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新虫 (初入文坛)

[求助] 求教焊料润湿问题

in文件附上,请问为什么模拟之后Sn会充满整个box,而不是产生润湿的效果?
求大神赐教!
units        metal
dimension    3
boundary     p p f
atom_style   atomic  
read_data Sn_Cu_weldball.data
group  Cu type 1
group  Sn type 2
pair_style        meam pair_coeff        * * library.meam Cu Sn CuSn.meam Cu Sn  
neighbor        2.0 bin
neigh_modify        every 10  
timestep        0.002     #picoseconds

velocity Sn create 500 4928459 dist gaussian
velocity Cu set 0.0 0.0 0.0

fix 11 Sn nvt temp 500 500 250 drag 0.2
fix 12 Cu nvt temp 500 500 250 drag 0.2
fix 13 Cu setforce 0.0 0.0 0.0
fix 14 Sn wall/reflect zhi EDGE
dump           7 Sn custom 5000 Sn500.lammpstrj id type xs ys zs  
dump           8 Cu custom 5000 Cu500.lammpstrj id type xs ys zs  
dump           9 all custom 5000 box500.lammpstrj id type xs ys zs  
run            10000  
write_restart  weldball$x.restart
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6嘟啦嘟啦

新虫 (初入文坛)

你好,能分享一下您的势函数么?

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2楼2021-10-29 20:13:39
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