Abstract:The interaction of hydrogen atoms with nanocrystalline palladium and nickel in the work was studied by the molecular dynamics method. The nanocrystalline structure of palladium and nickel was created in the model by crystallization from the liquid state at the presence of several specially introduced crystalline embryos. After solidification, the calculation blocks, in addition to the crystalline phase, contained grain boundaries and triple junctions of grain boundaries. The interactions of metal atoms with ea… Show more
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