forked from lijiext/lammps
141 lines
4.6 KiB
Groff
141 lines
4.6 KiB
Groff
LAMMPS (5 Oct 2007)
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# 2d friction simulation
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dimension 2
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boundary p s p
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atom_style atomic
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neighbor 0.3 bin
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neigh_modify delay 5
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# create geometry
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lattice hex 0.9
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Lattice spacing in x,y,z = 1.1327 1.96189 1.1327
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region box block 0 50 0 22 -0.25 0.25
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create_box 4 box
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Created orthogonal box = (0 0 -0.283174) to (56.6348 43.1615 0.283174)
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2 by 2 by 1 processor grid
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mass 1 1.0
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mass 2 1.0
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mass 3 1.0
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mass 4 1.0
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# atom regions
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region lo-fixed block INF INF INF 1.1 INF INF
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region lo-slab block INF INF INF 7 INF INF
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region above-lo block INF INF INF 7 INF INF side out
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region hi-fixed block INF INF 20.9 INF INF INF
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region hi-slab block INF INF 15 INF INF INF
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region below-hi block INF INF 15 INF INF INF side out
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region lo-asperity sphere 32 7 0 8
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region hi-asperity sphere 18 15 0 8
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region lo-half-sphere intersect 2 lo-asperity above-lo
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region hi-half-sphere intersect 2 hi-asperity below-hi
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# create 2 surfaces with asperities
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create_atoms 1 region lo-slab
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Created 750 atoms
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create_atoms 1 region hi-slab
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Created 750 atoms
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create_atoms 2 region lo-half-sphere
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Created 112 atoms
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create_atoms 3 region hi-half-sphere
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Created 112 atoms
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# LJ potentials
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pair_style lj/cut 2.5
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pair_coeff * * 1.0 1.0 2.5
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# define groups
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group lo region lo-slab
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750 atoms in group lo
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group lo type 2
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862 atoms in group lo
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group hi region hi-slab
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750 atoms in group hi
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group hi type 3
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862 atoms in group hi
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group lo-fixed region lo-fixed
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150 atoms in group lo-fixed
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group hi-fixed region hi-fixed
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150 atoms in group hi-fixed
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group boundary union lo-fixed hi-fixed
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300 atoms in group boundary
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group mobile subtract all boundary
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1424 atoms in group mobile
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set group lo-fixed type 4
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150 settings made for type
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set group hi-fixed type 4
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150 settings made for type
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# initial velocities
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compute new mobile temp/partial 0 1 0
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velocity mobile create 0.1 482748 temp new
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velocity hi set 1.0 0.0 0.0 sum yes
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# fixes
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fix 1 all nve
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fix 2 boundary setforce 0.0 0.0 0.0
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fix 3 mobile temp/rescale 200 0.1 0.1 0.02 1.0
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fix_modify 3 temp new
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# Run
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timestep 0.0025
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thermo 1000
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thermo_modify temp new
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dump 1 all atom 500 dump.friction
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run 20000
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Memory usage per processor = 1.34804 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 0.1 -3.1333672 0 -3.0921549 -1.1440307 2444.4558
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1000 0.08936608 -3.060858 0 -3.0240282 0.015747058 2444.4558
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2000 0.087353242 -3.0615115 0 -3.0255112 -0.49966222 2444.4558
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3000 0.097185838 -3.0626106 0 -3.0225581 -0.084736345 2444.4558
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4000 0.10514697 -3.0540883 0 -3.0107549 -0.34379432 2444.4558
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5000 0.10965701 -3.0502726 0 -3.0050804 0.13242136 2444.4558
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6000 0.1142368 -3.0461587 0 -2.9990791 -0.23407787 2444.4558
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7000 0.1 -3.038824 0 -2.9976117 -0.3283908 2444.4558
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8000 0.11116944 -3.0485104 0 -3.0026949 -0.42926135 2444.4558
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9000 0.11429391 -3.0445555 0 -2.9974523 -0.39751757 2444.4558
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10000 0.10617044 -3.050964 0 -3.0072087 -0.4320286 2444.4558
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11000 0.10925063 -3.0492538 0 -3.0042291 -0.39877306 2444.4558
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12000 0.11491574 -3.0511726 0 -3.0038132 -0.24990158 2444.4558
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13000 0.10704872 -3.0467833 0 -3.0026661 -0.4272322 2444.4558
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14000 0.10931685 -3.0488184 0 -3.0037664 -0.23385297 2444.4558
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15000 0.103619 -3.0474073 0 -3.0047036 -0.39914954 2444.4558
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16000 0.11669382 -3.0538214 0 -3.0057292 -0.29282079 2444.4558
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17000 0.10983692 -3.0489199 0 -3.0036536 -0.30423885 2444.4558
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18000 0.11157946 -3.0516854 0 -3.005701 -0.3165345 2444.4558
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19000 0.11408792 -3.0522616 0 -3.0052433 -0.39019198 2444.4558
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20000 0.10714842 -3.0629068 0 -3.0187485 -0.2392859 2444.4558
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Loop time of 10.3142 on 4 procs for 20000 steps with 1724 atoms
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Pair time (%) = 2.46177 (23.8678)
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Neigh time (%) = 0.124136 (1.20355)
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Comm time (%) = 6.03646 (58.5258)
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Outpt time (%) = 0.108821 (1.05506)
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Other time (%) = 1.58299 (15.3477)
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Nlocal: 431 ave 483 max 383 min
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Histogram: 1 1 0 0 0 0 0 1 0 1
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Nghost: 100 ave 118 max 84 min
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Histogram: 1 0 0 1 0 1 0 0 0 1
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Neighs: 3600.5 ave 4171 max 3180 min
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Histogram: 2 0 0 0 0 0 1 0 0 1
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Total # of neighbors = 14402
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Ave neighs/atom = 8.35383
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Neighbor list builds = 724
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Dangerous builds = 0
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