The role of vibrations in thermodynamic properties of Cu-Ni alloys

Onat, Berk and Durukanoğlu Feyiz, Sondan (2014) The role of vibrations in thermodynamic properties of Cu-Ni alloys. European Physical Journal B: Condensed Matter and Complex Systems, 87 (11). ISSN 1434-6028 (Print) 1434-6036 (Online)

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We report results of a systematic study for vibrational thermodynamic functions of Cu-Ni alloys, in the harmonic approximation, using interaction potentials based on the embedded atom method with improved optimization techniques. The vibrational density of states of the systems is calculated using real space Green’s function method. From an investigation of local force fields we found that increasing Ni concentration in the alloy substantially stiffens the force experienced by Cu atoms compared to that of Ni atoms. Our calculations also reveal that vibrational entropy change between ordered and disordered crystals of Cu-Ni is negligible. However, the mixing entropy of the phonons and electronic states is found to be negative and favors un-mixing, and thus contributes to the miscibility gap.
Item Type: Article
Additional Information: Article Number: 264
Subjects: Q Science > QC Physics > QC176-176.9 Solids. Solid state physics
Q Science > QC Physics > QC310.15 Thermodynamics
Divisions: Faculty of Engineering and Natural Sciences > Basic Sciences > Physics
Faculty of Engineering and Natural Sciences
Depositing User: Sondan Durukanoğlu Feyiz
Date Deposited: 19 Dec 2014 22:21
Last Modified: 02 Aug 2019 12:00

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