https://doi.org/10.1140/epjb/e2018-80655-2
Regular Article
Modeling surface energy in porous metallic nanostructures
Dep. de Física – Universidade Federal de Juiz de Fora,
Juiz de Fora, Brazil
a e-mail: maxweljr@gmail.com
Received:
20
November
2017
Received in final form:
31
March
2018
Published online: 21
May
2018
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.
Key words: Solid State and Materials
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2018
