I want to apply tensile load on the nanowire and I have used the command “fix deform” to apply a strain rate to the nanowire and also “variable…” to caculate the stress and strain. I have done the simulation successfully and extract the results. The problem is that in high templ eratures like 400 and 500 K, the deformation of nanowire changes. In the way that the whole nanowire deforms. It seems that no fix point is set to stretching the nanowire. The two ends deformed unexpectedly.
I look for a way to fix the two layers in the end so that they don’t deform while tension. I would be so thankful if you help me handle this problem.
Thanks indeed in advanced. Looking forward to hearing from you.
P. S. The simulation was run without any problem using lammps version 2010.