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Physical properties of Pd, Ni metals and their binary alloys
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Date
2004
Author
Özdemir Kart, Sevgi
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The Sutton Chen and quantum Sutton Chen potentials are used in molecular dynamics simulations to describe the structural, thermodynamical, and transport properties of Pd, Ni and their binary alloys in solid, liquid, and glass phases. Static properties including elastic constants, pair distribution function, static structure factor, and dynamical properties consisting of phonon dispersion relation, diffusion coefficient, and viscosity are computed at various temperatures. The melting temperatures for Pd-Ni system are obtained. The transferability of the potentials is tested by simulating the solid and liquid states. The eutectic concentration Pd0.45Ni0.55 is quenched at four different cooling rates. The system goes into glass formation at fast cooling rates, while it evolves to crystal at slow cooling rate. Comparison of calculated structural and dynamical properties with the available experiments and other calculations shows satisfactory consistency.
Subject Keywords
Atomic physics.
URI
http://etd.lib.metu.edu.tr/upload/12604914/index.pdf
https://hdl.handle.net/11511/14134
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Graduate School of Natural and Applied Sciences, Thesis
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S. Özdemir Kart, “Physical properties of Pd, Ni metals and their binary alloys,” Ph.D. - Doctoral Program, Middle East Technical University, 2004.