I want to simulate metal iron particles (Fe) on alumina ceramic(Al2O3) substrate. Is there any suitable force field for that system?
Your best chance to get an answer to this kind of question is to search the published literature or databases with potential files. The probability that a person here is working on the exact same area of research as you and is willing to share any findings is close to zero.
Dear sir,
When I use eam ffeilds (Fe) with reaxff feilds(Al2O3), is there need to convert metal unit to real unit?.
It is a very bad idea to combine those two.
P.S.: please note your spelling: field vs feild
ok sir. Why did you say “It’s a very bad idea to combine the two” sir. I want to know what is the reason?
It is because of how both, EAM and ReaxFF, function, and how they don’t couple well together.
I have discussed the details of what is missing when using manybody potentials and specifically EAM and ReaxFF in hybrid potential setups many times before. You can find those comments in the forum archives.
Ok sir,
Thank You