Abstract: In this paper, we describe the main processes occurring during the generation of vacancies in aluminum in the presence of hydrogen by ab initio methods using the SCAN functional. Hydrogen is shown to reduce the generation energy of vacancies from 2.8 to 0.8 eV. In this case, the eight hydrogen atoms located in the tetrahedral lattice voids around single aluminum atom greatly facilitate its movement to the interstitial site. The dependence of the activation energy of hydrogen embrittlement of aluminum on the hydrogen concentration in aluminum and temperature is calculated based on the kinetic strength concept. Hydrogen is shown to reduce the time of aluminum destruction only if its mole fraction in aluminum is greater than the critical level (~ 3 × 10–4 at T = 293 K).

Original languageEnglish
Pages (from-to)882-885
Number of pages4
JournalTechnical Physics Letters
Volume45
Issue number9
DOIs
StatePublished - 1 Sep 2019

    Scopus subject areas

  • Physics and Astronomy (miscellaneous)

    Research areas

  • activation energy of destruction, density functional method, hydrogen embrittlement, vacancies

ID: 75068633