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lammps/examples/friction/log.friction.5Oct07.linux.4
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LAMMPS (5 Oct 2007)
# 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 = 1.34804 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 0.1 -3.1333672 0 -3.0921549 -1.1440307 2444.4558
1000 0.08936608 -3.060858 0 -3.0240282 0.015747058 2444.4558
2000 0.087353242 -3.0615115 0 -3.0255112 -0.49966222 2444.4558
3000 0.097185838 -3.0626106 0 -3.0225581 -0.084736345 2444.4558
4000 0.10514697 -3.0540883 0 -3.0107549 -0.34379432 2444.4558
5000 0.10965701 -3.0502726 0 -3.0050804 0.13242136 2444.4558
6000 0.1142368 -3.0461587 0 -2.9990791 -0.23407787 2444.4558
7000 0.1 -3.038824 0 -2.9976117 -0.3283908 2444.4558
8000 0.11116944 -3.0485104 0 -3.0026949 -0.42926135 2444.4558
9000 0.11429391 -3.0445555 0 -2.9974523 -0.39751757 2444.4558
10000 0.10617044 -3.050964 0 -3.0072087 -0.4320286 2444.4558
11000 0.10925063 -3.0492538 0 -3.0042291 -0.39877306 2444.4558
12000 0.11491574 -3.0511726 0 -3.0038132 -0.24990158 2444.4558
13000 0.10704872 -3.0467833 0 -3.0026661 -0.4272322 2444.4558
14000 0.10931685 -3.0488184 0 -3.0037664 -0.23385297 2444.4558
15000 0.103619 -3.0474073 0 -3.0047036 -0.39914954 2444.4558
16000 0.11669382 -3.0538214 0 -3.0057292 -0.29282079 2444.4558
17000 0.10983692 -3.0489199 0 -3.0036536 -0.30423885 2444.4558
18000 0.11157946 -3.0516854 0 -3.005701 -0.3165345 2444.4558
19000 0.11408792 -3.0522616 0 -3.0052433 -0.39019198 2444.4558
20000 0.10714842 -3.0629068 0 -3.0187485 -0.2392859 2444.4558
Loop time of 10.3142 on 4 procs for 20000 steps with 1724 atoms
Pair time (%) = 2.46177 (23.8678)
Neigh time (%) = 0.124136 (1.20355)
Comm time (%) = 6.03646 (58.5258)
Outpt time (%) = 0.108821 (1.05506)
Other time (%) = 1.58299 (15.3477)
Nlocal: 431 ave 483 max 383 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Nghost: 100 ave 118 max 84 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs: 3600.5 ave 4171 max 3180 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 14402
Ave neighs/atom = 8.35383
Neighbor list builds = 724
Dangerous builds = 0
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