期刊
PHILOSOPHICAL MAGAZINE LETTERS
卷 100, 期 11, 页码 513-523出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/09500839.2020.1808253
关键词
Hydrogen diffusion; thermodynamic modelling; DFT calculations; nickel; hydrogen embrittlement
类别
资金
- COMET programme within the K2 Center 'Integrated Computational Material, Process and Product Engineering (IC-MPPE)' [859480]
- Austrian Federal Ministries for Climate Action, Environment, Energy, Mobility, Innovation and Technology (BMK)
- Austrian Federal Ministries for Digital and Economic Affairs (BMDW)
- Austrian federal state of Styria
- Austrian federal state of Upper Austria
- Austrian federal state of Tyrol
Hydrogen embrittlement leads to time-dependent failure of structural components. Hydrogen absorption and diffusion contribute to the time dependency and are often treated by thermodynamic diffusion models, which consider the ideal-solution approach and spherical distortion of the lattice. The interaction of spherical lattice distortions with hydrostatic stress fields causes stress-driven hydrogen diffusion. In the present work, ab-initio calculations are used to verify and parametrise the stress dependency of the generalised chemical potential for hydrogen in nickel. Therefore, the partial molar volume for hydrogen in nickel is introduced. The assumption of linear elasticity and a linear dependency on the hydrostatic stress is sufficient to describe hydrogen diffusion on the macroscopic and mesoscopic scale. The work is concluded with hydrogen diffusion simulations, which reveal a minor influence of stress-driven hydrogen diffusion on the overall hydrogen distribution in nickel.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据