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High-temperature neutron diffraction and first-principles study of temperature-dependent crystal structures and atomic vibrations in [Ti.sub.3]Al[C.sub.2], [Ti.sub.2]AlC, and [Ti.sub.5] [Al.sub.2] [C.sub.3]
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High-temperature neutron diffraction and first-principles study of temperature-dependent crystal structures and atomic vibrations in [Ti.sub.3]Al[C.sub.2], [Ti.sub.2]AlC, and [Ti.sub.5] [Al.sub.2] [C.sub.3]

Nina J Lane, Sven C Vogel, El'ad N Caspi and Michel W Barsoum
Journal of applied physics, Vol.113(18), p183519
14 May 2013

Abstract

Aluminum alloys Analysis Crystals Diffraction Methods Neutrons Optical properties Phase diagrams Structure Thermal properties Usage
The high-temperature neutron diffraction and first-principles study of temperature-dependent crystal structures and atomic vibrations in [Ti.sub.3]Al[C.sub.2], [Ti.sub.2]AlC, and [Ti.sub.5] [Al.sub.2] [C.sub.3] is described. All the MAX phases show higher thermal expansion in the c direction than in the a direction; the Al atoms exhibit highest isotropic mean-squared atomic displacement parameters in all three phases.

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