Hi
Two layers of graphene (R=6nm) cover the upper surface of SiC plate(size: 6nm6nm0.6nm). Then a nanoindentation simulation using a rigid particle is performed
and the results are normal. But when I perform a high-speed impact using the same rigid particle, the model appears to disintegrate(explosion) leading to an
unexpected result. Originally, before the simulation I was pretty sure there would be no mistakes. Because the potential functions adopted for the graphene and SiC has
been generally accepted by many researchers. And I have done the similar simulation in the past. To analyse the question, I tried to perform the high-speed impact for
graphene and SiC respectively, and no disintegration occurred. I’d like to have your advice.
Best wishes.
############### Here is my script #################################
units metal
dimension 3
boundary p p p
atom_style bond
neighbor 3.0 bin
read_data plate.data
SiC: 1=Si, 2=C two layers of graphene: 3=C, 4=C Diamond bullet: 5=C
pair_style hybrid/overlay airebo tersoff lj/cut 6 lj/cut 6
pair_coeff * * tersoff SiC.tersoff Si C NULL NULL NULL
pair_coeff * * airebo CH.airebo NULL NULL C C NULL
pair_coeff 12 34 lj/cut 1 0.002 3.0 #interaction between SiC and graphene
pair_coeff 1*4 5 lj/cut 2 0.002 3.0
pair_coeff 5 5 none
mass 1 28.085 #Si
mass 2 12.01 #C
mass 3 12.01 #C
mass 4 12.01 #C
mass 5 12.01 #C