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lammps/bench/POTENTIALS/log.26Jun12.peri.1
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LAMMPS (29 Jun 2012)
# Crack growth in notched 3D Peridynamic block
# Mesh spacing
variable h equal 5.00e-4
# Peridynamic horizon
variable delta equal 3.0*${h}
variable delta equal 3.0*0.00050000000000000001041
# Height of plate (meters)
variable height equal 31.5*${h}
variable height equal 31.5*0.00050000000000000001041
# Width of plate (meters)
variable width equal 39.5*${h}
variable width equal 39.5*0.00050000000000000001041
# Thickness of plate (meters)
variable depth equal 24.5*${h}
variable depth equal 24.5*0.00050000000000000001041
# Height of notch
variable crackheight equal 10*${h}
variable crackheight equal 10*0.00050000000000000001041
# Density of plate
variable mydensity equal 2440.0
# Elastic modulus of material
variable myE equal 72.0e9
# Strain energy release rate at branching
variable myG equal 135.0
# constant, but define it as a variable here
variable pi equal 3.14159265358979323846
units si
boundary s s s
atom_style peri
atom_modify map array
variable myskin equal 2.0*${h}
variable myskin equal 2.0*0.00050000000000000001041
neighbor ${myskin} bin
neighbor 0.0010000000000000000208 bin
lattice sc $h
lattice sc 0.00050000000000000001041
Lattice spacing in x,y,z = 0.0005 0.0005 0.0005
variable myxmin equal 0.0
variable myxmax equal ${width}
variable myxmax equal 0.019750000000000000194
variable myymin equal 0.0
variable myymax equal ${height}
variable myymax equal 0.015750000000000000111
variable myzmin equal 0.0
variable myzmax equal ${depth}
variable myzmax equal 0.012250000000000000472
region plate block ${myxmin} ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} units box
region plate block 0 ${myxmax} ${myymin} ${myymax} ${myzmin} ${myzmax} units box
region plate block 0 0.019750000000000000194 ${myymin} ${myymax} ${myzmin} ${myzmax} units box
region plate block 0 0.019750000000000000194 0 ${myymax} ${myzmin} ${myzmax} units box
region plate block 0 0.019750000000000000194 0 0.015750000000000000111 ${myzmin} ${myzmax} units box
region plate block 0 0.019750000000000000194 0 0.015750000000000000111 0 ${myzmax} units box
region plate block 0 0.019750000000000000194 0 0.015750000000000000111 0 0.012250000000000000472 units box
create_box 3 plate
Created orthogonal box = (0 0 0) to (0.01975 0.01575 0.01225)
1 by 1 by 1 MPI processor grid
create_atoms 1 region plate
Created 32000 atoms
pair_style peri/pmb
variable myk equal (2.0/3.0)*${myE}
variable myk equal (2.0/3.0)*72000000000
variable myc equal ((18.0*${myk})/(${pi}*(${delta}^4)))
variable myc equal ((18.0*48000000000)/(${pi}*(${delta}^4)))
variable myc equal ((18.0*48000000000)/(3.141592653589793116*(${delta}^4)))
variable myc equal ((18.0*48000000000)/(3.141592653589793116*(0.0015000000000000000312^4)))
variable mydelta equal (${delta}+(${delta}/100.0))
variable mydelta equal (0.0015000000000000000312+(${delta}/100.0))
variable mydelta equal (0.0015000000000000000312+(0.0015000000000000000312/100.0))
variable mys0 equal sqrt((5.0*${myG})/(9.0*${myk}*${delta}))
variable mys0 equal sqrt((5.0*135)/(9.0*${myk}*${delta}))
variable mys0 equal sqrt((5.0*135)/(9.0*48000000000*${delta}))
variable mys0 equal sqrt((5.0*135)/(9.0*48000000000*0.0015000000000000000312))
variable tmpvar1 equal ${myymax}-${crackheight}
variable tmpvar1 equal 0.015750000000000000111-${crackheight}
variable tmpvar1 equal 0.015750000000000000111-0.0050000000000000001041
variable tmpvar2 equal 0.5*${width}
variable tmpvar2 equal 0.5*0.019750000000000000194
region topleft block 0.0 ${tmpvar2} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
region topleft block 0.0 0.0098750000000000000971 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
region topleft block 0.0 0.0098750000000000000971 0.01074999999999999914 ${myymax} ${myzmin} ${myzmax} units box
region topleft block 0.0 0.0098750000000000000971 0.01074999999999999914 0.015750000000000000111 ${myzmin} ${myzmax} units box
region topleft block 0.0 0.0098750000000000000971 0.01074999999999999914 0.015750000000000000111 0 ${myzmax} units box
region topleft block 0.0 0.0098750000000000000971 0.01074999999999999914 0.015750000000000000111 0 0.012250000000000000472 units box
region topright block ${tmpvar2} ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
region topright block 0.0098750000000000000971 ${myxmax} ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
