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cuteCarl新虫 (初入文坛)
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[求助]
lammps 周期边界条件为啥会原子丢失啊
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新人，金币不多，请见谅 我什么我使用了周期边界条件，还会出现院子丢失的现象啊 下面是我的in文件 echo screen dimension 3 boundary p p fm units metal atom_style atomic neighbor 2.0 bin neigh_modify every 1 delay 5 check yes region box block 0.0 100.0 0.0 25.0 0.0 200.0 create_box 2 box region wall_down block 0.0 100.0 0.0 25.0 0.0 10.0 region wall_up block 0.0 100.0 0.0 25.0 190.0 200.0 region wall_shape1 cone z 12.5 12.5 10.0 0.0 10.0 20.0 region wall_shape2 cone z 37.5 12.5 10.0 0.0 10.0 20.0 region wall_shape3 cone z 62.5 12.5 10.0 0.0 10.0 20.0 region wall_shape4 cone z 87.5 12.5 10.0 0.0 10.0 20.0 region flow block 0.0 100.0 0.0 25.0 10.0 30.0 lattice fcc 5.738 create_atoms 1 region flow lattice fcc 3.483 create_atoms 1 region wall_down create_atoms 1 region wall_up create_atoms 1 region wall_shape1 create_atoms 1 region wall_shape2 create_atoms 1 region wall_shape3 create_atoms 1 region wall_shape4 mass 1 39.948 mass 2 39.948 pair_style hybrid lj/cut 8.5 dpd/tstat 10.0 98.0 8.5 34387 pair_coeff 1 1 lj/cut 0.0103125 3.4 pair_coeff 1 2 lj/cut 0.0505 3.4 pair_coeff 2 2 lj/cut 0.00515625 3.4 pair_coeff 1 1 dpd/tstat 0.0672 8.5 comm_modify vel yes group 1 region wall_shape1 group 2 region wall_shape2 group 3 region wall_shape3 group 4 region wall_shape4 group 5 region wall_down group 5 region wall_up group wall union 1 2 3 4 5 6 group flow region flow group Ar subtract all wall set group wall type 2 velocity flow create 86 482748 mom yes rot yes fix 1 all nvt temp 10.0 98.0 0.02 compute 1 Ar chunk/atom bin/2d y lower 2 z lower 2 units box velocity wall set 0.0 0.0 0.0 fix 2 wall setforce 0.0 0.0 0.0 fix 3 flow ave/chunk 100 5 500 1 density/mass file new.profile timestep 0.005 thermo 20 thermo_style custom step temp pe press density etotal dump 1 all custom 20 new.dump id x y z run 310000 各位大佬，帮忙看一下吧 |
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2楼2020-11-27 10:23:36
cuteCarl
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新手太难了3楼2020-11-28 09:13:53
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