Hi,

I try to simulate the irradiation, but there is sth wrong with the velocity, the details please below,

read_data data.Al2O3

region 1 block INF INF INF 22 INF INF units box

region 2 block INF INF 175 INF INF INF units box

region 3 block INF 22 22 175 INF INF units box

region 4 block 177 INF 22 175 INF INF units box

region boundary union 4 1 2 3 4

group boundary region boundary

group id id 260484

pair_style vashishta

pair_coeff * * Al2O3.vashishta O Al

timestep 0.001

velocity id set 0 0 -1890 sum yes units box

fix 11 boundary nvt temp 1 1 1 drag 1

run 200000

The atom id 260484 is one atom in the surface centre, and i want to give this atom velocity use the common “velocity id set 0 0 -1890 sum yes units box”, but i find that there is no speed toward this atom, so could you please help me find the reason? Thanks for your help.

Hi,

I try to simulate the irradiation, but there is sth wrong with the

velocity, the details please below,

read_data data.Al2O3

region 1 block INF INF INF 22 INF INF units box

region 2 block INF INF 175 INF INF INF units box

region 3 block INF 22 22 175 INF INF units box

region 4 block 177 INF 22 175 INF INF units box

region boundary union 4 1 2 3 4

group boundary region boundary

group id id 260484

pair_style vashishta

pair_coeff * * Al2O3.vashishta O Al

timestep 0.001

velocity id set 0 0 -1890 sum yes units box

fix 11 boundary nvt temp 1 1 1 drag 1

run 200000

The atom id 260484 is one atom in the surface centre, and i want to give

this atom velocity use the common "velocity id set 0 0 -1890 sum yes units

box", but i find that there is no speed toward this atom, so could you

please help me find the reason? Thanks for your help.

sounds like you do not apply time integration to the atom where you add

the velocity.

axel.