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

被引:27
作者
Jones, Z. A. [1 ]
Sarin, P. [1 ]
Haggerty, R. P. [1 ]
Kriven, W. M. [1 ]
机构
[1] Univ Illinois, Urbana, IL 61801 USA
关键词
computer programs; CTE tensor; thermal expansion; X-ray diffraction;
D O I
10.1107/S0021889813002938
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:550 / 553
页数:4
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