Hi everyone,
I'm now simulating tensile process for a mixture consisting of 100 molecule A, 200 molecule B and 300 molecule C. The mixture cell is built in Amorphous cell modulus. The tensile will be performed by applying a series of strains on the cell along a certain direction.
Before applying strain, I perform geometry optimization and a long time dynamics simulation in Forcite modulus to equilibrate the system. I had thought that the system stresses in different directions after equilibration would be zero since no strain has been applied on the cell yet. But the fact is not. I'm wondering why this happens and don't know how to make system stresses after equilibration zero.
Can anyone help me? Thanks in advance.