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The study of the interaction of hydrogen impurity with (100) and (111) twist
boundaries in Ni and Pd was held by the method of molecular dynamics. It is shown that twist
boundaries may act as hydrogen traps, but less effective in comparison with vacancies and
edge dislocations. The energy of the hydrogen connection with the twist boundary, according
to the obtained data, does not exceed 0.1 eV for both metals.
Keywords: molecular dynamics; metal; hydrogen; grain boundary; twist boundary; screw dislocation; bond energy; energy of absorption. |
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