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

Lena Langenohl, Tobias Brink (), Rodrigo Freitas, Timofey Frolov (), Gerhard Dehm () and Christian H. Liebscher ()
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Lena Langenohl: Max-Planck-Institut für Eisenforschung GmbH
Tobias Brink: Max-Planck-Institut für Eisenforschung GmbH
Rodrigo Freitas: Massachusetts Institute of Technology
Timofey Frolov: Lawrence Livermore National Laboratory
Gerhard Dehm: Max-Planck-Institut für Eisenforschung GmbH
Christian H. Liebscher: Max-Planck-Institut für Eisenforschung GmbH

Nature Communications, 2022, vol. 13, issue 1, 1-11

Abstract: 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.

Date: 2022
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DOI: 10.1038/s41467-022-30922-3

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