forked from lijiext/lammps
150 lines
4.9 KiB
Groff
150 lines
4.9 KiB
Groff
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LAMMPS (1 Feb 2014)
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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 MPI 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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fix 4 all enforce2d
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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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WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:439)
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#dump 1 all atom 500 dump.friction
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#dump 2 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5
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#dump_modify 2 pad 5
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#dump 3 all movie 500 movie.mpg type type # zoom 1.6 adiam 1.5
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#dump_modify 3 pad 5
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run 20000
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Memory usage per processor = 2.06213 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 -1.1437867 2444.9333
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1000 0.081958665 -3.0927273 0 -3.0589265 -0.021846131 2444.9333
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2000 0.082641883 -3.0850764 0 -3.0509938 -0.44960195 2444.9333
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3000 0.092293442 -3.0748001 0 -3.0367371 -0.25353161 2444.9333
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4000 0.096012911 -3.0565129 0 -3.0169159 -0.027669541 2444.9333
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5000 0.1 -3.0465555 0 -3.0053142 -0.099323956 2444.9333
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6000 0.11642983 -3.0390782 0 -2.991061 -0.21034609 2444.9333
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7000 0.11597774 -3.0331763 0 -2.9853456 -0.46345898 2444.9333
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8000 0.11937899 -3.0305561 0 -2.9813226 -0.30773083 2444.9333
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9000 0.111108 -3.0274067 0 -2.9815843 -0.5243749 2444.9333
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10000 0.11666452 -3.0170603 0 -2.9689463 -0.37436916 2444.9333
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11000 0.11005147 -3.0140407 0 -2.9686541 -0.46293236 2444.9333
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12000 0.11286668 -3.0174735 0 -2.9709258 -0.28406396 2444.9333
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13000 0.11280782 -3.0238036 0 -2.9772802 -0.41208934 2444.9333
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14000 0.1 -3.0332072 0 -2.9919659 -0.1785001 2444.9333
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15000 0.1148413 -3.0339717 0 -2.9866096 -0.4418584 2444.9333
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16000 0.11194137 -3.0322089 0 -2.9860428 -0.29354474 2444.9333
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17000 0.10699902 -3.0395654 0 -2.9954376 -0.37176577 2444.9333
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18000 0.11091428 -3.0400366 0 -2.9942941 -0.19329155 2444.9333
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19000 0.1094118 -3.0432032 0 -2.9980803 -0.38516174 2444.9333
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20000 0.11137857 -3.0442022 0 -2.9982683 -0.37419199 2444.9333
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Loop time of 1.88423 on 4 procs for 20000 steps with 1724 atoms
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Pair time (%) = 1.16936 (62.0606)
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Neigh time (%) = 0.0789706 (4.19113)
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Comm time (%) = 0.359838 (19.0974)
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Outpt time (%) = 0.00038904 (0.0206471)
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Other time (%) = 0.275667 (14.6302)
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Nlocal: 431 ave 493 max 377 min
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Histogram: 1 0 1 0 0 1 0 0 0 1
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Nghost: 96 ave 125 max 77 min
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Histogram: 1 1 0 0 1 0 0 0 0 1
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Neighs: 3596 ave 4228 max 3139 min
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Histogram: 1 1 0 0 0 1 0 0 0 1
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Total # of neighbors = 14384
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Ave neighs/atom = 8.34339
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Neighbor list builds = 700
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Dangerous builds = 0
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