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Abstract
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he stacking fault energy (SFE) is an important
parameter in the deformation mechanism of face centered
cubic (fcc) iron–based alloy. In this study, the effect of
interstitial (C and N) and substitution (Nb and Ti) alloying elements on the intrinsic SFE (ISFE) of nanocrystalline iron were investigated via molecular dynamics (MD)
simulation. The modifed embedded atom method (MEAM)
inter-atomic potential was used in the MD simulations. The
results demonstrate a strong dependence of ISFE with addition of interstitial alloying elements but only a mild increase
in ISFE with addition of substitution alloying elements in
the composition range of 0<{CNb, CTi}<3 (at%). Moreover,
it is shown that alloying of fcc iron with N decreases ISFE,
whereas it increases signifcantly by addition of carbon element [0 < {CC, CN} < 3.5 (at%)]. The simulation method
employed in this work shows reasonable agreement with
some published experimental/calculated data.
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