Sound Velocities, Elasticity, and Mechanical Properties of Stoichiometric Submicron Polycrystalline δ-MoN at High Pressure.

Abstract

Acoustic velocities and elasticity of stoichiometric submicron polycrystalline δ-MoN have been reported at high pressure using ultrasonic measurements and first-principles calculations. Using the finite-strain equation-of-state approach, the bulk modulus and shear rigidity, as well as their pressure derivatives, are derived from the current experimental data, yielding BS0 = 360.0(8) GPa, G0 = 190.0(5) GPa, ∂BS/∂P = 3.4(2), and ∂G/∂P = 1.4(1). Based on our experimental data and the velocity-elasticity correlated models, the mechanical/thermal properties (i.e., hardness, fracture toughness, Grüneisen parameter, Debye temperature, Poisson's ratio) are also derived. Interestingly, we find that hexagonal δ-MoN is almost as incompressible as superhard cubic boron nitride (cBN) (∼384 GPa) and its hexagonal ε-NbN (∼373 GPa) counterpart, and its shear rigidity (G = 190 GPa) is comparable to that of the superhard diamond composite (G = 204 GPa). Moreover, the fracture toughness of submicron δ-MoN polycrystals is achieved up to ∼4.3 MPa·m1/2, which is comparable to superhard diamond (4-7 MPa·m1/2) and cBN (2-5 MPa·m1/2). The Vickers hardness of submicron δ-MoN is estimated to be Hv ≈ 17.4 GPa using Chen's model, which is found to be almost as hard as hexagonal ε-NbN and δ-WN, and may be very important for its applications in extreme environments.