Liquid properties of Pd-Ni alloys

Date

2004-07-01

Author

Kart, SO
Tomak, Mehmet
Uludogan, M
Cagin, T

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Liquid properties of Pd-Ni metal alloys are computed by molecular dynamics (MD) simulation with the use of quantum SuttonChen potential (Q-SC) model. The thermodynamical, structural, and transport properties of the alloy are investigated. The melting temperatures for Pd-Ni system are predicted. The temperature and concentration dependence of diffusion coefficient and viscosity are reported. The transferability of the potential is tested by simulating the liquid state. The values of melting point are in excellent agreement with the experiment. Comparison of calculated structural and dynamical properties with the available experiments and other calculations shows satisfactory consistency.

Subject Keywords

EMBEDDED-ATOM-METHOD, NONEQUILIBRIUM MOLECULAR-DYNAMICS, FINNIS-SINCLAIR POTENTIALS, TRANSITION-METALS; SELF-DIFFUSION, THERMODYNAMIC PROPERTIES, TRANSPORT-COEFFICIENTS, COMPUTER-SIMULATION, FCC METALS, MODEL

URI

https://hdl.handle.net/11511/40551

Collections

Department of Physics, Article