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Journal article
High-Temperature Neutron Diffraction Study of Nb2AlC and TiNbAlC
Journal of the American Ceramic Society, v 98(3), pp 940-947
01 Mar 2015
Abstract
Herein, we report on the crystal structures of Nb2AlC and TiNbAlCactual composition (Ti-0.45,Nb-0.55)(2)AlCcompounds determined from Rietveld analysis of neutron diffraction patterns in the 300-1173K temperature range. The average linear thermal expansion coefficients of a Nb2AlC sample in the a and c directions are, respectively, 7.9(5)x10(-6) and 7.7(5)x10(-6)K(-1) on one neutron diffractometer and 7.3(3)x10(-6) and 7.0(2)x10(-6)K(-1) on a second diffractometer. The respective values for the (Ti-0.45,Nb-0.55)(2)AlC compositiononly tested on one diffractometerare 8.5(3)x10(-6) and 7.5(5)x10(-6)K(-1). These values are relatively low compared to other MAX phases. Like other MAX phases, however, the atomic displacement parameters (APDs) show that the Al atoms vibrate with higher amplitudes than the Ti and C atoms, and more along the basal planes than normal to them. When the predictions of the APDs obtained from density functional theory are compared to the experimental results, good quantitative agreement is found for the Al atoms. In case of the Nb and C atoms, the agreement was more qualitative.
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Details
- Title
- High-Temperature Neutron Diffraction Study of Nb2AlC and TiNbAlC
- Creators
- Grady W. Bentzel - Drexel UniversityNina J. Lane - Drexel UniversitySven C. Vogel - Los Alamos National LaboratoryKe An - Oak Ridge National LaboratoryMichel W. Barsoum - Drexel UniversityEl'ad N. Caspi - Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USAOak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Publication Details
- Journal of the American Ceramic Society, v 98(3), pp 940-947
- Publisher
- Wiley
- Number of pages
- 8
- Grant note
- U.S. Department of Energy's Office of Basic Energy Sciences; United States Department of Energy (DOE) Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy; United States Department of Energy (DOE) 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:000351050300037
- Scopus ID
- 2-s2.0-84924064139
- Other Identifier
- 991019167910804721
InCites Highlights
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- Collaboration types
- Domestic collaboration
- Web of Science research areas
- Materials Science, Ceramics