Hydrogen bubble nucleation in α-iron

被引：49

作者：

Geng, W. T. ^{[1
,2
]}

Wan, Liang ^{[1
]}

Du, Jun-Ping ^{[1
,3
]}

Ishii, Akio ^{[1
]}

Ishikawa, Nobuyuki ^{[4
]}

Kimizuka, Hajime ^{[1
]}

Ogata, Shigenobu ^{[1
,3
]}

机构：

[1] Osaka Univ, Dept Mech Sci & Bioengn, Osaka 5608531, Japan

[2] Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China

[3] Kyoto Univ, Ctr Elements Strategy Initiat Struct Mat, Kyoto 6068501, Japan

[4] JFE Steel Corp, Steel Res Lab, Kawasaki, Kanagawa 2100855, Japan

来源：

SCRIPTA MATERIALIA | 2017年 / 134卷

关键词：

Steel; Ab initio calculations; Hydrogen induced cracking; Blistering; METALS; BLISTER; EMBRITTLEMENT; DEFECTS; GROWTH; CRACK;

D O I：

10.1016/j.scriptamat.2017.03.006

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

We report a first-principles study on how H-2 molecules emerge in a nanovoid in alpha-iron. In a 9-vacancy void, after the walls are decorated with 24 H atoms, only H-dimers are allowed to be adsorbed on the walls; whereas in a spherical 27-vacancy void, H-2 molecules start to appear in the center of the void after the walls are saturated by 54 H atoms. The bubble pressure can reach 3.5 GPa, comparable to the measured H-2 pressure in blisters at the micrometer scale. The H-saturated nanovoid attracts vacancy more strongly than does the pristine nanovoid through strong H-vacancy interaction. (c) 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：105 / 109

页数：5

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