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• W2917383262 abstract "Abstract While the elastic properties of cementite are known, there is no corresponding experimental or theoretical data available for the well-known hexagonal Ɛ-Fe2.4C carbide. In this study we investigated the dynamical and mechanical stability of different configurational structures of the hexagonal Ɛ-Fe2.4C carbide. A reliable structural model was established through the ground state energy and phonon calculations, and was used to calculate the elastic constants. The DOS calculations of that structure revealed a strong covalent bonding between Iron and C as shown by low occupation of states at the Fermi level. The calculated mechanical properties (i.e. Young's modulus Y and shear modulus G) of Ɛ-Fe2.4C carbide surpass those of the ubiquitous θ-Fe3C cementite. The calculated elastic properties are predictions, which can be used as an input to establish reliable models for steel development." @default.
• W2917383262 created "2019-03-02" @default.
• W2917383262 creator A5077255887 @default.
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• W2917383262 date "2019-04-01" @default.
• W2917383262 modified "2023-09-25" @default.
• W2917383262 title "Elastic constants and structural stability of non-stoichiometric epsilon Ɛ-Fe2.4C carbide" @default.
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• W2917383262 doi "https://doi.org/10.1016/j.matchemphys.2019.02.056" @default.
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