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Liquid properties of Pd-Ni alloys
Date
2004-07-01
Author
Kart, SO
Tomak, Mehmet
Uludogan, M
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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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
Journal
JOURNAL OF NON-CRYSTALLINE SOLIDS
DOI
https://doi.org/10.1016/j.jnoncrysol.2004.03.121
Collections
Department of Physics, Article