Origin of Predominance of Cementite among Iron Carbides in Steel at Elevated Temperature

被引：100

作者：

Fang, C. M. ^{[1
,2
]}

Sluiter, M. H. F. ^{[3
]}

van Huis, M. A. ^{[1
,4
]}

Ande, C. K. ^{[2
,3
]}

Zandbergen, H. W. ^{[1
]}

机构：

[1] Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands

[2] Mat Innovat Inst M2i, NL-2628 CD Delft, Netherlands

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

[4] Univ Antwerp, EMAT, B-2020 Antwerp, Belgium

来源：

PHYSICAL REVIEW LETTERS | 2010年 / 105卷 / 05期

关键词：

FE3C; CARBON; CO;

D O I：

10.1103/PhysRevLett.105.055503

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A long-standing challenge in physics is to understand why cementite is the predominant carbide in steel. Here we show that the prevalent formation of cementite can be explained only by considering its stability at elevated temperature. A systematic highly accurate quantum mechanical study was conducted on the stability of binary iron carbides. The calculations show that all the iron carbides are unstable relative to the elemental solids, alpha-Fe and graphite. Apart from a cubic Fe(23)C(6) phase, the energetically most favorable carbides exhibit hexagonal close-packed Fe sublattices. Finite-temperature analysis showed that contributions from lattice vibration and anomalous Curie-Weis magnetic ordering, rather than from the conventional lattice mismatch with the matrix, are the origin of the predominance of cementite during steel fabrication processes.

引用

页数：4

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