region topright block 0.0098750000000000000971 0.019750000000000000194 ${tmpvar1} ${myymax} ${myzmin} ${myzmax} units box
region topright block 0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 ${myymax} ${myzmin} ${myzmax} units box
region topright block 0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 0.015750000000000000111 ${myzmin} ${myzmax} units box
region topright block 0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 0.015750000000000000111 0 ${myzmax} units box
region topright block 0.0098750000000000000971 0.019750000000000000194 0.01074999999999999914 0.015750000000000000111 0 0.012250000000000000472 units box
set region topleft type 2
5000 settings made for type
set region topright type 3
5000 settings made for type
pair_coeff 1 1 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff 1 1 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff 1 1 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff 1 1 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff 2 2 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff 2 2 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff 2 2 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff 2 2 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff 3 3 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff 3 3 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff 3 3 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff 3 3 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff 2 3 ${myc} 0.0 ${mys0} 0.0
pair_coeff 2 3 5.4324887242033602757e+22 0.0 ${mys0} 0.0
pair_coeff 2 3 5.4324887242033602757e+22 0.0 0.0010206207261596576558 0.0
pair_coeff 1 2 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff 1 2 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff 1 2 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff 1 2 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
pair_coeff 1 3 ${myc} ${mydelta} ${mys0} 0.0
pair_coeff 1 3 5.4324887242033602757e+22 ${mydelta} ${mys0} 0.0
pair_coeff 1 3 5.4324887242033602757e+22 0.0015150000000000000706 ${mys0} 0.0
pair_coeff 1 3 5.4324887242033602757e+22 0.0015150000000000000706 0.0010206207261596576558 0.0
set group all density ${mydensity}
set group all density 2440
32000 settings made for density
variable myvolume equal ($h)^3
variable myvolume equal (0.00050000000000000001041)^3
set group all volume ${myvolume}
set group all volume 1.2500000000000000779e-10
32000 settings made for volume
velocity all set 0.0 0.0 0.0 sum no units box
fix F1 all nve
compute C1 all damage/atom
velocity all ramp vx -10.0 10.0 x ${myxmin} ${myxmax} units box
velocity all ramp vx -10.0 10.0 x 0 ${myxmax} units box
velocity all ramp vx -10.0 10.0 x 0 0.019750000000000000194 units box
variable mystep equal 0.8*sqrt((2.0*${mydensity})/(512*(${myc}/$h)*${myvolume}))
variable mystep equal 0.8*sqrt((2.0*2440)/(512*(${myc}/$h)*${myvolume}))
variable mystep equal 0.8*sqrt((2.0*2440)/(512*(5.4324887242033602757e+22/$h)*${myvolume}))
variable mystep equal 0.8*sqrt((2.0*2440)/(512*(5.4324887242033602757e+22/0.00050000000000000001041)*${myvolume}))
variable mystep equal 0.8*sqrt((2.0*2440)/(512*(5.4324887242033602757e+22/0.00050000000000000001041)*1.2500000000000000779e-10))
timestep ${mystep}
timestep 2.1193149239622597698e-08
thermo 20
run 100
Peridynamic bonds:
total # of bonds = 3457032
bonds/atom = 108.032
Memory usage per processor = 145.482 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 2.0134233e+27 0 0 1.3342785e+09 2.4509971e+14 3.6292128e-06
20 1.7695805e+27 1.6163291e+08 0 1.3343188e+09 2.1541601e+14 3.6292128e-06
40 1.3041477e+27 4.6848143e+08 0 1.332729e+09 1.5875756e+14 3.6292128e-06
60 9.8975313e+26 5.7284448e+08 0 1.2287455e+09 1.2048543e+14 3.6292128e-06
80 9.3888573e+26 4.0928092e+08 0 1.0314725e+09 1.1429321e+14 3.6292128e-06
100 8.3930314e+26 3.8522361e+08 0 9.4142265e+08 1.0217075e+14 3.6292128e-06
Loop time of 23.8636 on 1 procs for 100 steps with 32000 atoms
Pair time (%) = 23.7778 (99.6409)
Neigh time (%) = 0 (0)
Comm time (%) = 9.84669e-05 (0.000412625)
Outpt time (%) = 0.000550747 (0.0023079)
Other time (%) = 0.0850549 (0.356422)
Nlocal: 32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 6.74442e+06 ave 6.74442e+06 max 6.74442e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 1.34888e+07 ave 1.34888e+07 max 1.34888e+07 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13488836
Ave neighs/atom = 421.526
Neighbor list builds = 0
Dangerous builds = 0
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