Dislocation-pairing transitions in hot grain boundaries |
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Authors: | Olmsted David L Buta Dorel Adland Ari Foiles Stephen M Asta Mark Karma Alain |
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Institution: | Department of Materials Science and Engineering, University of California, Berkeley, California, USA. |
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Abstract: | We report the finding of a novel grain-boundary structural phase transition in both molecular-dynamics and phase-field-crystal simulations of classical models of bcc Fe. This transition is characterized by pairing of individual dislocations with mixed screw and edge components. We demonstrate that this type of transition is driven by a combination of factors including elastic softening, core interaction, and core disordering. At high homologous temperatures the occurrence of this transition is shown to prevent premelting at misorientation angles where it would otherwise be expected. |
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