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первопринципное моделирование (6)
WIEN2k (5)
УДК 538.915 (5)
bcc iron (4)
first principle simulation (4)
ГРНТИ 29.19 (4)
ГЦК-железо (4)
примеси углерода (4)
carbon impurity (3)
FCC-iron (3)
hydrogen (3)
водород (3)
метод LAPW (3)
молекулярная динамика (3)
УДК 669.112.227.1:538.915 (3)
ab initio calculations (2)
computer simulation (2)
disordered systems (2)
effective pair potential (2)
first-principles modeling (2)

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