A Systematic Study on Iron Carbides from First-Principles

Abstract:

The formation enthalpy of a series of Fe-C carbides has been estimated using a first-principles approach. The Fe to C ratio dependence of the formation enthalpy is reasonable, but it is revealed that - and -carbides require an extraordinary environment to be able to form. Furthermore, an addition of substitutional solutes other than Fe and C should promote other carbides with different crystal structures. The analysis suggests further studies to discover the critical concentrations of alloying which stimulate the other carbides to become more stable.

• Periodical: Materials Science Forum (Volumes 654-656)
• Pages: 47-50
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.654-656.47
• Online since: June 2010
• Authors: In Gee Kim, Gul Rahman, Jae Hoon Jang, You Young Song, Seung Woo Seo, H.K.D.H. Bhadeshia, A.J. Freeman, G.B. Olson
• Keywords: Carbide, First-Principle Calculations, Steel, Thermodynamic

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