Recently synthesized (Zr1-xTix)2AlC (0 ≤ x ≤ 1) solid solutions: Theoretical study of the effects of M mixing on physical properties
Abstract
The effects of M atomic species mixing on the structural, elastic, electronic, and thermodynamic properties of newly synthesized MAX phase (Zr1-xTix)2AlC (0 ≤ x ≤ 1) solid solutions have been studied for the first time by means of density functional theory (DFT) based first principles calculations. The lattice constants are in good accord with the experimental results and found to decrease with Ti contents. The elastic constants, Cij, and the...
Paper Details
Title
Recently synthesized (Zr1-xTix)2AlC (0 ≤ x ≤ 1) solid solutions: Theoretical study of the effects of M mixing on physical properties
Published Date
Apr 1, 2018
Volume
743
Pages
146 - 154
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