4 years ago

Molecular dynamics simulation of tensile strain-altered hydrogen behaviour and its effects on local plasticity

Fu-Zhen Xuan, Zaoxiao Zhang, Yao-Ting Zheng, Zhengdong Wang, Min He, Guang-xu Cheng

Using molecular dynamics simulation, local plasticity of bcc Fe (0 0 1) is studied at different density of Fe–H cluster. H-induced softening and hardening of Fe substrate are observed along with the tensile elongation at low and high density, respectively. The two contradictory phenomena are ascribed to H behaviours-related plastic deformation. At high H partial pressure, initial H aggregation would lead to the formation of many H-enriched clusters similar to hydride. Tensile strain-induced dislocations (TSID) prefer to be generated and grow at the weakening interface of clusters and iron substrate. At low H partial pressure, TSIDs are uniformly distributed in the whole substrate. Owing to the affinity between H and dislocations, the diffusion of H appears to be distinct under different spatial distribution of TSIDs. H aggregation and dispersion can be enhanced and produce nonuniform and uniform plastic deformation during the continuous tensile process at high and low Fe–H cluster density, respectively. The former can stimulate local failures and accelerate the degradation of mechanical property. The results are helpful for better understanding of Fe–H cluster-related hardening and softening considering external strain-altered H behaviours except for the mechanism of H-dislocation interaction.

Publisher URL: http://www.tandfonline.com/doi/full/10.1080/08927022.2017.1357812

DOI: 10.1080/08927022.2017.1357812

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.