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 language | English |
|---|---|
| Title of host publication | Materials Science Forum |
| Pages | 47-50 |
| Number of pages | 4 |
| Volume | 654-656 |
| DOIs | |
| Publication status | Published - 2010 |
| Event | 7th Pacific Rim International Conference on Advanced Materials and Processing, PRICM-7 - Cairns, QLD, Australia Duration: Aug 2 2010 → Aug 6 2010 |
Publication series
| Name | Materials Science Forum |
|---|---|
| Volume | 654-656 |
| ISSN (Print) | 02555476 |
Other
| Other | 7th Pacific Rim International Conference on Advanced Materials and Processing, PRICM-7 |
|---|---|
| Country | Australia |
| City | Cairns, QLD |
| Period | 8/2/10 → 8/6/10 |
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Keywords
- Carbides
- First-principles calculations
- Steel
- Thermodynamics
ASJC Scopus subject areas
- Materials Science(all)
- Condensed Matter Physics
- Mechanical Engineering
- Mechanics of Materials
Cite this
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 proceeding › Conference contribution
}
TY - GEN
T1 - A systematic study on iron carbides from first-principles
AU - Kim, In Gee
AU - Rahman, Gul
AU - Jang, Jae Hoon
AU - Song, You Young
AU - Seo, Seung Woo
AU - Bhadeshia, H. K D H
AU - Freeman, Arthur J
AU - Olson, G. B.
PY - 2010
Y1 - 2010
N2 - 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.
AB - 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.
KW - Carbides
KW - First-principles calculations
KW - Steel
KW - Thermodynamics
UR - http://www.scopus.com/inward/record.url?scp=77955492783&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=77955492783&partnerID=8YFLogxK
U2 - 10.4028/www.scientific.net/MSF.654-656.47
DO - 10.4028/www.scientific.net/MSF.654-656.47
M3 - Conference contribution
SN - 0878492550
SN - 9780878492558
VL - 654-656
T3 - Materials Science Forum
SP - 47
EP - 50
BT - Materials Science Forum
ER -