Development of an empirical interatomic potential for the Ag–Ti system

Two interatomic potential mixing rules for the Ti–Ag system were investigated based on the embedded-atom method (EAM) elemental potentials. First principles calculations were performed using SIESTA for various configurations of the Ti–Ag system to see which model best fitted the ab initio results. T...

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Bibliographic Details

Main Authors:	Ying Zhou, Roger Smith, Steven Kenny, Adam Lloyd
Format:	Default Article
Published:	2016
Subjects:	Geochemistry not elsewhere classified Other mathematical sciences not elsewhere classified Titanium Silver Semi-empirical potential Density-functional calculations Geochemistry Mathematical Sciences not elsewhere classified
Online Access:	https://hdl.handle.net/2134/23616
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