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lammps/examples/friction/log.friction.18Feb13.linux.1
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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)
1 by 1 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 = 2.06912 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921259 -1.1437867 2444.9333
1000 0.1 -3.0915465 0 -3.0503052 0.010015559 2444.9333
2000 0.1 -3.0826487 0 -3.0414074 -0.42012889 2444.9333
3000 0.089819692 -3.07584 0 -3.0387972 -0.25252108 2444.9333
4000 0.098489874 -3.0667093 0 -3.0260907 -0.25506538 2444.9333
5000 0.11379986 -3.0557087 0 -3.0087762 -0.080871179 2444.9333
6000 0.11269179 -3.04532 0 -2.9988445 -0.33381202 2444.9333
7000 0.1 -3.0380598 0 -2.9968185 -0.32423909 2444.9333
8000 0.1 -3.0346453 0 -2.993404 -0.38015347 2444.9333
9000 0.1 -3.0324305 0 -2.9911892 -0.42940009 2444.9333
10000 0.11811429 -3.0334969 0 -2.984785 -0.32538147 2444.9333
11000 0.11627653 -3.0344827 0 -2.9865288 -0.45037424 2444.9333
12000 0.11250787 -3.0472157 0 -3.000816 -0.27347069 2444.9333
13000 0.11429889 -3.0455404 0 -2.9984021 -0.28832736 2444.9333
14000 0.11292741 -3.0466673 0 -3.0000946 -0.38939496 2444.9333
15000 0.11239299 -3.0460428 0 -2.9996905 -0.35437935 2444.9333
16000 0.11775554 -3.0457709 0 -2.997207 -0.14263984 2444.9333
17000 0.11456908 -3.0459128 0 -2.998663 -0.3686153 2444.9333
18000 0.1165453 -3.0454305 0 -2.9973657 -0.3572725 2444.9333
19000 0.11403056 -3.0440495 0 -2.9970218 -0.25462158 2444.9333
20000 0.11801421 -3.0462201 0 -2.9975495 -0.23484136 2444.9333
Loop time of 5.71207 on 1 procs for 20000 steps with 1724 atoms
Pair time (%) = 4.62848 (81.0298)
Neigh time (%) = 0.305739 (5.35251)
Comm time (%) = 0.0428324 (0.749857)
Outpt time (%) = 0.000311375 (0.00545117)
Other time (%) = 0.73471 (12.8624)
Nlocal: 1724 ave 1724 max 1724 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 147 ave 147 max 147 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14384 ave 14384 max 14384 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14384
Ave neighs/atom = 8.34339
Neighbor list builds = 723
Dangerous builds = 0
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