Size and shape dependent Gibbs free energy and phase stability of titanium and zirconium nanoparticles

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• 作者：Shiyun Xiong ; Weihong Qi ; Baiyun Huang ; Mingpu Wang ; Yejun Li
• 关键词：Nanostructures ; Phase transitions ; Thermodynamic properties
• 刊名：Materials Chemistry and Physics
• 出版年：2010
• 出版时间：15 April 2010
• 年：2010
• 卷：120
• 期：2-3
• 页码：446-451
• 全文大小：1501 K

文摘

The Debye model of Helmholtz free energy for bulk material is generalized to Gibbs free energy (GFE) model for nanomaterial, while a shape factor is introduced to characterize the shape effect on GFE. The structural transitions of Ti and Zr nanoparticles are predicted based on GFE. It is further found that GFE decreases with the shape factor and increases with decreasing of the particle size. The critical size of structural transformation for nanoparticles goes up as temperature increases in the absence of change in shape factor. For specified temperature, the critical size climbs up with the increase of shape factor. The present predictions agree well with experiment values.