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Title: The role of silicon, vacancies, and strain in carbon distribution for low temperature bainite

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:
 [1] ;  [2] ;  [1] ;  [2] ;  [1] ;  [3] ;  [2]
  1. Ruhr Univ. Bochum, Bochum (Germany)
  2. National Center for Metallurgical Research (CENIM-CSIC), Madrid (Spain)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725; RFSR-CT- 2012-00017
Type:
Accepted Manuscript
Journal Name:
Journal of Alloys and Compounds
Additional Journal Information:
Journal Volume: 673; Journal ID: ISSN 0925-8388
Publisher:
Elsevier
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; metals and alloys; atomic scale structure; microstructure; computer simulations; atom probe tomography
OSTI Identifier:
1242670
Alternate Identifier(s):
OSTI ID: 1440790

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., 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. doi: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.. 2016. "The role of silicon, vacancies, and strain in carbon distribution for low temperature bainite". United States. doi: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 = {2016},
month = {2}
}