First-principles calculations on the stabilization of iron carbides (Fe3C, Fe5C2 and ?-Fe2C) in steels

Ande, C.K.

First-principles calculations on the stabilization of iron carbides (Fe3C, Fe5C2 and ?-Fe2C) in steels

Doctoral thesis (2013)

Authors

C.K. Ande

Contributors

B.J. Thijsse (promotor)

M.H.F. Sluiter (promotor)

Department

Materials Science & Engineering

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Published Date

17-10-2013

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Faculty

Mechanical, Maritime and Materials Engineering

Department

Materials Science & Engineering

Abstract

First-principles Density Functional Theory (DFT) based calculations are used to quantitatively study the effect of alloying elements on the stability of iron carbides (Fe3C, Fe5C2 and ?-Fe2C) that form in steels.

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