
# minimize with indenter
|
|
|
|
thermo 10
|
|
|
|
#dump 1 all atom 10 dump.indent
|
|
|
|
#dump 2 all image 25 image.*.jpg type type &
|
|
# zoom 1.6 adiam 1.5
|
|
#dump_modify 2 pad 4
|
|
|
|
#dump 3 all movie 25 movie.mpg type type &
|
|
# zoom 1.6 adiam 1.5
|
|
#dump_modify 3 pad 4
|
|
|
|
minimize 1.0e-6 1.0e-6 1000 1000
|
|
|
|
variable k equal 5000.0/xlat
|
|
variable k1 equal 1000.0/xlat
|
|
|
|
fix 4 all indent $k sphere 10 13.0 0 6.0
|
|
fix_modify 4 energy yes
|
|
minimize 1.0e-6 1.0e-6 1000 1000
|
|
|
|
fix 4 all indent ${k1} sphere 10 12.5 0 6.0
|
|
fix_modify 4 energy yes
|
|
minimize 1.0e-6 1.0e-6 1000 1000
|
|
|
|
fix 4 all indent ${k1} sphere 10 12.0 0 6.0
|
|
fix_modify 4 energy yes
|
|
minimize 1.0e-6 1.0e-6 1000 1000
|
|
|
|
fix 4 all indent ${k1} sphere 10 11.4 0 6.0
|
|
fix_modify 4 energy yes
|
|
minimize 1.0e-6 1.0e-6 1000 1000
|
|
|
|
fix 4 all indent ${k1} sphere 10 11.2 0 6.0
|
|
fix_modify 4 energy yes
|
|
minimize 1.0e-6 1.0e-6 1000 1000
|
|
|
|
fix 4 all indent ${k1} sphere 10 11.0 0 6.0
|
|
fix_modify 4 energy yes
|
|
minimize 1.0e-6 1.0e-6 1000 1000
|