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in 文件,裂紋拉不開.求助深入解讀。 已有1人參與
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# 3d Morse crack simulation units metal boundary p p p atom_style atomic neighbor 0.3 bin neigh_modify every 5 delay 0 check yes # create geometry lattice fcc 4.05 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1 region box block 0 60 0 40 -0.25 0.25 create_box 5 box create_atoms 1 box mass 1 26.9 mass 2 26.9 mass 3 26.9 mass 4 26.9 mass 5 26.9 # Morse potentials pair_style morse 2.5 pair_coeff * * 1.0 1.0 2.5 # define groups region 1 block INF INF INF 2 INF INF group lower region 1 region 2 block INF INF 38 INF INF INF group upper region 2 group boundary union lower upper group mobile subtract all boundary region leftupper block INF 20 20 INF INF INF region leftlower block INF 20 INF 20 INF INF region bonds block INF 20 19.75 20.25 -0.25 0.25 delete_atoms region bonds group leftupper region leftupper group leftlower region leftlower set group leftupper type 3 set group leftlower type 4 set group lower type 1 set group upper type 2 neigh_modify exclude type 3 4 neigh_modify exclude type 1 2 # minimize min_style sd minimize 1.0e-12 1.0e-12 10000 10000 # initial velocities relax compute new mobile temp velocity mobile create 750.0 887723 temp new timestep 0.001 thermo 500 run 10000 velocity upper set 0.0 0.04 0.0 sum yes velocity lower set 0.0 0.0 0.0 sum yes velocity mobile ramp vy 0.0 0.04 y 2 38 sum yes # fixes fix 1 lower setforce 0.0 0.0 0.0 fix 2 upper setforce 0.0 0.0 0.0 fix 3 all nvt 750.0 750.0 0.01 fix 4 all temp/rescale 100 750.0 750.0 3 0.01 fix 5 mobile deform 1000 y erate 0.003 units box fix 6 mobile setforce 0.0 NULL 0.0 compute 1 all stress/atom compute 2 all temp compute 3 all reduce sum c_1[2] compute 4 all pe compute 5 all ke variable 2 equal c_3 variable 3 equal c_2 variable 4 equal c_4 variable 5 equal c_5 fix 7 all ave/time 1 100 1000 v_2 v_3 v_4 v_5 file a_stress.txt thermo_style custom step temp pe etotal press vol thermo 200 thermo_modify temp new dump 1 all atom 1000 dump.crack.lammpstrj min_style sd minimize 1.0e-12 1.0e-12 10000 10000 run 200000 |
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