Hi all,
I’m having trouble getting the right result from fix_deposit. After the atoms are deposited onto the substrate, they hardly move even with a fairly large initial speed. Both NVE and NVT have been tested and they showed the same problem. The associated commands are as follows:
units metal
region 1 prism 0.0 46.083137 0.0 46.083137 37.5 39.0 0.0 0.0 0.0 units box
…
fix 8 all deposit 50 1 1000 ${seed} region 1 vx 2.0 5.0 vy 2.0 5.0 vz -5.0 -3.0 units box
Any thoughts on how I should fix the problem? I’m simulating a Stillinger-Weber system although I don’t see the potential should play a role here.
Thanks so much!
Hi all,
I'm having trouble getting the right result from fix_deposit. After the atoms are deposited onto the substrate, they hardly move even with a fairly large initial speed. Both NVE and NVT have been tested and they showed the same problem. The associated commands are as follows:
units metal
region 1 prism 0.0 46.083137 0.0 46.083137 37.5 39.0 0.0 0.0 0.0 units box
....
fix 8 all deposit 50 1 1000 ${seed} region 1 vx 2.0 5.0 vy 2.0 5.0 vz -5.0 -3.0 units box
Any thoughts on how I should fix the problem? I'm simulating a Stillinger-Weber system although I don't see the potential should play a role here.
Thanks so much!
there is far too little detail in your question to give a qualified answer.
Axel
Assuming you are using an integrator for the same group
as fix deposit uses, then they should be integrated. Just b/c
you don't see them move much doesn't mean they aren't being
integrated. Could be due to the values of velocities or forces, etc.
Steve