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huang998

木虫 (小有名气)

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注册: 2017-02-25
专业: 制造系统与自动化

[求助] 做裂纹扩展模拟，拉到后面拉不开，裂纹不能深入下去，是什么原因？in文件如下。已有1人参与

# 3d crack simulation

units metal
boundary s s p

atom_style atomic
neighbor 2.0 bin
neigh_modify delay 5

# create geometry

lattice hcp 3.206
region box block 0 50 0 40 -2 2
create_box 5 box
create_atoms 1 box

mass 1 24.30
mass 2 24.30
mass 3 24.30
mass 4 24.30
mass 5 24.30

# potentials

pair_style eam/fs
pair_coeff * * Mg_mm.eam.fs Mg Mg Mg Mg Mg

# define groups

region 1 block INF INF INF 5 INF INF
group lower region 1
region 2 block INF INF 35 INF INF INF
group upper region 2
group boundary union lower upper
group mobile subtract all boundary

region leftupper block INF 10 20 INF INF INF
region leftlower block INF 10 INF 20 INF INF
group leftupper region leftupper
group leftlower region leftlower

set group leftupper type 2
set group leftlower type 3
set group lower type 4
set group upper type 5

# initial velocities

compute new mobile temp
velocity mobile create 300.0 887723 temp new
fix 3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
fix 1 all nve
fix 2 boundary setforce NULL 0.0 0.0

timestep 0.001
thermo 1000
thermo_modify temp new

neigh_modify exclude type 2 3

velocity upper set 0.0 0.5 0.0
velocity mobile ramp vy 0.0 0.5 y 5 35 sum yes

dump 1 all atom 500 dump.crack

run 30000

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