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lammps/examples/friction/log.friction.1Oct06.liberty.4
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LAMMPS (1 Oct 2006)
# 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
region box block 0 50 0 22 -0.25 0.25
create_box 4 box
Created 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 lo-slab
Created 750 atoms
create_atoms 1 hi-slab
Created 750 atoms
create_atoms 2 lo-half-sphere
Created 112 atoms
create_atoms 3 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 lo-fixed atom 4
150 settings made
set hi-fixed atom 4
150 settings made
# initial velocities
temperature new mobile 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 100 dump.friction
run 20000
Memory usage per processor = 1.4603 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921549 -1.3466755 1384.4128
1000 0.08936608 -3.060858 0 -3.0240282 0.018536372 1384.4128
2000 0.087353242 -3.0615115 0 -3.0255112 -0.58816858 1384.4128
3000 0.097185838 -3.0626106 0 -3.0225581 -0.099745896 1384.4128
4000 0.10514697 -3.0540883 0 -3.0107549 -0.40469143 1384.4128
5000 0.10965701 -3.0502726 0 -3.0050804 0.15587748 1384.4128
6000 0.1142368 -3.0461587 0 -2.9990791 -0.27554064 1384.4128
7000 0.1 -3.038824 0 -2.9976117 -0.38655949 1384.4128
8000 0.11116929 -3.0485103 0 -3.0026949 -0.50529564 1384.4128
9000 0.11426746 -3.044549 0 -2.9974568 -0.4678125 1384.4128
10000 0.10652378 -3.0503221 0 -3.0064212 -0.52457375 1384.4128
11000 0.1102547 -3.0498241 0 -3.0043856 -0.45053087 1384.4128
12000 0.11548097 -3.0510641 0 -3.0034718 -0.27052982 1384.4128
13000 0.10919538 -3.0438158 0 -2.9988139 -0.53868739 1384.4128
14000 0.10742456 -3.045668 0 -3.0013959 -0.25306386 1384.4128
15000 0.10795006 -3.0436862 0 -2.9991975 -0.44644395 1384.4128
16000 0.11271512 -3.0478462 0 -3.0013937 -0.28516203 1384.4128
17000 0.11209577 -3.0497319 0 -3.0035347 -0.39432942 1384.4128
18000 0.1 -3.050733 0 -3.0095207 -0.34607727 1384.4128
19000 0.092061676 -3.048521 0 -3.0105803 -0.37268438 1384.4128
20000 0.10666663 -3.0598394 0 -3.0158797 -0.33025583 1384.4128
Loop time of 8.99743 on 4 procs for 20000 steps with 1724 atoms
Pair time (%) = 3.6897 (41.0084)
Neigh time (%) = 0.202473 (2.25034)
Comm time (%) = 3.18145 (35.3595)
Outpt time (%) = 0.579402 (6.43964)
Other time (%) = 1.3444 (14.9421)
Nlocal: 431 ave 484 max 381 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Nghost: 100.5 ave 119 max 87 min
Histogram: 1 0 0 2 0 0 0 0 0 1
Neighs: 3597.5 ave 4163 max 3176 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 14390
Ave neighs/atom = 8.34687
Neighbor list builds = 720
Dangerous builds = 0
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