140 lines
4.5 KiB
Groff
140 lines
4.5 KiB
Groff
LAMMPS (1 Oct 2006)
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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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region box block 0 50 0 22 -0.25 0.25
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create_box 4 box
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Created 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 lo-slab
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Created 750 atoms
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create_atoms 1 hi-slab
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Created 750 atoms
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create_atoms 2 lo-half-sphere
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Created 112 atoms
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create_atoms 3 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 lo-fixed atom 4
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150 settings made
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set hi-fixed atom 4
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150 settings made
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# initial velocities
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temperature new mobile 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 100 dump.friction
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run 20000
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Memory usage per processor = 1.53824 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 -1.3466755 1384.4128
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1000 0.085622556 -3.0583969 0 -3.0231098 0.040017208 1384.4128
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2000 0.085921887 -3.0572271 0 -3.0218167 -0.60479351 1384.4128
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3000 0.10739474 -3.0650606 0 -3.0208008 -0.04184404 1384.4128
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4000 0.089682132 -3.04809 0 -3.01113 -0.22441446 1384.4128
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5000 0.10934102 -3.0485926 0 -3.0035307 0.12177364 1384.4128
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6000 0.10817011 -3.0584907 0 -3.0139113 -0.36521995 1384.4128
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7000 0.10519415 -3.0511557 0 -3.0078027 -0.279893 1384.4128
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8000 0.11660453 -3.0348037 0 -2.9867483 -0.47310792 1384.4128
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9000 0.1 -3.0308672 0 -2.9896549 -0.35351908 1384.4128
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10000 0.10012993 -3.0431145 0 -3.0018486 -0.4837576 1384.4128
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11000 0.11987001 -3.0484839 0 -2.9990827 -0.45971209 1384.4128
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12000 0.11063404 -3.0457139 0 -3.000119 -0.32411476 1384.4128
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13000 0.11214672 -3.0407157 0 -2.9944974 -0.4453681 1384.4128
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14000 0.11127122 -3.0431707 0 -2.9973132 -0.35672869 1384.4128
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15000 0.11311298 -3.0456742 0 -2.9990577 -0.42235702 1384.4128
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16000 0.11003354 -3.0519914 0 -3.0066441 -0.24377861 1384.4128
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17000 0.095617549 -3.0478455 0 -3.0084393 -0.54070059 1384.4128
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18000 0.10655281 -3.0497371 0 -3.0058242 -0.2968023 1384.4128
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19000 0.096661108 -3.0630512 0 -3.0232149 -0.35284808 1384.4128
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20000 0.099961152 -3.0606412 0 -3.0194449 -0.39275101 1384.4128
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Loop time of 42.478 on 1 procs for 20000 steps with 1724 atoms
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Pair time (%) = 34.1596 (80.4171)
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Neigh time (%) = 1.4565 (3.42883)
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Comm time (%) = 0.402718 (0.948062)
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Outpt time (%) = 1.64536 (3.87344)
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Other time (%) = 4.81384 (11.3326)
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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: 141 ave 141 max 141 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 14389 ave 14389 max 14389 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 14389
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Ave neighs/atom = 8.34629
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Neighbor list builds = 730
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Dangerous builds = 0
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