Transferability of Sutton-Chen Potential Parameters in Au-Ni Binary Metal Alloys

Date

2009-04-01

Author

Uludogan, M.
Cagin, T.
Tomak, Mehmet

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The dynamic and static properties of Au, Ni and Au-Ni alloy system are investigated by means of Molecular Dynamics using the Sutton-Chen potential. Two different potential parameters set are applied for this potential: The original Sutton-Chen parameters set and quantum-Sutton-Chen parameters set. This work concentrates on the transferability of potential model parameters by means of enthalpy of mixing, nearest neighbor Warren-Cowley short-range order parameter, diffusion coefficient, and the static structure factor. Calculations have been carried out in solid and liquid. The atomic structure and thermodynamic properties of the alloy also constitute basic questions we address in this investigation.

Subject Keywords

Electrical and Electronic Engineering, General Materials Science, General Chemistry, Condensed Matter Physics, Computational Mathematics

URI

https://hdl.handle.net/11511/40485

Journal

JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

DOI

https://doi.org/10.1166/jctn.2009.1129

Collections

Department of Physics, Article

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Citation Formats

M. Uludogan, T. Cagin, and M. Tomak, “Transferability of Sutton-Chen Potential Parameters in Au-Ni Binary Metal Alloys,” JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, pp. 942–949, 2009, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/40485.