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

Author

Listed:
  • 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)

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.

Suggested Citation

  • Lena Langenohl & Tobias Brink & Rodrigo Freitas & Timofey Frolov & Gerhard Dehm & Christian H. Liebscher, 2022. "Dual phase patterning during a congruent grain boundary phase transition in elemental copper," Nature Communications, Nature, vol. 13(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-30922-3
    DOI: 10.1038/s41467-022-30922-3
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    References listed on IDEAS

    as
    1. Timofey Frolov & David L. Olmsted & Mark Asta & Yuri Mishin, 2013. "Structural phase transformations in metallic grain boundaries," Nature Communications, Nature, vol. 4(1), pages 1-7, October.
    2. Thuc Hue Ly & David J. Perello & Jiong Zhao & Qingming Deng & Hyun Kim & Gang Hee Han & Sang Hoon Chae & Hye Yun Jeong & Young Hee Lee, 2016. "Misorientation-angle-dependent electrical transport across molybdenum disulfide grain boundaries," Nature Communications, Nature, vol. 7(1), pages 1-7, April.
    3. Thorsten Meiners & Timofey Frolov & Robert E. Rudd & Gerhard Dehm & Christian H. Liebscher, 2020. "Observations of grain-boundary phase transformations in an elemental metal," Nature, Nature, vol. 579(7799), pages 375-378, March.
    4. Qiang Zhu & Amit Samanta & Bingxi Li & Robert E. Rudd & Timofey Frolov, 2018. "Predicting phase behavior of grain boundaries with evolutionary search and machine learning," Nature Communications, Nature, vol. 9(1), pages 1-9, December.
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