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[求助] 关于lammps里examples的问题（shear）已有1人参与

各位大神，希望能指点一下。
在equilibrate之前，lower与upper的温度并没有设定，只是设定了mobile的温度，请问那其余两组原子的初速度怎样？还有就是原子的质量好像没有给啊，不用给定吗？
以下是shear的程序：
# 3d metal shear simulation

units metal

boundary s s p

atom_style atomic

lattice fcc 3.52

region box block 0 16.0 0 10.0 0 2.828427

create_box 3 box

lattice fcc 3.52 orient x 1 0 0 orient y 0 1 1 orient z 0 -1 1
&
origin 0.5 0 0

create_atoms 1 box

pair_style eam

pair_coeff * * Ni_u3.eam

neighbor 0.3 bin

neigh_modify delay 5

region lower block INF INF INF 0.9 INF INF

region upper block INF INF 6.1 INF INF INF

group lower region lower

group upper region upper

group boundary union lower upper

group mobile subtract all boundary

set group lower type 2

set group upper type 3

# void

#region void cylinder z 8 5 2.5 INF INF

#delete_atoms region void

# temp controllers

compute new3d mobile temp

compute new2d mobile temp/partial 0 1 1

# equilibrate

velocity mobile create 300.0 5812775 temp new3d

fix 1 all nve

fix 2 boundary setforce 0.0 0.0 0.0

fix 3 mobile temp/rescale 10 300.0 300.0 10.0 1.0

fix_modify 3 temp new3d

thermo 25

thermo_modify temp new3d

timestep 0.001

run 100

# shear

velocity upper set 1.0 0 0

velocity mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes

unfix 3

fix 3 mobile temp/rescale 10 300.0 300.0 10.0 1.0

fix_modify 3 temp new2d

#dump 1 all atom 100 dump.shear

#dump 2 all image 100 image.*.jpg type type &

# axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0

#dump_modify 2 pad 4

#dump 3 all movie 100 movie.mpg type type &

# axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0

#dump_modify 3 pad 4

thermo 100

thermo_modify temp new2d

reset_timestep 0

run 3000

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