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Author:
Ying Zhoua   y.zhou3@lboro.ac.uk   Roger Smitha   Steven D. Kennyb   Adam L. Lloyda  


Journal:
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms


Issue Date:
2017


Abstract(summary):

A new modified embedded-atom method interatomic potential for Ag and Ti was developed. Binding energies for various configurations were calculated using SIESTA and were used as the fitting target. Two mixing rules for the embedded-atom method based on the same elemental potentials were also investigated. The results showed that the MEAM with the optimised parameters gives the best agreement to the DFT results.


Page:
122-125


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