Journal
JOURNAL OF ALLOYS AND COMPOUNDS
Volume 560, Issue -, Pages 49-53Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2013.01.103
Keywords
Fe7-xCrxC3; Ductile/brittle behavior; First-principles calculations
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A serious investigation of Fe7-xCrxC3 carbides were performed based on first-principles calculations. Alloy element Cr can enhance the structural stability of Fe7-xCrxC3 carbides. Among Fe3C and Fe7-xCrxC3 carbides, Fe4Cr3C3, which shows a higher elastic moduli, is potentially a high-strength and hard material, possessing a ductile property interestingly as well. Calculated hardness of Fe4Cr3C3 is higher than other carbides which are consistent with the current experiments. Electronic structures show that Fe7-xCrxC3 carbides have complex mixture of metallic, covalent, and ionic characters. (c) 2013 Elsevier B.V. All rights reserved.
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