A systematic study on iron carbides from first-principles

In Gee Kim, Gul Rahman, Jae Hoon Jang, You Young Song, Seung Woo Seo, H. K D H Bhadeshia, Arthur J Freeman, G. B. Olson

Research output: Chapter in Book/Report/Conference proceedingConference contribution

2 Citations (Scopus)

Abstract

The formation enthalpy of a series of Fe-C carbides has been estimated using a first-principles approach. The Fe to C ratio dependence of the formation enthalpy is reasonable, but it is revealed that χ- and η-carbides require an extraordinary environment to be able to form. Furthermore, an addition of substitutional solutes other than Fe and C should promote other carbides with different crystal structures. The analysis suggests further studies to discover the critical concentrations of alloying which stimulate the other carbides to become more stable.

Original languageEnglish
Title of host publicationMaterials Science Forum
Pages47-50
Number of pages4
Volume654-656
DOIs
Publication statusPublished - 2010
Event7th Pacific Rim International Conference on Advanced Materials and Processing, PRICM-7 - Cairns, QLD, Australia
Duration: Aug 2 2010Aug 6 2010

Publication series

NameMaterials Science Forum
Volume654-656
ISSN (Print)02555476

Other

Other7th Pacific Rim International Conference on Advanced Materials and Processing, PRICM-7
CountryAustralia
CityCairns, QLD
Period8/2/108/6/10

Fingerprint

carbides
Carbides
Iron
iron
Enthalpy
enthalpy
Alloying
alloying
solutes
Crystal structure
crystal structure
iron carbide

Keywords

  • Carbides
  • First-principles calculations
  • Steel
  • Thermodynamics

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering
  • Mechanics of Materials

Cite this

Kim, I. G., Rahman, G., Jang, J. H., Song, Y. Y., Seo, S. W., Bhadeshia, H. K. D. H., ... Olson, G. B. (2010). A systematic study on iron carbides from first-principles. In Materials Science Forum (Vol. 654-656, pp. 47-50). (Materials Science Forum; Vol. 654-656). https://doi.org/10.4028/www.scientific.net/MSF.654-656.47

A systematic study on iron carbides from first-principles. / Kim, In Gee; Rahman, Gul; Jang, Jae Hoon; Song, You Young; Seo, Seung Woo; Bhadeshia, H. K D H; Freeman, Arthur J; Olson, G. B.

Materials Science Forum. Vol. 654-656 2010. p. 47-50 (Materials Science Forum; Vol. 654-656).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Kim, IG, Rahman, G, Jang, JH, Song, YY, Seo, SW, Bhadeshia, HKDH, Freeman, AJ & Olson, GB 2010, A systematic study on iron carbides from first-principles. in Materials Science Forum. vol. 654-656, Materials Science Forum, vol. 654-656, pp. 47-50, 7th Pacific Rim International Conference on Advanced Materials and Processing, PRICM-7, Cairns, QLD, Australia, 8/2/10. https://doi.org/10.4028/www.scientific.net/MSF.654-656.47
Kim IG, Rahman G, Jang JH, Song YY, Seo SW, Bhadeshia HKDH et al. A systematic study on iron carbides from first-principles. In Materials Science Forum. Vol. 654-656. 2010. p. 47-50. (Materials Science Forum). https://doi.org/10.4028/www.scientific.net/MSF.654-656.47
Kim, In Gee ; Rahman, Gul ; Jang, Jae Hoon ; Song, You Young ; Seo, Seung Woo ; Bhadeshia, H. K D H ; Freeman, Arthur J ; Olson, G. B. / A systematic study on iron carbides from first-principles. Materials Science Forum. Vol. 654-656 2010. pp. 47-50 (Materials Science Forum).
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