Journal article
A High-Temperature Neutron Diffraction and First-Principles Study of Ti3AlC2 and Ti-3(Al0.8Sn0.2)C-2
Journal of the American Ceramic Society, v 97(2), pp 570-576
01 Feb 2014
Abstract
Herein, we report on the temperature-dependent crystal structures of Ti3AlC2 and Ti3Al0.8Sn0.2C2 in the 373-1273 K temperature range, as determined by Rietveld analysis of high-temperature neutron diffraction time-of-flight data. The compositions are 86(1) wt% Ti3AlC2 and 14(1) wt% TiC0.92(2) for the sample with no Sn, and 95(1) wt% Ti-3(Al0.8Sn0.2)C-2 and 5 (1) wt% Ti2AlC for the solid solution with Sn. The average linear volumetric thermal expansion is 8.0(2) x 10(-6) K-1 for Ti3AlC2 and 8.2(5) x 10(-6) K-1 for Ti-3(Al0.8Sn0.2)C-2. The average linear thermal expansion in the a and c directions, respectively, are 7.6(2) x 10(-6) K-1 and 8.9(2) x 10(-6) K-1 for Ti3AlC2. For Ti-3(Al0.8Sn0.2)C-2, the respective values are 8.0(5) x 10(-6) K-1 and 8.6(6) x 10(-6) K-1. In the case of the solid solution, the quadratic thermal expansion coefficients are also given. Detailed bond lengths analysis shows that the thermal expansions along the a and c directions are controlled by the thermal expansions of the Ti-C, and Ti-Al bond lengths, respectively. The atomic displacement parameters (ADPs) show that the Al and Sn atoms vibrate with a higher amplitude than the Ti and C atoms. Consistent with first-principles calculations, the ADPs of the Al/Sn site(s) in Ti-3(Al0.8Sn0.2)C-2 are lower than the ADPs of Al in Ti3AlC2.
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Details
- Title
- A High-Temperature Neutron Diffraction and First-Principles Study of Ti3AlC2 and Ti-3(Al0.8Sn0.2)C-2
- Creators
- Nina J. Lane - Drexel UniversitySven C. Vogel - Los Alamos National LaboratoryEl'ad N. Caspi - Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USASylvain Dubois - Institut PprimeVeronique Gauthier-Brunet - Institut PprimeGuo Ping Bei - Univ Poitiers, Dept Phys & Mechqn Mat, PPRIME Inst, UPR 3346,CNRS,ENSMA, F-86962 Futuroscope, FranceMichel W. Barsoum - Drexel UniversityElad N Caspi - Materials Science and Engineering
- Publication Details
- Journal of the American Ceramic Society, v 97(2), pp 570-576
- Publisher
- Wiley
- Number of pages
- 7
- Grant note
- DE-AC02-06CH11357 / U.S. DOE-BES; United States Department of Energy (DOE) U.S. Department of Energy's Office of Basic Energy Sciences; United States Department of Energy (DOE) W911NF-11-1-0525 / Army Research Office (ARO) OCI-1053575 / NSF; National Science Foundation (NSF) DE-AC52-06NA25396 / DOE; United States Department of Energy (DOE)
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering
- Web of Science ID
- WOS:000330684200036
- Scopus ID
- 2-s2.0-84893960698
- Other Identifier
- 991019169631804721
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- Collaboration types
- Domestic collaboration
- International collaboration
- Web of Science research areas
- Materials Science, Ceramics