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