I’ve been going through the LAMMPS manual and previous mail threads, but I cannot seem to find a solution to my problem.
I’m simulating a side crack in aluminum in LAMMPS. To model the crack, I’ve deleted interactions across the crack plane by using a neigh_modify exclude command. This works at low temperature. However, when I increase the temperature to 300 K, it seems that atoms across the crack plane start bumping into each other, as if they do not see each other. I’ve tried to find a way of keeping repulsive interactions while excluding attractive interactions, but it seems that the pair potential I’m using, which is an Angular Dependent Potential (ADP; it’s an extension of the EAM), does not allow this. Have any of you encountered a similar problem before, and if so, how did you go about solving it?
Thank you very much,