High-temperature neutron diffraction and first-principles study of temperature-dependent crystal structures and atomic vibrations in Ti3AlC2, Ti2AlC, and Ti5Al2C3

@article{Lane2013HightemperatureND,
  title={High-temperature neutron diffraction and first-principles study of temperature-dependent crystal structures and atomic vibrations in Ti3AlC2, Ti2AlC, and Ti5Al2C3},
  author={Nina J. Lane and Sven C. Vogel and El’ad N. Caspi and Michel W. Barsoum},
  journal={Journal of Applied Physics},
  year={2013},
  volume={113},
  pages={183519}
}
Herein we report on the thermal expansions and temperature-dependent crystal structures of select ternary carbide Mn+1AXn (MAX) phases in the Ti–Al–C phase diagram in the 100−1000 °C temperature range. A bulk sample containing 38(±1) wt. % Ti5Al2C3 (“523”), 32(±1) wt. % Ti2AlC (“211”), 18(±1) wt. % Ti3AlC2 (“312”), and 12(±1) wt. % (Ti0.5Al0.5)Al is studied by Rietveld analysis of high-temperature neutron diffraction data. We also report on the same for a single-phase sample of Ti3AlC2 for… 
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