Ferrite-to-Austenite and Austenite-to-Martensite Phase Transformations in the Vicinity of a Cementite Particle: A Molecular Dynamics Approach
J Meiser and HM Urbassek, METALS, 8, 837 (2018).
We used classical molecular dynamics simulation to study the ferrite- austenite phase transformation of iron in the vicinity of a phase boundary to cementite. When heating a ferrite-cementite bicrystal, we found that the austenitic transformation starts to nucleate at the phase boundary. Due to the variants nucleated, an extended poly-crystalline microstructure is established in the transformed phase. When cooling a high-temperature austenite-cementite bicrystal, the martensitic transformation is induced; the new phase again nucleates at the phase boundary obeying the Kurdjumov-Sachs orientation relations, resulting in a twinned microstructure.
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