Thermodynamic, Thermal and Elastic Properties of Titanium Nitride TiN: Comparison of Various Data and Determination of the Most Reliable Values

Abstract

The analysis of literary data on thermodynamic, thermal and elastic properties of titanium nitride TiN which included values Debye temperature θD, volume coefficient of thermal expansion αV and bulk modulus B under standard conditions is carried out. It has been shown that the known data have a significant spread of values from 20 to 43 %. The 8 most rational variants of optimizing calculations are proposed, which make it possible to reveal the most reliable values of some TiN parameters. At the same time, the minimum and maximum values of θD and αV were used from literary sources, as well as the least contradictory data on isobaric heat capacity Cp, melting temperature Tm.p and density d of TiN. To improve the calculated results, the values of θD(TiN) determined using the methods of Magnus ‒ Lindeman and Debye were also used. The Mayer’s relation was the basic test expression. The obtained values of the bulk modulus were compared with the literature data. This made it possible to distinguish the least and most reliable values of αV and θD, as well as make a refinement correction for the last value. As a result, it was found that under standard conditions, the value of θD(TiN) close to the optimal should be within 746‒769 K, and for its isochoric heat capacity CV ‒ in the range 36.55‒37.19 J/(mol×K). The range of values, after optimization, does not exceed 3 %, unlike the 20 % available in the literature. A more accurate definition of Debye temperature for TiN needs to radically refine the values of its αV and B