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Dual phase patterning during a congruent grain boundary phase transition in elemental copper

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Langenohl,  Lena
Advanced Transmission Electron Microscopy, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Brink,  Tobias
Atomistic Modelling of Material Interfaces, Project Groups, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Dehm,  Gerhard
Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Liebscher,  Christian
Advanced Transmission Electron Microscopy, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Citation

Langenohl, L., Brink, T., Freitas, R., Frolov, T., Dehm, G., & Liebscher, C. (2022). Dual phase patterning during a congruent grain boundary phase transition in elemental copper. Nature Communications, 13(1): 3331. doi:10.1038/s41467-022-30922-3.


Cite as: https://hdl.handle.net/21.11116/0000-000A-95B0-6
Abstract
The phase behavior of grain boundaries can have a strong influence on interfacial properties. Little is known about the emergence of grain boundary phases in elemental metal systems and how they transform. Here, we observe the nanoscale patterning of a grain boundary by two alternating grain boundary phases with distinct atomic structures in elemental copper by atomic resolution imaging. The same grain boundary phases are found by computational grain boundary structure search indicating a first-order transformation. Finite temperature atomistic simulations reveal a congruent, diffusionless transition between these phases under ambient pressure. The patterning of the grain boundary at room temperature is dominated by the grain boundary phase junctions separating the phase segments. Our analysis suggests that the reduced mobility of the phase junctions at low temperatures kinetically limits the transformation, but repulsive elastic interactions between them and disconnections could additionally stabilize the pattern formation.