Issues »  Volume 37, Issue 4

Concept of Size-Dependent Atomic Interaction Energies for Solid Nanomaterials: Thermodynamic and Diffusion Aspects

Aram S. Shirinyan

Physicochemical Materials Science Centre of the Taras Shevchenko Kyiv National University and the National Academy of Science of Ukraine, 64 Volodymyrska Str., 01601 Kyiv, Ukraine

Received: 27.01.2015. Download: PDF

Energy-related problems of solid nanoparticles and nanoscale materials concerning their stability and structure are investigated with a specifically targeting on nanocrystalline metallic systems. The new concept based on the atomic hypothesis about the size dependence of nearest atom—atom interaction energy and co-ordinated actions of atoms is offered. The verification is done for metallic thin films and nanoparticles on the basis of experimental results, theoretical approach, and molecular static simulations. As shown, for nanomaterials, the concepts of size-dependent interatomic interaction energies can be used for description of thermodynamic and kinetic properties.

Key words: atom—atom interaction, size effect, thermodynamic properties, diffusion in nanomaterials, nanocrystalline structures.

URL: http://mfint.imp.kiev.ua/en/abstract/v37/i04/0475.html

DOI: https://doi.org/10.15407/mfint.37.04.0475

PACS: 05.70.Ce, 34.20.Cf, 61.46.Hk, 64.75.Jk, 66.30.Pa, 81.07.Bc, 82.60.Qr

Citation: Aram S. Shirinyan, Concept of Size-Dependent Atomic Interaction Energies for Solid Nanomaterials: Thermodynamic and Diffusion Aspects, Metallofiz. Noveishie Tekhnol., 37, No. 4: 475—486 (2015)

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