CTEAS: 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 usinghklvalues, correspondingdhkllistings and lattice constants obtained from powder X-ray diffraction patterns collected at different temperatures. UsingCTEAS, 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.