<i>CTEAS</i>: a graphical-user-interface-based program to determine thermal expansion from high-temperature X-ray diffraction

Abstract

The coefficient of thermal expansion analysis suite ( CTEAS ) has been developed to calculate and visualize thermal expansion properties of crystalline materials in three dimensions. The software can be used to determine the independent terms of the second-rank thermal expansion tensor using hkl values, corresponding d hkl listings and lattice constants obtained from powder X-ray diffraction patterns collected at different temperatures. Using CTEAS , a researcher can also visualize the anisotropy of this essential material property in three dimensions. In-depth understanding of the thermal expansion of crystalline materials can be a useful tool in understanding the dependence of the thermal properties of materials on temperature when correlated with the crystal structure.