Registration Number
0212U000145,
0111U006523
, R & D reports
Title
Using grid technology for ab initio simulation of energy of point defects in beryllium
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Head
Baryakhtar,
Registration Date
18-01-2012
Organization
Institute of magnetism of NASU
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We upgraded the local cluster, which greatly expanded computing power and allowed us to connect to the Grid of NASU. We investigated all possible stable interstitial positions of the helium atom in the hcp lattice of beryllium by methods ab-initio simulations. We studied of helium-vacancies complexes in the hcp beryllium and calculate the energy of formation and migration of vacancies. We studied cases of finding of helium in the hcp lattice sites, in different interstitial positions and in the divacancy complexes. We found that absorbed helium in hcp beryllium promotes the formation of divacancies.
Product Description
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Бакай О.С.
Бар'яхтар В.Г.
Калькута С.А.
Тимошевський А.М.
Яблоновський С.О.
Янчицький Б.З.
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2020-04-02
