Effect of C on the Martensitic Transformation in Fe-C Alloys in the Presence of Pre-Existing Defects: A Molecular Dynamics Study
Karewar S, Sietsma J, Santofimia MJ (2019)
Publication Type: Journal article
Publication year: 2019
Journal
Book Volume: 9
Journal Issue: 2
DOI: 10.3390/cryst9020099
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.
Authors with CRIS profile
Additional Organisation(s)
Professur für Datenbasierte Materialmodellierung
Lehrstuhl für Werkstoffwissenschaften (Allgemeine Werkstoffeigenschaften)
Involved external institutions
Netherlands (NL)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).
BibTeX: Download