On the influence of surface and bulk defects on the thermodynamic and structural characteristics of Al nanoparticles during melting

被引：4
|
作者：
Sdobnyakov N.Y. [1 ]
Kolosov A.Y. [1 ]
Sokolov D.N. [1 ]
Novozhilov N.V. [1 ]
Mikhailov A.S. [1 ]
Andriychuk A.P. [1 ]
Kartashov I.V. [1 ]
机构：
[1] Tver State University, Tver
来源：
Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques | 2015年 / 9卷 / 1期
关键词：
Al nanoparticles; defects (vacancies); heat capacity; melting temperature; specific total surface energy;
D O I：
10.1134/S102745101501036X
中图分类号：
学科分类号：
摘要：
The Monte Carlo method is used to study the influence of bulk and surface defects (vacancies) on the thermodynamic and structural characteristics of Al nanoclusters. The interactions between atoms are described by the Gupta many-particle potential. It is established that deviations from values of the melting temperature and the specific total surface energy for defect-free nanoparticles are observed in the case of the simulation of bulk and surface defects. © 2015, Pleiades Publishing, Ltd.
引用
收藏
页码：164 / 171
页数：7
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