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Molecular Dynamics Simulation of Liquid Cu-Ni Alloy Using Embedded Atom Method

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Abstract:

Molecular dynamics simulation has been performed to explore the thermodynamics and dynamics properties of liquid Cu-Ni alloy based upon developed embedded atom methods (EAM), namely due to G. Bonny. The calculated liquid density shows that the potential underestimates the measured atomic density for Ni-rich composition. The calculated mixing enthalpy predicts the potential underestimates the mixing enthalpy when the concentration of Ni is increased beyond roughly 30 at. %. We make a conclusion from the fact that the G. Bonny’s model is not full perfect in describing the density and mixing enthalpy of Cu-Ni melts at the Ni-rich composition.

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Periodical:

Advanced Materials Research (Volume 643)

Pages:

116-119

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.643.116

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Online since:

January 2013

Authors:

Teng Fang, Li Wang, Yu Qi

Keywords:

Cu-Ni Melts, Diffusion Coefficient, Molecular Dynamics (MD) Simulation, Thermodynamics Properties

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© 2013 Trans Tech Publications Ltd. All Rights Reserved

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