Modeling surface energy in porous metallic nanostructures
| Autor: | João Paulo Almeida de Mendonça, S. A. Leonel, Maxwel Gama Monteiro, Fernando Sato |
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| Rok vydání: | 2018 |
| Předmět: |
Surface (mathematics)
Range (particle radiation) Work (thermodynamics) Materials science Nanostructure Solid-state physics Second moment of area 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Surface energy 0104 chemical sciences Electronic Optical and Magnetic Materials Chemical physics 0210 nano-technology Porosity |
| Zdroj: | The European Physical Journal B. 91 |
| ISSN: | 1434-6036 1434-6028 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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