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# 3d Morse crack simulation units metal boundary s s p atom_style atomic # 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 1.0 mass 2 1.0 mass 3 1.0 mass 4 1.0 mass 5 1.0 # Morse potentials pair_style morse 2.5 pair_coeff * * 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify every 5 delay 0 check yes # 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 group halfupper1 region halfupper1 group halfupper2 region halfupper2 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 # ÄÜÁ¿×îС»¯ min_style sd minimize 1.0e-12 1.0e-12 10000 10000 # initial velocities ³ÚÔ¥ compute new mobile temp velocity mobile create 0.001 887723 temp new timestep 0.001 thermo 200 run 10000 velocity upper set 0.0 0.01 0.0 velocity lower set 0.0 -0.01 0.0 velocity mobile ramp vy 0.01 0.01 y 20 38 sum yes # fixes fix 1 all nve fix 2 lower setforce 0.0 NULL 0.0 fix 3 upper setforce 0.0 NULL 0.0 # run thermo 200 thermo_modify temp new dump 1 all atom 1000 dump.crack.lammpstrj run 300000 |
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zh1987hs: ½ð±Ò+3, лл 2012-10-01 11:02:11
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# 3d Morse crack simulation units metal boundary s s p atom_style atomic # 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 1.0 mass 2 1.0 mass 3 1.0 mass 4 1.0 mass 5 1.0 # Morse potentials pair_style morse 2.5 pair_coeff * * 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify every 5 delay 0 check yes # 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 group halfupper1 region halfupper1 group halfupper2 region halfupper2 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 # ÄÜÁ¿×îС»¯ min_style sd minimize 1.0e-12 1.0e-12 10000 10000 # initial velocities ³ÚÔ¥ compute new mobile temp velocity mobile create 0.001 887723 temp new timestep 0.001 thermo 200 run 10000 velocity upper set 0.0 0.01 0.0 velocity lower set 0.0 -0.01 0.0 velocity mobile ramp vy 0.01 0.01 y 20 38 sum yes # fixes fix 1 all nve fix 2 lower setforce 0.0 NULL 0.0 fix 3 upper setforce 0.0 NULL 0.0 # run thermo 200 thermo_modify temp new dump 1 all atom 1000 dump.crack.lammpstrj run 300000 |
6Â¥2012-09-29 11:51:41
7Â¥2012-10-05 10:37:35
8Â¥2014-11-12 14:07:34
9Â¥2014-11-12 15:17:47
10Â¥2015-04-01 23:46:19
11Â¥2018-10-19 16:21:54
12Â¥2018-10-19 16:22:39
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