Validity of Wulff construction used for size-dependent melting point of nanoparticles

被引：0
作者：
Zhang, S. [1 ,2 ]
Zhang, L. [1 ]
Chen, L. [3 ]
机构：
[1] Jilin Univ, Sch Mech Sci & Engn, Changchun 130025, Peoples R China
[2] Jilin JianZhu Univ, Dept Mat Sci & Engn, Changchun 130000, Peoples R China
[3] Jilin JianZhu Univ, Dept Municipal & Environm Engn, Changchun 130000, Peoples R China
来源：
METALLURGIA ITALIANA | 2015年 / 04期
基金：
中国国家自然科学基金;
关键词：
Metals; Nanoparticles; Wulff construction; Melting; ENERGY; TEMPERATURE; MODEL;
D O I：
暂无
中图分类号：
TF [冶金工业];
学科分类号：
0806 ;
摘要：
An integrated model based on the variant of Ba/Bt, is established to predict size-dependent melting point of nanoparticles by considering the geometric and energetic characteristics of Wulff construction. Ba is the rest bond number and Bt denotes the total bond number without broken bonds in a Wulff construction. Without any adjustable parameters, this model predicts a decreasing trend of melting point with the size dropping for nanoparticles. The good agreement between theoretical predictions, and the evidences in experiments and molecular dynamic simulation confirms the validity of Wulff construction in describing thermodynamic behaviors of nanoparticles even with no need in considering their crystalline structures.
引用
收藏
页码：25 / 28
页数：4
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