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.