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

AuthorsSampath, S.; Rementería, Rosalía; Huang, X.; Poplawsky, J. D.; García Mateo, Carlos ; García Caballero, Francisca; Janisch, R.
KeywordsAtomic scale structure
Atom probe tomography
Computer simulations
Metals and alloys
Issue Date2016
CitationJournal of Alloys and Compounds 673: 289-294 (2016)
AbstractWe 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.
Identifiersdoi: 10.1016/j.jallcom.2016.02.151
issn: 0925-8388
Appears in Collections:(CENIM) Artículos
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