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Ferrite-to-Austenite and Austenite-to-Martensite Phase Transformations in the Vicinity of a Cementite Particle: A Molecular Dynamics Approach

Physics Department and Research Center OPTIMAS, University Kaiserslautern, Erwin-Schrödinger-Straße, D-67663 Kaiserslautern, Germany
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Metals 2018, 8(10), 837; https://doi.org/10.3390/met8100837
Received: 27 September 2018 / Revised: 12 October 2018 / Accepted: 15 October 2018 / Published: 17 October 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. View Full-Text
Keywords: cementite; iron; keyword phase transformation; martensite; molecular dynamics cementite; iron; keyword phase transformation; martensite; molecular dynamics
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MDPI and ACS Style

Meiser, J.; Urbassek, H.M. Ferrite-to-Austenite and Austenite-to-Martensite Phase Transformations in the Vicinity of a Cementite Particle: A Molecular Dynamics Approach. Metals 2018, 8, 837.

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