Thermal Expansion of Ni3Al Intermetallic Compound: Experiment and Simulation**Supported by the National Natural Science Foundation of China under Grant Nos 51327901, 51474175 and 51522102.

Abstract

The thermal expansion of Ni3Al intermetallic compound is determined by a thermal dilatometer and simulated by the molecular dynamics method. The results of the linear thermal expansion coefficients are presented from 200 K up to the maximum temperature of 1600 K. The single phase of Ni3Al intermetallic compound is confirmed by x-ray diffraction together with DSC melting and solidification peaks, from which the solidus and the liquidus temperatures are obtained to be 1660 and 1695 K, respectively. The measured linear thermal expansion coefficient increases from 1.5 × 10−5 to 2.7 × 10−5 K−1 in the experimental temperature range, in good agreement with the data obtained by the molecular dynamics simulation, just a slight difference from the temperature dependence coefficient. Furthermore, the atomic structure and position are presented to reveal the atom distribution change during thermal expansion of Ni3Al compound.