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Phonon dispersions and elastic constants of disordered Pd-Ni alloys
Date
2005-01-31
Author
Kart, SO
Tomak, Mehmet
Cagin, T
Metadata
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This work is licensed under a
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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Phonon frequencies of Pd-Ni alloys are calculated by molecular dynamics (MD) simulation. Lattice dynamical properties computed from Sutton-Chen (SC) and quantum Sutton-Chen (Q-SC) potentials as a function of temperature are compared with each other. We present all interatomic force constants up to the 8th nearest-neighbor shell obtained by using the calculated potential. Elastic constants evaluated by two methods are consistent with each other. The transferability of the potential is also tested. The results are in good agreement with experimental data and other calculations.
Subject Keywords
Electrical and Electronic Engineering
,
Electronic, Optical and Magnetic Materials
,
Condensed Matter Physics
URI
https://hdl.handle.net/11511/47416
Journal
PHYSICA B-CONDENSED MATTER
DOI
https://doi.org/10.1016/j.physb.2004.11.066
Collections
Department of Physics, Article