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
