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Molecular‐Scale Modeling and Multiscale Experiments on the Elastic Properties of HR‐2 Steel Affected by Hydrogen
Author(s) -
Zhang Yuanzhang,
Yin Yihui,
Zhao Fengpeng,
Deng Kunxiu,
Feng Jie,
Li Jian,
Yan Guanyun
Publication year - 2019
Publication title -
steel research international
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.603
H-Index - 49
eISSN - 1869-344X
pISSN - 1611-3683
DOI - 10.1002/srin.201800654
Subject(s) - materials science , hydrogen embrittlement , embrittlement , hydrogen , austenite , elastic modulus , neutron scattering , ultimate tensile strength , tensile testing , neutron , metallurgy , composite material , corrosion , microstructure , nuclear physics , chemistry , physics , organic chemistry
Austenitic stainless steel is used in hydrogen containers. The hydrogen embrittlement has drawn much attention. In this paper, in situ measurement by neutron stress spectrometer and neutron scattering is carried out during quasi‐static tensile tests. Based on the information at the micro‐ and macro‐scale obtained through these measurements, a molecular‐scale simulation system with different numbers of grain boundaries is established. With the Tersoff potential parameters fitted by Kuopanportti, the change rates of the elastic modulus and yield limit of the steel with different concentrations of hydrogen can be calculated.