Surface-area-difference model for thermodynamic properties of metallic nanocrystals

• Published in: Journal of physics. D, Applied physics Vol. 38; no. 9; pp. 1429 - 1436
• Main Authors: Qi, W H, Wang, M P, Zhou, M, Hu, W Y
• Format: Journal Article
• Language: English
• Published: Bristol IOP Publishing 07.05.2005; Institute of Physics
• Subjects: Condensed matter: structure, mechanical and thermal properties; Equations of state, phase equilibria, and phase transitions; Exact sciences and technology; Physics; Specific phase transitions; Structural transitions in nanoscale materials; Thermal properties of condensed matter; Thermal properties of small particles, nanocrystals, nanotubes; Heat of mixing; Melting; Metals; Free surface; Melting points; Surface effect; Interfaces; Vacancy density; Nanocomposites; Surface area; Thermodynamic properties; Cohesive energy; Defect formation; Nanocrystal
• ISSN: 0022-3727; 1361-6463
• DOI: 10.1088/0022-3727/38/9/016

The surface-area-difference (SAD) model is developed for the cohesive energy of metallic crystals by taking into account surface effects, and has been extended to predict the thermodynamic properties of metallic nanoparticles, nanowires and nanofilms with free and non-free surfaces (embedded in a matrix). It is found that the thermodynamic properties of metallic nanocrystals depend on the crystal size and the interface coherence, where the interface coherence determines the variation tendency (increasing or decreasing), and the size determines the magnitude of the variation. The present calculated results on the thermodynamic properties of metallic nanocrystals by the SAD model are consistent with the corresponding experimental values.