Manipulation of surface energy anisotropy in iron using surface segregation of phosphorus: An atomistic simulation

The possibility of developing a {1 0 0}〈0 0 1〉 cube texture in steel sheets by altering the surface energy by phosphorus segregation has been investigated using atomistic Monte Carlo simulations. It is found that the change in order in the amount of surface energy, from (1 1 0) < (1 0 0) < (1 1 1) to (1 0 0) < (1 1 1) < (1 1 0) surfaces, originates from the anisotropy in the amount of phosphorus segregation. Experimental evidence that supports the theoretical prediction is also demonstrated.