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Berryfoss

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[½»Á÷] ¡¾ÇóÖú¡¿Lammps ÖмÓÍâÁ¦µÄÎÊÌâ ÒÑÓÐ1È˲ÎÓë

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units                        metal
boundary                p p s
atom_style                atomic
neighbor        2 bin
neigh_modify        every 5 delay 0 check yes

#create geometry
lattice         fcc 3.61
region L block 0 40 0 20 0 20 units lattice
lattice  fcc 3.52
region R block 42 80 0 20 0 20 units lattice
region W block 0 80 0 20 0 20 units lattice
create_box 2 W
create_atoms 1 region L
create_atoms 2 region R
mass 1 63.546
mass 2 58.7

# potentials
pair_style        eam/alloy
pair_coeff        * * /home/foss/Applications/lammps-16Sep10/examples/CuNi/CuNi_Zhou.eam.alloy Cu Ni

#define groups
group a region L
group b region R
group c region W
region  3  block 77 80 0 20 0 20
group right region 3

#minimize
#min_style sd
#minimize 1.0e-12 1.0e-12 10000 10000

velocity c create 1000.0 4928459 rot yes dist gaussian

#initialize
fix 1 c nvt temp 1000.0 1000.0 0.05
fix 2 a addforce 3.1e5 0 0 region L
fix 3 right setforce 0.0 0.0 0.0

#dump
dump 1 c xyz 10 dump.nicu
timestep 0.002
thermo 10
run 10000
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