forked from lijiext/lammps
141 lines
4.6 KiB
Groff
141 lines
4.6 KiB
Groff
LAMMPS (9 Jan 2009)
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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 = 1.69136 Mbytes
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Step Temp E_pair E_mol TotEng Press Volume
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0 0.1 -3.1333672 0 -3.0921259 -1.1440102 2444.4558
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1000 0.081958665 -3.0927273 0 -3.0589265 -0.021850399 2444.4558
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2000 0.082641883 -3.0850764 0 -3.0509938 -0.44968978 2444.4558
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3000 0.092293442 -3.0748001 0 -3.0367371 -0.25358115 2444.4558
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4000 0.096012911 -3.0565129 0 -3.0169159 -0.027674947 2444.4558
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5000 0.1 -3.0465555 0 -3.0053142 -0.09934336 2444.4558
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6000 0.11642983 -3.0390782 0 -2.991061 -0.21038719 2444.4558
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7000 0.11597773 -3.0331763 0 -2.9853456 -0.46354951 2444.4558
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8000 0.11937916 -3.0305564 0 -2.9813229 -0.30779256 2444.4558
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9000 0.11110731 -3.0274253 0 -2.9816032 -0.5245514 2444.4558
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10000 0.11533593 -3.0167931 0 -2.969227 -0.3589085 2444.4558
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11000 0.11347587 -3.0130738 0 -2.9662749 -0.47723571 2444.4558
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12000 0.10688909 -3.0229092 0 -2.9788267 -0.31337183 2444.4558
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13000 0.11881914 -3.0191983 0 -2.9701958 -0.43871352 2444.4558
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14000 0.10970971 -3.0345115 0 -2.9892658 -0.26475254 2444.4558
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15000 0.10683593 -3.030202 0 -2.9861414 -0.37883026 2444.4558
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16000 0.11039182 -3.0315771 0 -2.9860501 -0.31830843 2444.4558
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17000 0.11294566 -3.0314496 0 -2.9848693 -0.34449141 2444.4558
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18000 0.11747267 -3.0330363 0 -2.984589 -0.21439976 2444.4558
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19000 0.11287946 -3.0392425 0 -2.9926895 -0.38778831 2444.4558
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20000 0.10942894 -3.0360473 0 -2.9909174 -0.3375786 2444.4558
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Loop time of 10.2058 on 4 procs for 20000 steps with 1724 atoms
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Pair time (%) = 2.6057 (25.5315)
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Neigh time (%) = 0.123432 (1.20942)
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Comm time (%) = 5.74675 (56.3086)
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Outpt time (%) = 0.113881 (1.11584)
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Other time (%) = 1.61606 (15.8347)
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Nlocal: 431 ave 494 max 376 min
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Histogram: 1 0 1 0 0 0 1 0 0 1
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Nghost: 95 ave 124 max 75 min
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Histogram: 1 1 0 0 1 0 0 0 0 1
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Neighs: 3578.5 ave 4170 max 3130 min
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Histogram: 1 1 0 0 0 1 0 0 0 1
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Total # of neighbors = 14314
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Ave neighs/atom = 8.30278
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Neighbor list builds = 703
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Dangerous builds = 0
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