Effect of alloying on elastic properties of ZrN based transition metal nitride alloys

• Published in: Surface & coatings technology Vol. 255; pp. 140 - 145
• Main Authors: Kanoun, Mohammed Benali, Goumri-Said, Souraya
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Amsterdam Elsevier B.V 25-09-2014; Elsevier
• Subjects: Ab initio calculations; Applied sciences; Cross-disciplinary physics: materials science; rheology; Ductility; Elastic properties; Exact sciences and technology; Materials science; Mechanical properties and methods of testing. Rheology. Fracture mechanics. Tribology; Metals. Metallurgy; Nitrides; Physics; Surface treatments; Ternary alloys; Zr[sbnd]M[sbnd]N; Ternary alloys; Nitrides; ZrMN; Elastic properties; Ab initio calculations; Ductility; Mechanical properties; Composition effect; Surface treatments; Zr-M-N; Calculus
• ISSN: 0257-8972; 1879-3347
• DOI: 10.1016/j.surfcoat.2014.03.048

We report the effect of composition and metal sublattice substitutional element on the structural, elastic and electronic properties of ternary transition metal nitrides Zr1−xMxN with M=Al, Ti, Hf, V, Nb, W and Mo. The analysis of the elastic constants, bulk modulus, shear modulus, Young's modulus, and Poisson's ratio provides insights regarding the mechanical behavior of Zr1−xMxN. We predict that ternary alloys are more ductile compared to their parent binary compounds. The revealed trend in the mechanical behavior might help for experimentalists on the ability of tuning the mechanical properties during the alloying process by varying the concentration of the transition metal.
•First principle predictions of structural, elastic and electronic properties of ZrN-based ternary alloys•ZrMN alloys are predicted to be more ductile than their parent binary compounds.•Tuning of the mechanical properties of Zr1−xMxN by varying M concentration•The revealed trend in elastic properties provides insights for the design of novel ZrN-based coatings.