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

被引：53

作者：

Xiong, Shiyun ^{[1
,2
]}

Qi, Weihong ^{[1
,2
]}

Huang, Baiyun ^{[3
]}

Wang, Mingpu ^{[1
,2
]}

Li, Yejun ^{[1
,2
]}

机构：

[1] Cent S Univ, Sch Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China

[2] Minist Educ, Key Lab Nonferrous Mat Sci & Engn, Changsha 410083, Hunan, Peoples R China

[3] Cent S Univ, State Key Lab Powder Met, Changsha 410083, Hunan, Peoples R China

来源：

MATERIALS CHEMISTRY AND PHYSICS | 2010年 / 120卷 / 2-3期

基金：

中国博士后科学基金;

关键词：

Nanostructures; Phase transitions; Thermodynamic properties; MECHANICAL ATTRITION; MELTING TEMPERATURE; TI; TRANSFORMATION; NANOCRYSTALS; CLUSTERS; DIAGRAM; MODEL; ZR;

D O I：

10.1016/j.matchemphys.2009.11.043

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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. (C) 2009 Elsevier B.V. All rights reserved.

引用

页码：446 / 451

页数：6

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