First-principles prediction of partitioning of alloying elements between cementite and ferrite

被引：93

作者：

Ande, Chaitanya Krishna ^{[1
,2
]}

Sluiter, Marcel H. F. ^{[1
]}

机构：

[1] Delft Univ Technol, Dept Mat Sci & Engn, NL-2628 CD Delft, Netherlands

[2] Mat Innovat Inst, NL-2628 CD Delft, Netherlands

来源：

ACTA MATERIALIA | 2010年 / 58卷 / 19期

关键词：

Iron; Carbides; Steels; First-principles electron theory; Partitioning; ATOM-PROBE CHARACTERIZATION; TOTAL-ENERGY CALCULATIONS; PEARLITE GROWTH-KINETICS; ELECTRONIC-STRUCTURE; MAGNETIC-PROPERTIES; MARTENSITIC STEELS; FRACTURE-BEHAVIOR; 1ST PRINCIPLES; TRANSITION; FE3C;

D O I：

10.1016/j.actamat.2010.07.049

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：6276 / 6281

页数：6

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