LAMMPS (18 Feb 2013) # 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 Lattice spacing in x,y,z = 1.1327 1.96189 1.1327 region box block 0 50 0 22 -0.25 0.25 create_box 4 box Created orthogonal box = (0 0 -0.283174) to (56.6348 43.1615 0.283174) 1 by 1 by 1 MPI processor grid 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 Created 750 atoms create_atoms 1 region hi-slab Created 750 atoms create_atoms 2 region lo-half-sphere Created 112 atoms create_atoms 3 region hi-half-sphere Created 112 atoms # LJ potentials pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 # define groups group lo region lo-slab 750 atoms in group lo group lo type 2 862 atoms in group lo group hi region hi-slab 750 atoms in group hi group hi type 3 862 atoms in group hi group lo-fixed region lo-fixed 150 atoms in group lo-fixed group hi-fixed region hi-fixed 150 atoms in group hi-fixed group boundary union lo-fixed hi-fixed 300 atoms in group boundary group mobile subtract all boundary 1424 atoms in group mobile set group lo-fixed type 4 150 settings made for type set group hi-fixed type 4 150 settings made for type # 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 # Run timestep 0.0025 thermo 1000 thermo_modify temp new WARNING: Temperature for thermo pressure is not for group all (thermo.cpp:436) #dump 1 all atom 500 dump.friction #dump 1 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5 #dump_modify 1 pad 5 run 20000 Memory usage per processor = 2.06912 Mbytes Step Temp E_pair E_mol TotEng Press Volume 0 0.1 -3.1333672 0 -3.0921259 -1.1437867 2444.9333 1000 0.1 -3.0915465 0 -3.0503052 0.010015559 2444.9333 2000 0.1 -3.0826487 0 -3.0414074 -0.42012889 2444.9333 3000 0.089819692 -3.07584 0 -3.0387972 -0.25252108 2444.9333 4000 0.098489874 -3.0667093 0 -3.0260907 -0.25506538 2444.9333 5000 0.11379986 -3.0557087 0 -3.0087762 -0.080871179 2444.9333 6000 0.11269179 -3.04532 0 -2.9988445 -0.33381202 2444.9333 7000 0.1 -3.0380598 0 -2.9968185 -0.32423909 2444.9333 8000 0.1 -3.0346453 0 -2.993404 -0.38015347 2444.9333 9000 0.1 -3.0324305 0 -2.9911892 -0.42940009 2444.9333 10000 0.11811429 -3.0334969 0 -2.984785 -0.32538147 2444.9333 11000 0.11627653 -3.0344827 0 -2.9865288 -0.45037424 2444.9333 12000 0.11250787 -3.0472157 0 -3.000816 -0.27347069 2444.9333 13000 0.11429889 -3.0455404 0 -2.9984021 -0.28832736 2444.9333 14000 0.11292741 -3.0466673 0 -3.0000946 -0.38939496 2444.9333 15000 0.11239299 -3.0460428 0 -2.9996905 -0.35437935 2444.9333 16000 0.11775554 -3.0457709 0 -2.997207 -0.14263984 2444.9333 17000 0.11456908 -3.0459128 0 -2.998663 -0.3686153 2444.9333 18000 0.1165453 -3.0454305 0 -2.9973657 -0.3572725 2444.9333 19000 0.11403056 -3.0440495 0 -2.9970218 -0.25462158 2444.9333 20000 0.11801421 -3.0462201 0 -2.9975495 -0.23484136 2444.9333 Loop time of 5.71207 on 1 procs for 20000 steps with 1724 atoms Pair time (%) = 4.62848 (81.0298) Neigh time (%) = 0.305739 (5.35251) Comm time (%) = 0.0428324 (0.749857) Outpt time (%) = 0.000311375 (0.00545117) Other time (%) = 0.73471 (12.8624) Nlocal: 1724 ave 1724 max 1724 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 147 ave 147 max 147 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 14384 ave 14384 max 14384 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 14384 Ave neighs/atom = 8.34339 Neighbor list builds = 723 Dangerous builds = 0