Structural Properties of β-Fe2O3 Nanorods Under Strain: Molecular Dynamics Simulations

被引：4
|
作者：
Alaei, Sholeh [1 ]
Erkoc, Sakir [1 ]
机构：
[1] Middle E Tech Univ, Dept Phys, TR-06800 Ankara, Turkey
来源：
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE | 2014年 / 11卷 / 01期
关键词：
beta-Fe2O3; Nanorod; Atonnistic Potential; Molecular Dynamics; NANOSTRUCTURES; NANOBELTS; SIZE;
D O I：
10.1166/jctn.2014.3344
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Structural properties of beta-Fe2O3 nanorods under uniaxial strain have been investigated by performing molecular dynamics simulations at different temperatures. Two different atomistic potential energy functions (PEFs) were used to make a comparative study. It followed from our results that the PEF used to model a given material was rather significant; different PEFs would give rise to different characteristics for the same material.
引用
收藏
页码：242 / 248
页数：7
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