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Small concentrations of alloying elements can modify the α-γ phase transition temperature Tc of Fe. We study this effect using an atomistic model based on a set of many-body interaction… Click to show full abstract
Small concentrations of alloying elements can modify the α-γ phase transition temperature Tc of Fe. We study this effect using an atomistic model based on a set of many-body interaction potentials for iron and several alloying elements. Free-energy calculations based on perturbation theory allow us to determine the change in Tc introduced by the alloying element. The resulting changes are in semi-quantitative agreement with experiment. The effect is traced back to the shape of the pair potential describing the interaction between the Fe and the alloying atom.
Journal Title: Materials
Year Published: 2019
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