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lammps/examples/friction/log.friction.21May08.linux.4
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LAMMPS (21 May 2008)
# 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 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
dump 1 all atom 500 dump.friction
run 20000
Memory usage per processor = 1.69136 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921259 -1.1440102 2444.4558
1000 0.081958665 -3.0927273 0 -3.0589265 -0.021850399 2444.4558
2000 0.082641883 -3.0850764 0 -3.0509938 -0.44968978 2444.4558
3000 0.092293442 -3.0748001 0 -3.0367371 -0.25358115 2444.4558
4000 0.096012911 -3.0565129 0 -3.0169159 -0.027674947 2444.4558
5000 0.1 -3.0465555 0 -3.0053142 -0.09934336 2444.4558
6000 0.11642983 -3.0390782 0 -2.991061 -0.21038719 2444.4558
7000 0.11597773 -3.0331763 0 -2.9853456 -0.46354951 2444.4558
8000 0.11937916 -3.0305564 0 -2.9813229 -0.30779256 2444.4558
9000 0.11110731 -3.0274253 0 -2.9816032 -0.5245514 2444.4558
10000 0.11533593 -3.0167931 0 -2.969227 -0.3589085 2444.4558
11000 0.11347587 -3.0130738 0 -2.9662749 -0.47723571 2444.4558
12000 0.10688909 -3.0229092 0 -2.9788267 -0.31337183 2444.4558
13000 0.11881914 -3.0191983 0 -2.9701958 -0.43871352 2444.4558
14000 0.10970971 -3.0345115 0 -2.9892658 -0.26475254 2444.4558
15000 0.10683593 -3.030202 0 -2.9861414 -0.37883026 2444.4558
16000 0.11039182 -3.0315771 0 -2.9860501 -0.31830843 2444.4558
17000 0.11294566 -3.0314496 0 -2.9848693 -0.34449141 2444.4558
18000 0.11747267 -3.0330363 0 -2.984589 -0.21439976 2444.4558
19000 0.11287946 -3.0392425 0 -2.9926895 -0.38778831 2444.4558
20000 0.10942894 -3.0360473 0 -2.9909174 -0.3375786 2444.4558
Loop time of 9.87621 on 4 procs for 20000 steps with 1724 atoms
Pair time (%) = 2.4164 (24.4668)
Neigh time (%) = 0.115138 (1.16582)
Comm time (%) = 5.67421 (57.4533)
Outpt time (%) = 0.102493 (1.03777)
Other time (%) = 1.56798 (15.8763)
Nlocal: 431 ave 494 max 376 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Nghost: 95 ave 124 max 75 min
Histogram: 1 1 0 0 1 0 0 0 0 1
Neighs: 3578.5 ave 4170 max 3130 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Total # of neighbors = 14314
Ave neighs/atom = 8.30278
Neighbor list builds = 703
Dangerous builds = 0
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