Tailoring of Thermosensitive Ultrasonic and Mechanical Properties of ε-Fe3N

Abstract

This work examines the mechanical and thermal properties of ε-Fe₃N, a material with a hexagonal crystal structure (hcp). The ε-Fe₃N's hcp structure allows for a broad range of nitrogen stoichiometry, which can be adjusted to enhance its properties. Fe₃N is a promising contender for upcoming energy technologies due to its unique properties, including high catalytic activity and thermal stability. Its structure contributes to efficient heat dissipation and enhanced mechanical behavior at elevated temperatures. Here, the hcp ε-Fe₃N has been characterized by a potential model. First, we computed higher-order elastic constants (HOECs) and then mechanical properties using the HOECs constants at various temperatures. The material's mechanical characteristics give information about its inherent qualities and stability. Additionally, we have determined the specific heat, thermal conductivity, Debye temperature, and ultrasonic velocities at various temperatures. Finally, all relevant parameters are used to determine the ultrasonic attenuation. The results obtained are consistent with the information found in the other works.