Modelling the effect of hydrogen on crack growth in zirconium

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

卷:455

Article

Lloyd, Adam L.¹  Smith, Roger¹  Wootton, Mark J.²  Andrews, John²  Arul, John³  Muruva, Hari Prasad⁴  Vinod, Gopika⁴ 

[1] Loughborough Univ, Sch Sci, Loughborough LE11 3TU, Leics, England

[2] Univ Nottingham, Fac Engn, Nottingham NG7 2RD, England

[3] Indira Gandhi Ctr Atom Res, Reactor Engn Grp, Kalpakkam, Tamil Nadu, India

[4] Bhabha Atom Res Ctr, Reactor Safety Div, Mumbai, Maharashtra, India

关键词: Hydrogen diffusion;    Crack propagation;    Molecular Dynamics;    Zirconium;   

DOI  :  10.1016/j.nimb.2019.06.017

来源: Elsevier

【 摘 要 】

Via molecular dynamics simulations, the effects of hydrogen on stress evolution of alpha-zirconium and crack propagation in monocrystalline and multiple grained zirconium systems are investigated. Diffusion barriers are shown to reduce when strain is applied, which then causes hydrogen to accumulate at surfaces and grain boundaries. Crack growth is considered for a range of alpha-zirconium systems, both with and without hydrogen, strained in multiple directions. The effects of crystal orientation are shown to be of high influence on the stress evolution of alpha-zirconium irrespective of hydrogen content. Crack growth velocity is increased the most by hydrogen for alpha-zirconium when uniaxial strain is applied in the [0 0 0 1] direction. Simulations are conducted investigating the effects of single grain boundaries in normal and parallel orientations to crack growth showing a high importance on the location of interstitial hydrogen in crack growth behaviour. In addition, larger scale simulations show the effects of multiple grain boundaries and hydrogen content in the evolution of cracks.

【 授权许可】

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