Dear LAMMPS users,
I am trying to simulate the uniaxial tensile loading on a cupper nanowire. My problem is with the relaxation process of the nano wire. When I use Cu-u6 potential, it does the relaxation well. But since I want to work with mishin potential, when I change the potential to Cu-mishin1.eam.alloy or even CuNiH.eam the nano wire cannot undergo the relaxation completely.
Could anybody tell me what the problem is?
I have attached the relaxation part of my code in the following. Please let me know if you need further information.
Thank you very much
Niaz Abdolrahim
pair_style eam/alloy
pair_coeff * * Cu_mishin1.eam.alloy Cu
compute new3d mobile temp
equilibrate
velocity mobile create 200.0 5812775 temp new3d
fix 1 all nve
fix 2 lower setforce 0.0 0.0 0.0
fix 3 mobile temp/rescale 10 200.0 200.0 10.0 1.0
fix_modify 3 temp new3d
thermo 2500
thermo_style custom step press temp lx ly lz
thermo_modify temp new3d
run 100000