Mobility of hydrogen-helium clusters in tungsten studied by molecular dynamics

Research output: Contribution to journalArticlepeer-review


Institutes & Expert groups

  • PbPU - Peter the Great St.Petersburg Polytechnic University
  • UGent - Universiteit Gent

Documents & links


Tungsten is a primary candidate material for plasma facing components in fusion reactors. Interaction of plasma components with the material is unavoidable and will lead to degradation of the performance and the lifetime of the in-vessel omponents. In order to gain better understanding the mechanisms driving the material degradation at atomic level, atomistic simulations are employed. In this work we study migration, stability and self-trapping properties of pure helium and mixed helium-hydrogen clusters in tungsten by means of molecular dynamics simulations. We test two versions of an embedded atom model interatomic potential by comparing it with ab initio data regarding the binding properties of He clusters. By nalysing the trajectories of the clusters during molecular dynamics simulations at finite temperatures we obtain the diffusion parameters. The results show that the diffusivity of mixed clusters is significantly lower, than that of pure helium clusters. The latter suggest that the formation of mixed clusters during mixed hydrogen helium plasma exposure will affect the helium diffusivity in the material.


Original languageEnglish
Pages (from-to)143-149
JournalJournal of Nuclear Materials
Publication statusPublished - 1 Jun 2016


  • mobility, hydrogen, helium, tungsten, Molecular Dynamics

ID: 2179085