Thermal properties of Ti4AlN3

In this article we report on the atomic displacement parameters, lattice expansions, heat capacity, and thermal conductivity of samples of Ti4AlN3 in the 298-1370 K temperature range. Rietveld refinement of high temperature neutron diffraction data shows that the nitrogen is substoichiometric and the formula is Ti4AlN2.9. In this structure, the atomic displacement parameters of the Al atoms are higher than those of either the Ti or N atoms. The Ti-N bonds adjacent to the Al planes are about 2.5% shorter than the Ti-N bonds in the inner layers. The thermal expansion coefficients along the a and c axes are, respectively, (9.6 +/- 0.1)x10(-6) and (8.8 +/- 0.1)x10(-6) K-1. The unit cell expansivity, (9.4 +/- 0.1)x10(-6) K-1, is in agreement with the dilatometric bulk thermal expansivity (9.7 +/- 0.2)x10(-6) K-1. The heat capacity, c(p), is 150 J/mol K at ambient temperatures and extrapolates to approximate to 220 J/mol K at 1300 K. At all temperatures c(p) equals four times the molar heat capacity of TiN. The room temperature thermal conductivity is 12 W/m K and increases linearly to approximate to 20 W/m K at 1300 K. (C) 2000 American Institute of Physics. [S0021-8979(00)04212-2].