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Effects of Shape on the Phase Stability of Nanoparticles

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Systems with typical dimensions in the range of 1 to 100 nm are in an intermediate state between the solid and the molecular ones. Such systems are characterized by the fact that the ratio of the number of surface to volume atoms is not small. This is known to lead to size and shape effects on their cohesive properties. Here, the phase diagram of nanosystems is studied in the framework of classical thermodynamics. The validity of thermodynamics to study nanoparticles is first discussed. The roles of the size, shape, and surface tensions are emphasized. The melting temperatures of free and deposited nanoparticles are studied theoretically. The relation with the morphology of such systems is discussed. The theory is extended to the case of structural phase transitions. This is developed in the case of iron nanoparticles. The model is further extended to the case of binary systems.
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Document Type: Research Article

Publication date: 2007-04-01

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  • Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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