Abstract
AbstractThis work is devoted to a molecular dynamics study of the influence of hydrogen impurity on the migration mobility of tilt grain boundaries with misorientation axes [111] and [001] in palladium. The dependences of the migration velocity at a temperature of 1500 K on the hydrogen impurity concentration were found for the boundaries under consideration. It is shown that with an increase in the hydrogen concentration in palladium, the grain boundary migration velocity decreases. At a hydrogen concentration of 50%, it becomes approximately two times less than in pure palladium. According to the results obtained, the [111] tilt boundaries are more mobile than the [001] boundaries and, other things being equal, migrate approximately twice as fast.KeywordsComputer simulationMolecular dynamicsHydrogenPalladiumGrain boundary migration
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