# 2d indenter simulation 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 1.0 mass 2 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 compute new mobile temp velocity mobile create 0.2 482748 temp new fix 1 all nve fix 2 lower setforce 0.0 0.0 0.0 fix 3 all temp/rescale 100 0.1 0.1 0.01 1.0 # run with indenter timestep 0.003 variable k equal 1000.0/xlat variable y equal "13.0*ylat - step*dt*0.02*ylat" fix 4 all indent $k sphere 10 v_y 0 5.0 fix 5 all enforce2d thermo 1000 thermo_modify temp new #dump 1 all atom 250 dump.indent #dump 2 all image 1000 image.*.jpg type type & # zoom 1.6 adiam 1.5 #dump_modify 2 pad 5 #dump 3 all movie 1000 movie.mpg type type & # zoom 1.6 adiam 1.5 #dump_modify 3 pad 5 run 30000 # run without indenter unfix 4 run 30000