AO attack polyimide movie

Dear Lammps users and developers,

I’m Gang Lv(吕刚), a doctor candidate in Institute of Optics and Electronics, Chinese Academy of Sciences,People’s Republic of China.

Actually, I’m new in this field and presently using a simulation package (LAMMPS),instead of AFD. I want to follow professor Zeng(哈工大曾凡林

)and professor van Duin’s work(

), however my reax force field parameters(“ffield.reax” file) may do not match with my “in” file and “data “file, since the polyimide disintegrates first before atomic oxygen arrives,as the attachment picture shows. How can I modify“ffield.reax” file to make it appropriate for my “in” file and “data “file or Can anyone share your“ffield.reax” file including C H O N Si ,like professor van Duin’s material model.

Best regards,


AO attack polyimide movie.jpg

ffield.reax (19.4 KB)

ReaxFF parameter files are available from Adri’s website - see
the pair reax doc page for a link to it.