Metallic boro-carbides of A₂BC (A = Ti, Zr, Hf and W): a comprehensive theoretical study for thermo-mechanical and optoelectronic applications.

ABSTRACT: High-hardness materials with ductile deformation behavior have recently piqued interest due to their prospective applications, particularly as hard and protective coatings. The crack formation, especially in metal and ceramic materials, is one of the biggest problems of the surface hard coatings on heavy-duty tools. In this regard, mechanical properties (Vickers hardness, fracture toughness, machinability index, index of brittleness, as well as Pugh's ratio) have been studied for the metallic boro-carbides of A₂BC (A = Ti, Zr, Hf, and W) compounds using the state-of-the-art density functional theory in detail. The compounds under investigation are both thermodynamically and mechanically stable. The value of Vickers hardness (in GPa) for A₂BC (A = Ti, Zr, Hf, and W) co

SUBMITTER: Islam R 

PROVIDER: S-EPMC9673901 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature