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Information × Registration Number 0213U001683, 0112U004436 , R & D reports Title Using Grid technology for ab-initio simulation of energy of point defects in beryllium: hydrogen, helium and atomic vacancies popup.stage_title Head Baryaktar V., Registration Date 23-01-2013 Organization Institute of magnetism of NASU popup.description2 Studied all possible positions of the interstitial atom of hydrogen and found its equilibrium position in the crystal lattice. Calculated energy of a single hydrogen atom, the energy of formation and migration of vacancies. Studied hydrogen- and helium-vacancy complexes in beryllium in the hcp lattice of beryllium by methods ab-initio simulations. Calculated phonon spectra of crystals with helium, which can be verified experimentally. Product Description popup.authors Бакай О.С. Бар'яхтар В.Г. КалькутаС.А. Тимошевський А.М. Яблоновський С.О. Янчицький Б.З. popup.nrat_date 2020-04-02 Close
R & D report
Using Grid technology for ab-initio simulation of energy of point defects in beryllium: hydrogen, helium and atomic vacancies
Head: Baryaktar V.. Using Grid technology for ab-initio simulation of energy of point defects in beryllium: hydrogen, helium and atomic vacancies. (popup.stage: ). Institute of magnetism of NASU. № 0213U001683
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Updated: 2026-03-25


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