Thermal properties of Ti3SiC2

Abstract

The thermal properties of polycrystalline Ti3SiC2 in the 25 °C-1000 °C temperature range determined by Rietveld refinement of high temperature neutron diffraction data, show that at all temperatures, the amplitudes of vibration of the Si atoms are higher than those of the Ti and C atoms. Up to 700 °C, the vibrations of the Si atoms are quite isotropic but the vibrations of the other atoms are greater along the c-than along the a-axis. The amplitudes of vibration of the Ti atoms adjacent to the Si atoms are higher and more anisotropic than for the other Ti atom sandwiched between the C-layers. Good agreement is obtained between the bulk thermal expansion coefficients measured by dilatometry, 9.1(±0.2)×10-6 °C-1, and the values from the neutron diffraction results, 8.9(±0.1)×10-6 °C-1. The thermal expansion coefficients along the a-and c-axes are, respectively, 8.6(±0.1)×10-6 °C-1 and 9.7(±0.1)×10-6 °C-1. The heat capacity is 110 J/mol K at ambient temperatures and extrapolates to ≈155 J/mol K at 1200 °C. The room temperature thermal conductivity is 37 W/m K and decreases linearly to 32 W/m K at 1200 °C. The thermal conductivity is dominated by delocalized electrons.