Temperature-induced phase transformation of Fe1-xNix alloys: molecular- dynamics approach

E Sak-Saracino and HM Urbassek, EUROPEAN PHYSICAL JOURNAL B, 88, 169 (2015).

DOI: 10.1140/epjb/e2015-60227-x

Using molecular-dynamics simulation, we study the temperature induced bcc/fcc phase transformation of random Fe1-xNix alloys in the concentration range of x <= 40 at%. The Meyer-Entel potential describes faithfully the decrease of the transition temperature with increasing Ni concentration. The austenite transformation proceeds by homogeneous nucleation and results in a fine-grained poly-crystalline structure. The transformation follows the Nishiyama-Wassermann orientation relationship. The martensite phase nucleates at the grain boundaries (heterogeneous nucleation). Even for the largest crystallite studied (2.75 x 10(5) atoms) the back-transformation results in a single- crystalline grain containing only a small amount of defects. The morphological changes in the transformed material show no significant dependence on Ni content.

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