The role of silicon, vacancies, and strain in carbon distribution for low temperature bainite
Abstract
Here, we investigated the phenomenon of carbon supersaturation and carbon clustering in bainitic ferrite with atom probe tomography (APT) and ab-initio density functional theory (DFT) calculations. The experimental results show a homogeneous distribution of silicon in the microstructure, which contains both ferrite and retained austenite. This distribution is mimicked well by the computational approach. In addition, an accumulation of C in certain regions of the bainitic ferrite with C concentrations up to 13 at % is observed. Based on the DFT results, these clusters are explained as strained, tetragonal regions in the ferritic bainite, in which the solution enthalpy of C can reach large, negative values. It seems that Si itself only has a minor influence on this phenomenon.
- Authors:
-
- Ruhr Univ. Bochum, Bochum (Germany)
- National Center for Metallurgical Research (CENIM-CSIC), Madrid (Spain)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1242670
- Alternate Identifier(s):
- OSTI ID: 1440790
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Alloys and Compounds
- Additional Journal Information:
- Journal Volume: 673; Journal ID: ISSN 0925-8388
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; metals and alloys; atomic scale structure; microstructure; computer simulations; atom probe tomography
Citation Formats
Sampath, S., Rementeria, R., Huang, X., Caballero, Francesca G., Janisch, R., Poplawsky, J. D., and Garcia-Mateo, C. The role of silicon, vacancies, and strain in carbon distribution for low temperature bainite. United States: N. p., 2016.
Web. doi:10.1016/j.jallcom.2016.02.151.
Sampath, S., Rementeria, R., Huang, X., Caballero, Francesca G., Janisch, R., Poplawsky, J. D., & Garcia-Mateo, C. The role of silicon, vacancies, and strain in carbon distribution for low temperature bainite. United States. https://doi.org/10.1016/j.jallcom.2016.02.151
Sampath, S., Rementeria, R., Huang, X., Caballero, Francesca G., Janisch, R., Poplawsky, J. D., and Garcia-Mateo, C. Fri .
"The role of silicon, vacancies, and strain in carbon distribution for low temperature bainite". United States. https://doi.org/10.1016/j.jallcom.2016.02.151. https://www.osti.gov/servlets/purl/1242670.
@article{osti_1242670,
title = {The role of silicon, vacancies, and strain in carbon distribution for low temperature bainite},
author = {Sampath, S. and Rementeria, R. and Huang, X. and Caballero, Francesca G. and Janisch, R. and Poplawsky, J. D. and Garcia-Mateo, C.},
abstractNote = {Here, we investigated the phenomenon of carbon supersaturation and carbon clustering in bainitic ferrite with atom probe tomography (APT) and ab-initio density functional theory (DFT) calculations. The experimental results show a homogeneous distribution of silicon in the microstructure, which contains both ferrite and retained austenite. This distribution is mimicked well by the computational approach. In addition, an accumulation of C in certain regions of the bainitic ferrite with C concentrations up to 13 at % is observed. Based on the DFT results, these clusters are explained as strained, tetragonal regions in the ferritic bainite, in which the solution enthalpy of C can reach large, negative values. It seems that Si itself only has a minor influence on this phenomenon.},
doi = {10.1016/j.jallcom.2016.02.151},
journal = {Journal of Alloys and Compounds},
number = ,
volume = 673,
place = {United States},
year = {Fri Feb 19 00:00:00 EST 2016},
month = {Fri Feb 19 00:00:00 EST 2016}
}
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Works referenced in this record:
Carbon supersaturation of ferrite in a nanocrystalline bainitic steel
journal, April 2010
- Caballero, F. G.; Miller, M. K.; Garcia-Mateo, C.
- Acta Materialia, Vol. 58, Issue 7
Temperature dependence of carbon supersaturation of ferrite in bainitic steels
journal, November 2012
- Caballero, F. G.; Miller, M. K.; Garcia-Mateo, C.
- Scripta Materialia, Vol. 67, Issue 10
Influence of transformation temperature on carbide precipitation sequence during lower bainite formation
journal, July 2014
- Caballero, F. G.; Miller, M. K.; Garcia-Mateo, C.
- Materials Chemistry and Physics, Vol. 146, Issue 1-2
A study of the early stages of tempering of iron-carbon martensites by atom probe field ion microscopy
journal, July 1981
- Miller, M. K.; Beaven, P. A.; Smith, G. D. W.
- Metallurgical Transactions A, Vol. 12, Issue 7
Carbide precipitation during stage I tempering of Fe-Ni-C martensites
journal, December 1989
- Taylor, K. A.; Olson, G. B.; Cohen, M.
- Metallurgical Transactions A, Vol. 20, Issue 12
Low temperature bainitic ferrite: Evidence of carbon super-saturation and tetragonality
journal, June 2015
- Garcia-Mateo, C.; Jimenez, J. A.; Yen, H. -W.
- Acta Materialia, Vol. 91
Experimental evidence for non-cubic bainitic ferrite
journal, September 2013
- Hulme-Smith, C. N.; Lonardelli, I.; Dippel, A. C.
- Scripta Materialia, Vol. 69, Issue 5
Further evidence of tetragonality in bainitic ferrite
journal, March 2014
- Hulme-Smith, C. N.; Peet, M. J.; Lonardelli, I.
