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

abstract

• 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. Copyright 2009 American Scientific Publishers All rights reserved.

authors

• Cagin, Tahir

published proceedings

• JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE

author list (cited authors)

• Uludogan, M., Cagin, T., & Tomak, M.

citation count

• 0

complete list of authors

• Uludogan, M||Cagin, T||Tomak, M

publication date

• April 2009

publisher

• American Scientific Publishers  Publisher

published in

• Journal of Computational and Theoretical Nanoscience  Journal

keywords

• Diffusion Coefficient
• Enthalpy Of Mixing
• Melting Temperature
• Structure Factor
• Sutton-Chen Potentials
• Transferability
• Warren-Cowley Parameter

Digital Object Identifier (DOI)

• 10.1166/jctn.2009.1129

start page

• 942

end page

• 949

volume

• 6

issue

• 4

URL

• http%3A%2F%2Fdx.doi.org%2F10.1166%2Fjctn.2009.1129