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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Citation Formats

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.