2018/09/20 by R.D. Smirnov, S.I. Krasheninnikov, S. I. Krasheninnikov · 40 citations
Chemistry · Materials Science · #Atomic physics #Chemical physics #Chemistry #Composite material #Computational chemistry #Dislocation #Fusion materials and technologies #Hydrogen #Hydrogen embrittlement and corrosion behaviors in metals #Materials science #Metallurgy #Molecular dynamics #Nuclear Materials and Properties #Outgassing #Physics #Plasma #Stress (linguistics) #Trapping #Tungsten
paper · open access · doi:10.1088/1741-4326/aae2c7
published in Nuclear Fusion 58(12), 126016 (IOP Publishing)
openalex publication_date 2018/09/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
The molecular dynamics simulations of trapping of hydrogen atoms in tungsten are presented. The simulations reveal formation of platelet-like structures of self-trapped hydrogen induced by stresses in tungsten, in particular, those produced by dislocations, at the interstitial hydrogen concentrations at.%. The spontaneous hydrogen platelet formation in absence of dislocations and external stresses has been also observed at the higher hydrogen concentrations at.%. It is shown that the platelets can retain substantial quantities of hydrogen, exceeding trapping capacity of other non-cavity defects in tungsten. The properties of the hydrogen platelets formed in tungsten under various conditions are assessed and a formation mechanism is proposed. A model of hydrogen retention by the dislocation-induced structures is also presented, which describes retained quantities and outgassing dynamics of hydrogen in plasma exposed tungsten samples.