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

S. Sampath; R. Rementeria; X. Huang; J. D. Poplawsky; C. Garcia-Mateo; F. G. Caballero; R. Janisch

doi:10.1016/j.jallcom.2016.02.151

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

S. Sampath, R. Rementeria, X. Huang, J. D. Poplawsky, C. Garcia-Mateo, F. G. Caballero, R. Janisch

Materials MicroAnalysis

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	289-294
Number of pages	6
Journal	Journal of Alloys and Compounds
Volume	673
DOIs	https://doi.org/10.1016/j.jallcom.2016.02.151
State	Published - 2016

Bibliographical note

Publisher Copyright:
© 2016 Elsevier B.V.

Funding

This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ). APT measurements and analyses were conducted at ORNL's Center for Nanophase Materials Sciences (CNMS), which is a U.S. Department of Energy, Office of Science User Facility. The authors gratefully acknowledge the support of the Research Fund for Coal and Steel for funding this research under the Contract RFSR-CT- 2012-00017 .

Funders	Funder number
U.S. Department of Energy
Research Fund for Coal and Steel	RFSR-CT- 2012-00017

Keywords

Atom probe tomography
Atomic scale structure
Computer simulations
Metals and alloys
Microstructure

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10.1016/j.jallcom.2016.02.151

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title = "The role of silicon, vacancies, and strain in carbon distribution in low temperature bainite",

abstract = "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.",

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author = "S. Sampath and R. Rementeria and X. Huang and Poplawsky, {J. D.} and C. Garcia-Mateo and Caballero, {F. G.} and R. Janisch",

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AU - Sampath, S.

AU - Rementeria, R.

AU - Huang, X.

AU - Poplawsky, J. D.

AU - Garcia-Mateo, C.

AU - Caballero, F. G.

AU - Janisch, R.

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N2 - 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.

AB - 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.

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

Abstract

Bibliographical note

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Keywords

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