(no subject)

Dear all,

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.

Best regards,

Somaiieh Yousefi

Hi,

Using fix deform to deform the nanowire is not a good idea ...
Oscar G.

Using remap x with fix deform will only

adjust the coords of atoms in the fix group.

You could try leaving the atoms in the two
ends out of the fix group.

Steve

You stretch a nanowire. It breaks. Why is that bad?

Aidan wrote : You stretch a nanowire. It breaks. Why is that bad?

Comment : I dont know =)

Aidan wrote : You stretch a nanowire. It breaks. Why is that bad?

Comment : I dont know =)

sounds tricky. perhaps we need to ask a race of hyperintelligent
pan-dimensional beings to get time on their supercomputer in order to
figure it out. .... but we may not like the answer.

axel.