# 2d friction 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 50 0 22 -0.25 0.25 create_box 4 box mass 1 1.0 mass 2 1.0 mass 3 1.0 mass 4 1.0 # atom regions region lo-fixed block INF INF INF 1.1 INF INF region lo-slab block INF INF INF 7 INF INF region above-lo block INF INF INF 7 INF INF side out region hi-fixed block INF INF 20.9 INF INF INF region hi-slab block INF INF 15 INF INF INF region below-hi block INF INF 15 INF INF INF side out region lo-asperity sphere 32 7 0 8 region hi-asperity sphere 18 15 0 8 region lo-half-sphere intersect 2 lo-asperity above-lo region hi-half-sphere intersect 2 hi-asperity below-hi # create 2 surfaces with asperities create_atoms 1 region lo-slab create_atoms 1 region hi-slab create_atoms 2 region lo-half-sphere create_atoms 3 region hi-half-sphere # LJ potentials pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 # define groups group lo region lo-slab group lo type 2 group hi region hi-slab group hi type 3 group lo-fixed region lo-fixed group hi-fixed region hi-fixed group boundary union lo-fixed hi-fixed group mobile subtract all boundary set group lo-fixed type 4 set group hi-fixed type 4 # initial velocities compute new mobile temp/partial 0 1 0 velocity mobile create 0.1 482748 temp new velocity hi set 1.0 0.0 0.0 sum yes # fixes fix 1 all nve fix 2 boundary setforce 0.0 0.0 0.0 fix 3 mobile temp/rescale 200 0.1 0.1 0.02 1.0 fix_modify 3 temp new fix 4 all enforce2d # Run timestep 0.0025 thermo 1000 thermo_modify temp new #dump 1 all atom 500 dump.friction #dump 2 all image 500 image.*.jpg type type & # zoom 1.6 adiam 1.5 #dump_modify 2 pad 5 #dump 3 all movie 500 movie.mpg type type & # zoom 1.6 adiam 1.5 #dump_modify 3 pad 5 run 20000