Thorium Mononitride ThN

A molecular dynamics calculation was performed for thorium mononitride ThN(cr) in the temperature range from 300 to 2800 K to evaluate the thermophysical properties, viz. the lattice parameter, linear thermal expansion coefficient, compressibility, heat capacity (C° ), and thermal conductivity. A Morse-type function added to the Busing-Ida type potential was employed as the potential function for interatomic interactions. The interatomic potential parameters were semi-empirically determined by fitting to the experimental variation of the lattice parameter with temperature. 

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