Effect of C on the Martensitic Transformation in Fe-C Alloys in the Presence of Pre-Existing Defects: A Molecular Dynamics Study

Journal article


Publication Details

Author(s): Karewar S, Sietsma J, Santofimia MJ
Journal: Crystals
Publication year: 2019
Volume: 9
Journal issue: 2
ISSN: 2073-4352


Abstract

Molecular dynamics simulations are used to investigate the atomic effects of carbon (C) addition in Fe on the martensitic phase transformation in the presence of pre-existing defects such as stacking faults and twin boundaries. The pre-existing defect structures in Fe-C alloys have the same effect on the atomistic mechanisms of martensitic transformation as in pure Fe. However, C addition decreases the martensitic transformation temperature. This effect is captured by characterizing three parameters at the atomic level: atomic shear stresses, atomic energy, and total energy as a function of temperature for face-centered-cubic (fcc) and body-centered-cubic (bcc) phases. The thermodynamic effect of fcc phase stabilization by C addition is revealed by the atomic energy at a particular temperature and total energy as a function of temperature. The barrier for fcc-to-bcc transformation is revealed by analysis of atomic shear stresses. The analysis indicates that addition of C increases the atomic shear stresses for atomic displacements during martensitic transformation, which in turn decreases the martensitic transformation temperature.


FAU Authors / FAU Editors

Karewar, Shivraj, Ph.D.
Lehrstuhl für Werkstoffwissenschaften (Allgemeine Werkstoffeigenschaften)


External institutions with authors

Delft University of Technology


How to cite

APA:
Karewar, S., Sietsma, J., & Santofimia, M.J. (2019). Effect of C on the Martensitic Transformation in Fe-C Alloys in the Presence of Pre-Existing Defects: A Molecular Dynamics Study. Crystals, 9(2). https://dx.doi.org/10.3390/cryst9020099

MLA:
Karewar, Shivraj, Jilt Sietsma, and Maria J. Santofimia. "Effect of C on the Martensitic Transformation in Fe-C Alloys in the Presence of Pre-Existing Defects: A Molecular Dynamics Study." Crystals 9.2 (2019).

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Last updated on 2019-26-03 at 12:23