Ordering in Highly Supersaturated Alpha-Fe-C
Molecular dynamics and molecular statics have been used to explore the transition between the partially Zener ordered state of carbon in octahedral sites. In this communication we have specifically used isothermal molecular dynamics with a recent Fe-C EAM potential to examine the observed high temperature transition from the Zener ordered state where carbon resides on only 1/3 of all octahedral sites to a state where all octahedral sites are available for occupation. It is shown that the Zener ordered state begins to disorder at temperatures well below the transition temperature and that this disordering occurs without any spatial correlation.
Yves Bréchet, Emmanuel Clouet, Alexis Deschamps, Alphonse Finel and Frédéric Soisson
C. W. Sinclair and M. Perez, "Ordering in Highly Supersaturated Alpha-Fe-C", Solid State Phenomena, Vols. 172-174, pp. 996-1001, 2011