level 1
风花雪月℉
楼主
units metal
boundary p p p
atom_style atomic
lattice fcc 3.61
region wor block 0 50 0 10 0 50
region box block 0 50 -10 50 0 50
create_box 1 box
create_atoms 1 region wor
pair_style eam
pair_coeff* * Cu_u3.eam
run 0
neighbor 0.5 bin
neigh_modify every 5 delay 0 check yes
regionhot block 24 26 9 10 24 26 units box
grouphot region hot
thermo100
timestep 0.005
compute 110 all ke/atom
dump 200 all custom 10 dump.po xs ys zs c_110
fix 40 all nve
run 1000
fix 30 hot temp/rescale 10 300 1000 0.05 0.5
run 10000
目的是想在这个Cu片中间加热,观察热的传递,是不是看原子的动能/震动就好了?
还有fix temp/rescle 后两个参数应该怎么理解呀 谢啦
2018年03月10日 08点03分
1
boundary p p p
atom_style atomic
lattice fcc 3.61
region wor block 0 50 0 10 0 50
region box block 0 50 -10 50 0 50
create_box 1 box
create_atoms 1 region wor
pair_style eam
pair_coeff* * Cu_u3.eam
run 0
neighbor 0.5 bin
neigh_modify every 5 delay 0 check yes
regionhot block 24 26 9 10 24 26 units box
grouphot region hot
thermo100
timestep 0.005
compute 110 all ke/atom
dump 200 all custom 10 dump.po xs ys zs c_110
fix 40 all nve
run 1000
fix 30 hot temp/rescale 10 300 1000 0.05 0.5
run 10000
目的是想在这个Cu片中间加热,观察热的传递,是不是看原子的动能/震动就好了?
还有fix temp/rescle 后两个参数应该怎么理解呀 谢啦
