Hello, everyone.
I want to simulate the interface revolution between Fe3O4 & Fe under a certain pressure(~MPa) and temperature(below 1500K). And I want to see whether oxygen atoms diffuse into the iron base. I have investigated the related literatures, and the Reaxff reactive force field may simulate the similar process (see the attach file). I know a little about this method, and want to know whether it could assist me to simulate this issue?
Thanks a lot!
Honglin Zhang