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Published November 28, 1994 | Published
Journal Article Open

Magnitude and Origin of the Difference in Vibrational Entropy between Ordered and Disordered Fe3Al


The difference in vibrational entropy between chemically disordered and DO3-ordered Fe3Al was measured by calorimetry to be (0.10 ± 0.03) kB/atom at high temperatures, with the ordered alloy having the lower vibrational entropy. Analysis of the vibrational modes of the ordered and disordered alloys with a Born-von Kármán model showed that the lower vibrational entropy of the ordered alloy originates from high-frequency optical modes involving large-amplitude vibrations of the aluminum-rich sublattice.

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© 1994 The American Physical Society Received 1 August 1994 We acknowledge the help amd interest of Dr. C. C. Ahn and conversations with G. Ackland, G. D. Garulsky, and G. Ceder. This work was supported by the U.S. Department of Energy under Contract No. DE-FG03-86ER45270.

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August 22, 2023
August 22, 2023