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The strain-induced martensitic phase transformation of Fe–C alloys considering C addition: A molecular dynamics study

Published online by Cambridge University Press:  30 June 2020

Ye Jiao ,
WenJiao Dan  and
WeiGang Zhang
Ye Jiao
Affiliation:
Department of Engineering Mechanics, School of Naval Architecture, Ocean and Civil Engineering, Shanghai Jiao Tong University, Shanghai200240, China
WenJiao Dan*
Affiliation:
Department of Engineering Mechanics, School of Naval Architecture, Ocean and Civil Engineering, Shanghai Jiao Tong University, Shanghai200240, China
WeiGang Zhang
Affiliation:
Department of Engineering Mechanics, School of Naval Architecture, Ocean and Civil Engineering, Shanghai Jiao Tong University, Shanghai200240, China
*
a)Address all correspondence to this author. e-mail: wjdan@sjtu.edu.cn
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Abstract

This study investigates the effect of C on the deformation mechanisms in Fe–C alloys by molecular dynamics simulations. In uniaxial tensile simulations, the face-centered-cubic (fcc) structures of Fe–C alloys undergo the following deformation processes: (i) fcc→body-centered-cubic (bcc) martensitic transformation, (ii) deformation of bcc phase, and (iii) bcc→hcp martensitic transformation, which are significantly influenced by the C concentration. For the low C concentrations (0–0.8 wt%) fcc phase, the fcc→bcc phase transformation accords a two-stage shear transformation mechanism based on the Bain model, the deformation mechanism of the bcc phase is the first migration of twinning structures and then elastic deformation, and the bcc→hcp phase transformation follows Burgers relations resulting from the shear of the bcc close-packed layers. However, for the fcc phase with high C concentrations (1.0–2.0 wt%), the fcc→bcc phase transformation follows a localized Bain transformation mechanism impeded by the C atoms, the bcc phase only experiences elastic deformation, and the bcc→hcp phase transformation also conforms to Burgers relations but become localized due to the addition of more C atoms. Because of the different phase transformation mechanisms between the high C and low C supercells, the dislocation generation mechanism is also different.

Keywords

alloydefectsphase transformation

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Article
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Journal of Materials Research , Volume 35 , Issue 14 , 28 July 2020 , pp. 1803 - 1816
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Copyright © Materials Research Society 2020

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