# 2d indenter simulation dimension 2 boundary p f p units real atom_style atomic neighbor 0.3 bin neigh_modify delay 5 # create geometry lattice hex 0.9 region box block -50 50 -10 50 -0.25 0.25 create_box 2 box region target block -10 10 0 10 -0.25 0.25 create_atoms 1 region target #region impacter block 5 11 15 20 -0.25 0.25 #create_atoms 1 region impacter region impactor sphere 0 30 0 5 create_atoms 1 region impactor 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 # group particle region impactor # initial velocities compute new mobile temp # velocity mobile create 0.2 482748 temp new # velocity particle set 0.0 -5.0 0.0 sum yes 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 dump m1 all movie 800 molefragreal.mpg type type size 1350 675 run 60000 # run without indenter #unfix 4 run 60000