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Phonon modes and vibrational entropy of mixing in Fe-Cr

Fultz, B. and Anthony, L. and Robertson, J. L. and Nicklow, R. M. and Spooner, S. and Mostoller, M. (1995) Phonon modes and vibrational entropy of mixing in Fe-Cr. Physical Review B, 52 (5). pp. 3280-3285. ISSN 0163-1829. doi:10.1103/PhysRevB.52.3280.

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Results from neutron inelastic-scattering experiments on Fe, Cr, and three bcc Fe-Cr alloys were analyzed with a Born–von Kármán model to obtain phonon density-of-states (DOS) curves. We compared the phonon DOS of the bcc Fe-Cr alloys to the composite phonon DOS from appropriate fractions of the phonon DOS of the pure metals Fe and Cr. In the high-temperature limit, we obtained the vibrational entropy of mixing of Fe and Cr to be 0.141, 0.201, and 0.214 kB/atom for alloys of Fe70Cr30,Fe53Cr47, and Fe30Cr70, respectively, with the disordered solid solution having the larger vibrational entropy. Some expected effects of vibrational entropy on the chemical unmixing transformation in Fe-Cr are discussed.

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Fultz, B.0000-0002-6364-8782
Additional Information:© 1995 The American Physical Society Received 27 January 1995 The part of this work done at the Oak Ridge National Laboratory was sponsored by the Division of Materials Sciences, U.S. Department of Energy, under Contract No. DE-AC05-84OR21400 with Martin Marrietta Energy Systems, Inc. The Caltech effort was supported by the U.S. Department of Energy under Contract No. DE-FG03-86ER45270.
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Department of Energy (DOE)DE-AC05-84OR21400
Department of Energy (DOE)DE-FG03-86ER45270
Issue or Number:5
Record Number:CaltechAUTHORS:FULprb95b
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ID Code:1799
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Deposited On:18 Feb 2006
Last Modified:08 Nov 2021 19:42

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