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Solid and liquid properties of Pd-Ni metal alloys using quantum Sutton-Chen many-body potential
Date
2003-09-12
Author
Kart, SO
Uludogan, M
Cagin, T
Tomak, Mehmet
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The performance of the quantum Sutton-Chen many body potential on the solid and liquid properties of Pd-Ni fcc transition metal alloys is investigated by molecular dynamics simulations. Elastic constants, phonon dispersion relations and diffusion coefficients are studied. The melting temperatures of Pd-Ni alloys are predicted. The transferability of the potential is also tested by simulating the liquid state. Comparison of the molecular dynamics results with available experimental data shows that the quantum Sutton-Chen potential gives a reasonable description of the solid and liquid properties of alloys considered, in spite of having been parameterized on the experimental data of pure metals at solid phase.
Subject Keywords
Quantum Sutton-Chen potential
,
Elastic constant
,
Phonon dispersion
,
Diffusion coefficient
URI
https://hdl.handle.net/11511/52976
Conference Name
Conference of the NATO-Advanced-Study-Institute on Nanoengineered Nanofibrous Materials
Collections
Department of Physics, Conference / Seminar
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S. Kart, M. Uludogan, T. Cagin, and M. Tomak, “Solid and liquid properties of Pd-Ni metal alloys using quantum Sutton-Chen many-body potential,” Belek-Antalya, TURKEY, 2003, vol. 169, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/52976.