The origin of predominance of cementite among iron carbides in steel at elevated temperature

C Fang, MHF Sluiter, MA van Huis, CK Ande, HW Zandbergen

    Research output: Chapter in Book/Conference proceedings/Edited volumeConference contributionScientificpeer-review


    A systematic first-principles study was conducted on the stability of binary iron carbides. The calculations showed that all the binary iron carbides are unstable relative to the elemental solids (¿-Fe and graphite). Apart from a cubic Fe23C6 phase, the energetically most favorable carbides exhibit hexagonal close-packed (hcp) Fesublattices. Structural relaxation of the hcp iron carbides was analyzed and discussed together with their relative thermodynamically stability. Finite-temperature analysis showed that contributions from lattice vibration and anomalous magnetic ordering (Curie-Weiss behavior), rather than from the conventional lattice mismatch with the matrix, are the origin of the high stability and predominance of cementite among the iron carbides in steels.
    Original languageEnglish
    Title of host publicationMRS 2010 Fall Conference
    Editors s.n.
    Place of PublicationBoston
    PublisherCambridge University Press
    Number of pages6
    Publication statusPublished - 2011
    EventMRS Fall Meeting 2010 - Boston
    Duration: 29 Nov 20103 Dec 2010

    Publication series

    PublisherCambridge University Press


    ConferenceMRS Fall Meeting 2010


    • Conf.proc. > 3 pag


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