Bogdanoff, P. D. and Fultz, B. and Rosenkranz, S. (1999) Vibrational entropy of L12 Cu3Au measured by inelastic neutron scattering. Physical Review B, 60 (6). pp. 3976-3981. ISSN 0163-1829 http://resolver.caltech.edu/CaltechAUTHORS:BOGprb99
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The phonon density of states of elemental Au, Cu, and Cu3Au with L12 chemical order were measured by inelastic neutron scattering and used to calculate the vibrational entropy of formation of the ordered compound from the elemental metals. A vibrational entropy of formation of (0.06±0.03) kB/atom at 300 K was obtained, with the vibrational entropy of the ordered alloy being larger than that of the elemental metals. The phonon DOS of the disordered Cu3Au was simulated by adding the phonon DOS curves of fcc Cu, L12 Cu3Au, and fcc Au to match the numbers of first-nearest-neighbor pairs in a disordered alloy. The vibrational entropy obtained with this simulated DOS disagrees with calorimetric data and theoretical estimates, indicating that the phonon DOS of disordered Cu3Au depends on chemical order at spatial lengths larger than is set by first-nearest-neighbor pairs.
|Additional Information:||©1999 The American Physical Society Received 28 January 1999 This work was supported by the U.S. Department of Energy under Contract No. DE-FG03-96ER45572 and BES-MS, W-31-109-ENG-38.|
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|Deposited On:||14 Mar 2006|
|Last Modified:||26 Dec 2012 08:47|
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