Hello, everyone! When I use LAMMPS to simulate tensile process in y direction, after energy minimization, NPT relaxation, although the relaxation time is long enough, why does the stress of the stress-strain curve not start from vaule of zero (greater than zero)? In the model, x and z direction is periodic boundary, y direction is anon-periodic, and velocity stretching method is adopted.
There are lots of possible reasons why a system can be trapped in a configuration where it will not become stress free.
Dear akohlmey,
If I use all tensile stresses minus the initial step stresses for correction, is it reliable?
Try asking your adviser. This is not my field of research.