- Materials Science and Technology, Vol. 31, Issue 2
Solubility of carbon in tetragonal ferrite in equilibrium with austenite
journal, February 2013
- Jang, Jae Hoon; Bhadeshia, H. K. D. H.; Suh, Dong-Woo
- Scripta Materialia, Vol. 68, Issue 3-4
Carbon in cubic and tetragonal ferrite
journal, September 2013
- Bhadeshia, H. K. D. H.
- Philosophical Magazine, Vol. 93, Issue 28-30
Carbon dissolution and diffusion in ferrite and austenite from first principles
journal, June 2003
- Jiang, D. E.; Carter, Emily A.
- Physical Review B, Vol. 67, Issue 21
Solubility of carbon in α-iron under volumetric strain and close to the Σ5(310)[001] grain boundary: Comparison of DFT and empirical potential methods
journal, January 2011
- Hristova, Elisaveta; Janisch, Rebecca; Drautz, Ralf
- Computational Materials Science, Vol. 50, Issue 3
First-principles study of helium, carbon, and nitrogen in austenite, dilute austenitic iron alloys, and nickel
journal, July 2013
- Hepburn, D. J.; Ferguson, D.; Gardner, S.
- Physical Review B, Vol. 88, Issue 2
A discussion on the atomic mechanism of the bainitic reaction in TRIP steels
journal, August 2002
- van der Zwaag, S.; Wang, J.
- Scripta Materialia, Vol. 47, Issue 3
Complementary use of transmission electron microscopy and atom probe tomography for the examination of plastic accommodation in nanocrystalline bainitic steels
journal, September 2011
- Caballero, F. G.; Yen, Hung-Wei; Miller, M. K.
- Acta Materialia, Vol. 59, Issue 15
Ab initio study of foreign interstitial atom (C, N) interactions with intrinsic point defects in -Fe
journal, April 2004
- Domain, C.; Becquart, C. S.; Foct, J.
- Physical Review B, Vol. 69, Issue 14
Vacancy-Carbon Interaction in Iron
journal, May 1980
- Hautojärvi, P.; Johansson, J.; Vehanen, A.
- Physical Review Letters, Vol. 44, Issue 20
Quenching-in of vacancies in pure α-iron
journal, July 1994
- Seydel, O.; Frohberg, G.; Wever, H.
- Physica Status Solidi (a), Vol. 144, Issue 1
Interaction of carbon with vacancy and self-interstitial atom clusters in α-iron studied using metallic–covalent interatomic potential
journal, January 2011
- Terentyev, Dmitry; Anento, Napoleón; Serra, Anna
- Journal of Nuclear Materials, Vol. 408, Issue 3
Thermodynamics of carbon solubility in ferrite and vacancy formation in cementite in strained pearlite
journal, March 2013
- Nematollahi, Gh. Ali; von Pezold, Johann; Neugebauer, Jörg
- Acta Materialia, Vol. 61, Issue 5
Computer simulation on the interaction between vacancy and carbon impurity in α-Fe
journal, September 2009
- Jiansheng, Qiao; yongli, Liu; Yina, Huang
- Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 267, Issue 18
Influence of substitutional atoms on the solubility limit of carbon in bcc iron
journal, November 2011
- Saitoh, Hajime; Ushioda, Kohsaku; Yoshinaga, Naoki
- Scripta Materialia, Vol. 65, Issue 10
Diffusion of carbon in bcc Fe in the presence of Si
journal, February 2010
- Simonovic, D.; Ande, C. K.; Duff, A. I.
- Physical Review B, Vol. 81, Issue 5
Effects of dilute substitutional solutes on interstitial carbon in -Fe: Interactions and associated carbon diffusion from first-principles calculations
journal, July 2014
- Liu, Peitao; Xing, Weiwei; Cheng, Xiyue
- Physical Review B, Vol. 90, Issue 2
Diffusion Coefficient of C in -Iron
journal, August 1950
- Wert, C. A.
- Physical Review, Vol. 79, Issue 4
Interactions between solute atoms in Fe–Si–Al–C alloys as studied by mechanical spectroscopy
journal, September 2009
- Sinning, H. -R.; Golovin, I. S.; Strahl, A.
- Materials Science and Engineering: A, Vol. 521-522
Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965
- Kohn, W.; Sham, L. J.
- Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
Inhomogeneous Electron Gas
journal, November 1964
- Hohenberg, P.; Kohn, W.
- Physical Review, Vol. 136, Issue 3B, p. B864-B871
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
Special points for Brillouin-zone integrations
journal, June 1976
- Monkhorst, Hendrik J.; Pack, James D.
- Physical Review B, Vol. 13, Issue 12, p. 5188-5192
The inherent tensile strength of iron
journal, March 2002
- Clatterbuck, D. M.; Chrzan, D. C.; Morris, J. W.
- Philosophical Magazine Letters, Vol. 82, Issue 3
Works referencing / citing this record:
Positron Annihilation Spectroscopy Study of Carbon-Vacancy Interaction in Low-Temperature Bainite
journal, January 2020
- Rementeria, Rosalia; Domínguez-Reyes, Ricardo; Capdevila, Carlos
- Scientific Reports, Vol. 10, Issue 1
Study on Bainitic Transformation by Dilatometer and In Situ LSCM
journal, May 2019
- Long, Xiaoyan; Zhang, Fucheng; Yang, Zhinan
- Materials, Vol. 12, Issue 9