Hello lammps users,
The tensile stress and strain mainly depend on the bond breaking distance. As per my observation from the couple of simulations of Carbon nano-tube with Tersoff and Airebo potential. I am encountering the Strain hardening problem. Its the significance of ductile material.
It purely because of Inner and Outer cutoff.
When i make inner and outer cutoff values identical its making smooth function values to 1 which is used in both Tersoff and Airebo. so because of that i am able avoid the strain hardening problem.
I have a question here whether my approach is make some sense? Please correct me if i am wrong.
I have attached four figures
fig 1: Stress Vs Strain for CNT with Airebo Rcmin_cc=1.7 and Rcmax_cc=2.0 (Default lammps potential values)
fig 2: Stress Vs Strain for CNT with Tersoff Rcmin_cc=1.8 and Rcmax_cc=2.1 (Default lammps potential values)
fig 3: Stress Vs Strain for CNT with Airebo Rcmin_cc=2.0 and Rcmax_cc=2.0
fig 4: PE Vs r for two carbon atoms with Airebo Rcmin_cc=2.0 and Rcmax_cc=2.0