Standard

Structural tale of two novel (Cr, Mn)C carbides in steel. / Tirumalasetty, GK; Fang, CM; Jansen, J; Yokosawa, T; Boeije, MFJ; Sietsma, J; van Huis, MA; Zandbergen, HW.

In: Acta Materialia, Vol. 78, 2014, p. 161-172.

Research output: Contribution to journalArticleScientificpeer-review

Harvard

Tirumalasetty, GK, Fang, CM, Jansen, J, Yokosawa, T, Boeije, MFJ, Sietsma, J, van Huis, MA & Zandbergen, HW 2014, 'Structural tale of two novel (Cr, Mn)C carbides in steel' Acta Materialia, vol. 78, pp. 161-172. https://doi.org/10.1016/j.actamat.2014.06.035

APA

Tirumalasetty, GK., Fang, CM., Jansen, J., Yokosawa, T., Boeije, MFJ., Sietsma, J., ... Zandbergen, HW. (2014). Structural tale of two novel (Cr, Mn)C carbides in steel. Acta Materialia, 78, 161-172. https://doi.org/10.1016/j.actamat.2014.06.035

Vancouver

Tirumalasetty GK, Fang CM, Jansen J, Yokosawa T, Boeije MFJ, Sietsma J et al. Structural tale of two novel (Cr, Mn)C carbides in steel. Acta Materialia. 2014;78:161-172. https://doi.org/10.1016/j.actamat.2014.06.035

Author

Tirumalasetty, GK ; Fang, CM ; Jansen, J ; Yokosawa, T ; Boeije, MFJ ; Sietsma, J ; van Huis, MA ; Zandbergen, HW. / Structural tale of two novel (Cr, Mn)C carbides in steel. In: Acta Materialia. 2014 ; Vol. 78. pp. 161-172.

BibTeX

@article{5942d5ba7332499f8bdf20227c44f466,
title = "Structural tale of two novel (Cr, Mn)C carbides in steel",
abstract = "Chromium (Cr), manganese (Mn) and carbon (C) are well known alloying elements used in technologically important alloy steels and advanced high strength steels. It is known that binary Crc(x) and MnCx carbides can be formed in steels, but in this study we reveal for the first time that Cr and Mn were found combined in novel ternary cementite type (Cr, Mn)C carbides. Electron diffraction experiments showed that Cr, Mn and C formed two distinct carbide phases possessing orthorhombic and monoclinic crystal structures. Density functional theory calculations were performed on these phases and excellent agreement was found between calculations and experiments on the lattice parameters and relative atomic positions. The calculations showed that the combination of Mn and Cr resulted in a very high thermodynamic stability of the (Cr, Mn)C carbides, and that local structural relaxations are associated with carbon additions. Possible implications of these ternary carbides for novel applications in steel design and manufacturing are discussed.",
author = "GK Tirumalasetty and CM Fang and J Jansen and T Yokosawa and MFJ Boeije and J Sietsma and {van Huis}, MA and HW Zandbergen",
note = "Harvest Available online 16 July 2014",
year = "2014",
doi = "10.1016/j.actamat.2014.06.035",
language = "English",
volume = "78",
pages = "161--172",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Structural tale of two novel (Cr, Mn)C carbides in steel

AU - Tirumalasetty, GK

AU - Fang, CM

AU - Jansen, J

AU - Yokosawa, T

AU - Boeije, MFJ

AU - Sietsma, J

AU - van Huis, MA

AU - Zandbergen, HW

N1 - Harvest Available online 16 July 2014

PY - 2014

Y1 - 2014

N2 - Chromium (Cr), manganese (Mn) and carbon (C) are well known alloying elements used in technologically important alloy steels and advanced high strength steels. It is known that binary Crc(x) and MnCx carbides can be formed in steels, but in this study we reveal for the first time that Cr and Mn were found combined in novel ternary cementite type (Cr, Mn)C carbides. Electron diffraction experiments showed that Cr, Mn and C formed two distinct carbide phases possessing orthorhombic and monoclinic crystal structures. Density functional theory calculations were performed on these phases and excellent agreement was found between calculations and experiments on the lattice parameters and relative atomic positions. The calculations showed that the combination of Mn and Cr resulted in a very high thermodynamic stability of the (Cr, Mn)C carbides, and that local structural relaxations are associated with carbon additions. Possible implications of these ternary carbides for novel applications in steel design and manufacturing are discussed.

AB - Chromium (Cr), manganese (Mn) and carbon (C) are well known alloying elements used in technologically important alloy steels and advanced high strength steels. It is known that binary Crc(x) and MnCx carbides can be formed in steels, but in this study we reveal for the first time that Cr and Mn were found combined in novel ternary cementite type (Cr, Mn)C carbides. Electron diffraction experiments showed that Cr, Mn and C formed two distinct carbide phases possessing orthorhombic and monoclinic crystal structures. Density functional theory calculations were performed on these phases and excellent agreement was found between calculations and experiments on the lattice parameters and relative atomic positions. The calculations showed that the combination of Mn and Cr resulted in a very high thermodynamic stability of the (Cr, Mn)C carbides, and that local structural relaxations are associated with carbon additions. Possible implications of these ternary carbides for novel applications in steel design and manufacturing are discussed.

U2 - 10.1016/j.actamat.2014.06.035

DO - 10.1016/j.actamat.2014.06.035

M3 - Article

VL - 78

SP - 161

EP - 172

JO - Acta Materialia

T2 - Acta Materialia

JF - Acta Materialia

SN - 1359-6454

ER -

ID: 2433461