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Elastic properties of Ta4AlC3 studied by first-principles calculations

机译:Elastic properties of Ta4AlC3 studied by first-principles calculations

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摘要

Elastic properties of Ta4AlC3 were Studied by first-principles calculations. The five independent elastic constants were derived yielding c(11) = 437 GPa, C-12 = 158 GPa, C-13 = 197 GPa, C-33 = 416 GPa, C-44 = 165 GPa. The bulk modulus B, Young's modulus E, shear modulus G, and Poisson's ratio v were determined to be 266 GPa, 362 GPa. 142 GPa, and 0.27, respectively. Ta4AlC3 is elastically stable with a Ti4AlN3-like structure. Ta4AlC3 exhibits largely isotropic Properties in compression and is slightly anisotropic in shear. The in-plane elastic anisotropy in a-c plane of Ta4AlC3 was also revealed.

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