The effect of metal transition dopant on electronic and mechanical properties of titanium nitride: First principle method

Mechanical, structural, and thermodynamic properties of TaC-ZrC ultra-high temperature ceramics using first principle methods

“…Another important parameter that shows the resistance of such a material to erosion or wear is yield pressure, represented by the ratio of cube of hardness over square of Young modulus H E . 1 8 respectively, implying adding a small amount of other metal transition into the carbide structure can enhance the hardness and H E 3 2 extensively, that it is unlike the metal transition nitrides, which is shown that adding a metal transition to TiN lowers its hardness [32].…”

“…When atoms are transported into the substrate surface, the one with more negative cohesive energy is more likely to form, leading to non-equality of the number of one species in plasma with the chemical composition. The difference between formation enthalpy of mentioned carbides with metal transition nitrides [32] or oxynitrides [33] is very distinctive. Therefore, the co-deposition of metal nitrides and carbides simultaneously in such methods like physical vapor deposition (PVD) becomes of concern.…”

Precipitation stability and micro-property of (Nb, Ti)C carbides in MMC coating

“…Xu et al [18] researched the mechanical parameters of Ti substitutional additions of β-Ta5Si3 by theoretical calculation to guide the compositional design and found that the (Ta0.902Ti0.098)5Si3 could achieve the optimum mechanical properties. Farhadizade et al [19] investigated the mechanical and electronic properties and the phase stability of Ti7TMN8 (TM = V, Cr, Mn, Zr, Nb, Mo, Hf, Ta, W, Re and Os) and indicated that the Ti7VN8 and Ti7MnN8 has the maximum hardness of 30.7 GPa compared to other doped nitrides. Zhang et al [20] researched mechanical properties of Fe7-xCrxC carbide and found that Fe4Cr3C carbide has satisfactory mechanical properties.…”