Nucleation of Grain Boundary Phases

Winter, I.  S.; Rudd, R.  E.; Oppelstrup, T.; Frolov, T.

doi:10.1103/physrevlett.128.035701

Title: Nucleation of Grain Boundary Phases

Journal Article · 18 January 2022 · Physical Review Letters

DOI: https://doi.org/10.1103/physrevlett.128.035701 · OSTI ID:1860806

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Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Here, we derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defect separating two different GB structures, which is necessarily a dislocation as well as an elastic line force due to the jump in GB stresses. The theory provides analytic forms for the elastic interactions and the core energy of the GB phase junction that, along with the change in GB energy, determines the nucleation barrier. We apply the resulting nucleation model to simulations of GB phase transformations in tungsten. Our theory explains why under certain conditions GBs cannot spontaneously change their structure even to a lower energy state.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1860806

Report Number(s):: LLNL-JRNL-825741; 1039944

Journal Information:: Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 3 Vol. 128; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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