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

Frommeyer, 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.

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Frommeyer_Cu Sigma 37 _Nat Comm 2022.pdf (Supplementary material), 4MB
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Frommeyer_Cu Sigma 37 _Nat Comm 2022.pdf
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Open Access. These authors contributed equally: Lena Frommeyer, Tobias Brink.
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Frommeyer, Lena1, Author              
Brink, Tobias2, Author              
Freitas, Rodrigo3, Author
Frolov, Timofey4, Author              
Dehm, Gerhard5, Author              
Liebscher, Christian1, Author              
Affiliations:
1Advanced Transmission Electron Microscopy, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863399              
2Atomistic Modelling of Material Interfaces, Project Groups, Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_3291845              
3Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, USA, ou_persistent22              
4Lawrence Livermore National Laboratory, 7000 East Ave, Livermore, CA 94550, USA, ou_persistent22              
5Structure and Nano-/ Micromechanics of Materials, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863398              

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 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.

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Language(s): eng - English
 Dates: 2022-06-092022
 Publication Status: Published in print
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 Rev. Type: Peer
 Identifiers: DOI: 10.1038/s41467-022-30922-3
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Title: Nature Communications
  Abbreviation : Nat. Commun.
Source Genre: Journal
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Publ. Info: London : Nature Publishing Group
Pages: - Volume / Issue: 13 (1) Sequence Number: 3331 Start / End Page: - Identifier: ISSN: 2041-1723
CoNE: https://pure.mpg.de/cone/journals/resource/2041-1723