Molecular dynamics study of effect of hydrogen atoms on mechanical properties of α-Fe nanowires

被引：7
|
作者：
Xu, T. H. [1 ]
Zhu, Z. Q. [1 ]
Geng, S. F. [1 ]
Song, H. Y. [1 ]
机构：
[1] Xian Shiyou Univ, Coll Mat Sci & Engn, Xian 710065, Shaanxi, Peoples R China
来源：
PHYSICS LETTERS A | 2017年 / 381卷 / 37期
基金：
中国国家自然科学基金;
关键词：
Nanowires; Hydrogen atoms; Cross section size; Molecular dynamics simulation; ENHANCED LOCALIZED PLASTICITY; CRYSTAL TUNGSTEN NANOWIRE; DISLOCATION NUCLEATION; DEFORMATION MECHANISM; GOLD NANOWIRES; SIMULATION; BEHAVIOR; EMBRITTLEMENT; FRACTURE; IRON;
D O I：
10.1016/j.physleta.2017.08.012
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The effect of hydrogen atoms and temperature on the mechanical properties of < 100 > alpha-Fe nanowires with different cross section sizes is investigated by molecular dynamics simulation method. The results show that the difference of peak stress of samples with and without hydrogen increases with the increase of cross section size at 300 K, while there is no distinct regularity at 10 K. The deformation behavior in < 100 > alpha-Fe nanowires is governed by the nucleation and growth of twins. The studies also indicate that hydrogen atoms decrease peak stress and don't affect the deformation mechanism of nanowires. (C) 2017 Elsevier B.V. All rights reserved.
引用
收藏
页码：3222 / 3227
页数：6
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