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lammps/examples/friction/log.friction.18Feb13.linux.4
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LAMMPS (18 Feb 2013)
# 2d friction simulation
dimension 2
boundary p s p
atom_style atomic
neighbor 0.3 bin
neigh_modify delay 5
# create geometry
lattice hex 0.9
Lattice spacing in x,y,z = 1.1327 1.96189 1.1327
region box block 0 50 0 22 -0.25 0.25
create_box 4 box
Created orthogonal box = (0 0 -0.283174) to (56.6348 43.1615 0.283174)
2 by 2 by 1 MPI processor grid
mass 1 1.0
mass 2 1.0
mass 3 1.0
mass 4 1.0
# atom regions
region lo-fixed block INF INF INF 1.1 INF INF
region lo-slab block INF INF INF 7 INF INF
region above-lo block INF INF INF 7 INF INF side out
region hi-fixed block INF INF 20.9 INF INF INF
region hi-slab block INF INF 15 INF INF INF
region below-hi block INF INF 15 INF INF INF side out
region lo-asperity sphere 32 7 0 8
region hi-asperity sphere 18 15 0 8
region lo-half-sphere intersect 2 lo-asperity above-lo
region hi-half-sphere intersect 2 hi-asperity below-hi
# create 2 surfaces with asperities
create_atoms 1 region lo-slab
Created 750 atoms
create_atoms 1 region hi-slab
Created 750 atoms
create_atoms 2 region lo-half-sphere
Created 112 atoms
create_atoms 3 region hi-half-sphere
Created 112 atoms
# LJ potentials
pair_style lj/cut 2.5
pair_coeff * * 1.0 1.0 2.5
# define groups
group lo region lo-slab
750 atoms in group lo
group lo type 2
862 atoms in group lo
group hi region hi-slab
750 atoms in group hi
group hi type 3
862 atoms in group hi
group lo-fixed region lo-fixed
150 atoms in group lo-fixed
group hi-fixed region hi-fixed
150 atoms in group hi-fixed
group boundary union lo-fixed hi-fixed
300 atoms in group boundary
group mobile subtract all boundary
1424 atoms in group mobile
set group lo-fixed type 4
150 settings made for type
set group hi-fixed type 4
150 settings made for type
# initial velocities
compute new mobile temp/partial 0 1 0
velocity mobile create 0.1 482748 temp new
velocity hi set 1.0 0.0 0.0 sum yes
# fixes
fix 1 all nve
fix 2 boundary setforce 0.0 0.0 0.0
fix 3 mobile temp/rescale 200 0.1 0.1 0.02 1.0
fix_modify 3 temp new
# Run
timestep 0.0025
thermo 1000
thermo_modify temp new
WARNING: Temperature for thermo pressure is not for group all (thermo.cpp:436)
#dump 1 all atom 500 dump.friction
#dump 1 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5
#dump_modify 1 pad 5
run 20000
Memory usage per processor = 2.06744 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921259 -1.1437867 2444.9333
1000 0.081958665 -3.0927273 0 -3.0589265 -0.021846131 2444.9333
2000 0.082641883 -3.0850764 0 -3.0509938 -0.44960195 2444.9333
3000 0.092293442 -3.0748001 0 -3.0367371 -0.25353161 2444.9333
4000 0.096012911 -3.0565129 0 -3.0169159 -0.027669541 2444.9333
5000 0.1 -3.0465555 0 -3.0053142 -0.099323956 2444.9333
6000 0.11642983 -3.0390782 0 -2.991061 -0.21034609 2444.9333
7000 0.11597774 -3.0331763 0 -2.9853456 -0.46345898 2444.9333
8000 0.11937899 -3.0305561 0 -2.9813226 -0.30773083 2444.9333
9000 0.111108 -3.0274067 0 -2.9815843 -0.5243749 2444.9333
10000 0.11666452 -3.0170603 0 -2.9689463 -0.37436916 2444.9333
11000 0.11005147 -3.0140407 0 -2.9686541 -0.46293236 2444.9333
12000 0.11286668 -3.0174735 0 -2.9709258 -0.28406396 2444.9333
13000 0.11280782 -3.0238036 0 -2.9772802 -0.41208934 2444.9333
14000 0.1 -3.0332072 0 -2.9919659 -0.1785001 2444.9333
15000 0.1148413 -3.0339717 0 -2.9866096 -0.4418584 2444.9333
16000 0.11194137 -3.0322089 0 -2.9860428 -0.29354474 2444.9333
17000 0.10699902 -3.0395654 0 -2.9954376 -0.37176577 2444.9333
18000 0.11091428 -3.0400366 0 -2.9942941 -0.19329155 2444.9333
19000 0.1094118 -3.0432032 0 -2.9980803 -0.38516174 2444.9333
20000 0.11137857 -3.0442022 0 -2.9982683 -0.37419199 2444.9333
Loop time of 1.97972 on 4 procs for 20000 steps with 1724 atoms
Pair time (%) = 1.18649 (59.9324)
Neigh time (%) = 0.0773743 (3.90835)
Comm time (%) = 0.432971 (21.8703)
Outpt time (%) = 0.000461817 (0.0233274)
Other time (%) = 0.282418 (14.2656)
Nlocal: 431 ave 493 max 377 min
Histogram: 1 0 1 0 0 1 0 0 0 1
Nghost: 96 ave 125 max 77 min
Histogram: 1 1 0 0 1 0 0 0 0 1
Neighs: 3596 ave 4228 max 3139 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Total # of neighbors = 14384
Ave neighs/atom = 8.34339
Neighbor list builds = 700
Dangerous builds = 0
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