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Crystals 2015, 5(1), 143-153; doi:10.3390/cryst5010143

TEV—A Program for the Determination of the Thermal Expansion Tensor from Diffraction Data

Institute of Mineralogy and Petrography, University of Innsbruck, Innrain 52, A-6020 Innsbruck, Austria
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Academic Editor: Anja-Verena Mudring
Received: 6 January 2015 / Accepted: 4 February 2015 / Published: 16 February 2015
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Abstract

TEV (Thermal Expansion Visualizing) is a user-friendly program for the calculation of the thermal expansion tensor αij from diffraction data. Unit cell parameters determined from temperature dependent data collections can be provided as input. An intuitive graphical user interface enables fitting of the evolution of individual lattice parameters to polynomials up to fifth order. Alternatively, polynomial representations obtained from other fitting programs or from the literature can be entered. The polynomials and their derivatives are employed for the calculation of the tensor components of αij in the infinitesimal limit. The tensor components, eigenvalues, eigenvectors and their angles with the crystallographic axes can be evaluated for individual temperatures or for temperature ranges. Values of the tensor in directions parallel to either [uvw]’s of the crystal lattice or vectors (hkl) of reciprocal space can be calculated. Finally, the 3-D representation surface for the second rank tensor and pre- or user-defined 2-D sections can be plotted and saved in a bitmap format. TEV is written in JAVA. The distribution contains an EXE-file for Windows users and a system independent JAR-file for running the software under Linux and Mac OS X. The program can be downloaded from the following link: http://www.uibk.ac.at/mineralogie/downloads/TEV.html (Institute of Mineralogy and Petrography, University of Innsbruck, Innsbruck, Austria) View Full-Text
Keywords: thermal expansion tensor; diffraction; representation surfaces; computer program thermal expansion tensor; diffraction; representation surfaces; computer program
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Langreiter, T.; Kahlenberg, V. TEV—A Program for the Determination of the Thermal Expansion Tensor from Diffraction Data. Crystals 2015, 5, 143-153.

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