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Tensile and Shear Deformation of Al/TiB2 Interface with X-doped (X = Cr, Cu, Mg, Mn, Pb, Si, Zn): A First-Principles Study

COMPUTATIONAL MATERIALS SCIENCE(2025)

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Key words
First-principles study,Al/TiB2 interface,Doping,Ideal strength,Tensile and shear deformation,Electronic properties
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