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li_xue_songгæ (СÓÐÃûÆø)
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1£¬Ð»Ð»ÄúÀ´½â¾öÎÊÌ⣡ 2£¬ÎÊÌ⣺½¨Á¢Á˺¬ÁÑÎÆÂÁÄ£ÐÍ£¬y·½ÏòÉÏÉèÖÃËÙ¶È£¬µ«ÊÇÀÉìµÄʱºòÀ²»¿ªÊÇʲôÔÒò£¿ 3£¬inÎļþÈçÏÂËùʾ£º ## fourth simulation ## units metal boundary p s p dimension 3 lattice fcc 4.0503 region box block 0 20 0 20 0 2 create_box 1 box create_atoms 1 box neighbor 1.5 bin neigh_modify every 2 delay 10 region upper block INF INF 18 INF INF INF group upper region upper region lower block INF INF INF 2 INF INF group lower region lower group boundary union upper lower group mobile subtract all boundary pair_style eam/fs pair_coeff * * Al_mm.eam.fs Al mass * 26.981 fix 1 all nve velocity all create 300 12345 rot yes #velocity all scale 300 reset_timestep 0 timestep 0.01 thermo 100 thermo_style custom step temp pe ke press dump 1 all atom 50 dump.xue4_1 log log.xue4_1 run 500 reset_timestep 0 region crack block INF 5 9 11 INF INF group crack region crack delete_atoms group crack #fix 2 lower setforce 0 0 0 velocity upper set 0 1 0 velocity lower set 0 -1 0 #velocity mobile ramp vy -1 1 y 2 18 sum yes variable strain equal (ly-81)/81 thermo_style custom step temp pe ke ly pxx pyy pzz v_strain dump 2 all atom 100 dump.xue4_2 log log.xue4_2 #if "$(temp)>1000" then quit run 5000 |
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