First-principles prediction of partitioning of alloying elements between cementite and ferrite / Chaitanya Krishna Ande in Acta materialia, Vol. 58 N° 19 (Novembre 2010)  

Public ISBD [article]  inActa materialia > Vol. 58 N° 19 (Novembre 2010) . - pp. 6276–6281 Titre : First-principles prediction of partitioning of alloying elements between cementite and ferrite Type de document : texte imprimé Auteurs : Chaitanya Krishna Ande, Auteur ; Marcel H.F. Sluiter, Auteur Année de publication : 2011 Article en page(s) : pp. 6276–6281 Note générale : Métallurgie Langues : Anglais (eng) Mots-clés : Iron Carbides Steels First-principles electron theory Partitioning Résumé : At long tempering times in steels when both cementite (Fe3C) and ferrite (body-centered cubic (bcc) Fe-rich solid solution) phases are present, alloying elements tend to segregate to either of the two phases. The elements V, Cr, Mn, Mo and W are found to partition to the cementite phase, while Al, Si, P, Co, Ni and Cu partition to ferrite. We show that partitioning of alloying elements and cementite (de)stabilization by alloying in mixtures of bcc Fe and cementite are intimately related through the introduction of a partitioning enthalpy. The formation enthalpy of alloying-element-substituted cementite is shown not to be a proper gauge for addressing these questions. DEWEY : 669 ISSN : 1359-6454 En ligne : http://www.sciencedirect.com/science/article/pii/S1359645410004933 [article] First-principles prediction of partitioning of alloying elements between cementite and ferrite [texte imprimé] / Chaitanya Krishna Ande, Auteur ; Marcel H.F. Sluiter, Auteur . - 2011 . - pp. 6276–6281. Métallurgie Langues : Anglais (eng) in Acta materialia > Vol. 58 N° 19 (Novembre 2010) . - pp. 6276–6281 Mots-clés : Iron Carbides Steels First-principles electron theory Partitioning Résumé : At long tempering times in steels when both cementite (Fe3C) and ferrite (body-centered cubic (bcc) Fe-rich solid solution) phases are present, alloying elements tend to segregate to either of the two phases. The elements V, Cr, Mn, Mo and W are found to partition to the cementite phase, while Al, Si, P, Co, Ni and Cu partition to ferrite. We show that partitioning of alloying elements and cementite (de)stabilization by alloying in mixtures of bcc Fe and cementite are intimately related through the introduction of a partitioning enthalpy. The formation enthalpy of alloying-element-substituted cementite is shown not to be a proper gauge for addressing these questions. DEWEY : 669 ISSN : 1359-6454 En ligne : http://www.sciencedirect.com/science/article/pii/S1359645410004933

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