I want to simulate the uniaxial tension test in a nonowire by using molecular statics. The nanowire are subject to tension in x direction.
If boundary condition is p s s, then I can use the command displace_box to simulate the problem. However, I can not use that command if
boundary condition is s s s. I want to fix the nanowire at one end layer, then, moving atoms at the other layer along x direction. After each
increment the potential energy of the system is minimized to obtain the equilibrium state. Could you give any comments?
Thank you very much.