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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1 by 1 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 = 1.43021 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 0.085622556 -3.0583969 0 -3.0231098 0.033995503 2444.4558
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2000 0.085921887 -3.0572271 0 -3.0218167 -0.51378547 2444.4558
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3000 0.10739474 -3.0650606 0 -3.0208008 -0.035547438 2444.4558
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4000 0.089682132 -3.04809 0 -3.01113 -0.19064505 2444.4558
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5000 0.10934102 -3.0485926 0 -3.0035307 0.1034494 2444.4558
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6000 0.10817011 -3.0584907 0 -3.0139113 -0.31026241 2444.4558
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7000 0.10519386 -3.0511555 0 -3.0078027 -0.23777457 2444.4558
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8000 0.11660726 -3.0348032 0 -2.9867467 -0.40191693 2444.4558
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9000 0.1 -3.0308538 0 -2.9896415 -0.30056676 2444.4558
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10000 0.10422874 -3.0468394 0 -3.0038843 -0.41010239 2444.4558
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11000 0.10907653 -3.0470568 0 -3.0021038 -0.39779677 2444.4558
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12000 0.10518096 -3.0467458 0 -3.0033983 -0.28073637 2444.4558
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13000 0.1052846 -3.0424889 0 -2.9990987 -0.39335018 2444.4558
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14000 0.10942544 -3.0462295 0 -3.0011328 -0.31177088 2444.4558
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15000 0.10696705 -3.0423514 0 -2.9982679 -0.39759929 2444.4558
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16000 0.11637773 -3.0496752 0 -3.0017132 -0.19541362 2444.4558
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17000 0.11090878 -3.0452336 0 -2.9995256 -0.41097653 2444.4558
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18000 0.11274493 -3.0471847 0 -3.0007199 -0.31516775 2444.4558
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19000 0.1058703 -3.0463493 0 -3.0027177 -0.28413841 2444.4558
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20000 0.11224126 -3.0475136 0 -3.0012564 -0.24520009 2444.4558
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Loop time of 10.9435 on 1 procs for 20000 steps with 1724 atoms
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Pair time (%) = 9.13253 (83.4518)
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Neigh time (%) = 0.468465 (4.28076)
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Comm time (%) = 0.069983 (0.639495)
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Outpt time (%) = 0.096806 (0.8846)
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Other time (%) = 1.1757 (10.7433)
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Nlocal: 1724 ave 1724 max 1724 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 142 ave 142 max 142 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 14388 ave 14388 max 14388 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 14388
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Ave neighs/atom = 8.34571
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Neighbor list builds = 736
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Dangerous builds = 0
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