Modeling surface energy in porous metallic nanostructures

João Paulo Almeida de Mendonça, Maxwel Gama Monteiro (), Sidiney de Andrade Leonel and Fernando Sato
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João Paulo Almeida de Mendonça: Dep. de Física – Universidade Federal de Juiz de Fora
Maxwel Gama Monteiro: Dep. de Física – Universidade Federal de Juiz de Fora
Sidiney de Andrade Leonel: Dep. de Física – Universidade Federal de Juiz de Fora
Fernando Sato: Dep. de Física – Universidade Federal de Juiz de Fora

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 5, 1-12

Abstract: Abstract In this work we estimate surface energy values in nanostructures, with the use of a tight-binding potential with the second moment approximation. We propose a model to calculate surface energy using differences in cohesive energy. Our model is fully atomistic, and we demonstrate it is a naturally suitable description of general crystalline solids, specially in the sub-micron range, where the precise notion of continuous surface area is compromised. In order to establish our method, we obtain results for nanosized structures of Cu, Au and Cu3Au.

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2018
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DOI: 10.1140/epjb/e2018-80655-2

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