Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5461324 | Journal of Alloys and Compounds | 2017 | 33 Pages |
Abstract
We have developed an empirical and many-body type potential model for Pt-Cu alloys under the framework of the embedding atom method (EAM) formalism. This model can describe the structures and energies of clusters, bulk, surfaces, and defective systems of Pt-Cu alloy well. The test values of cohesive energies, surface formation energies, the formation energies of monovacancy defects, and surface adsorption energies are in good agreement with those predicted from ab-initio calculations. This demonstrates that the new model is able to handle complicated Pt-Cu alloy systems.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Haimen Mu, Bo Xu, Chuying Ouyang, Xueling Lei,