Continuous thermodynamic-equilibrium glass transition in high-energy grain boundaries?. Keblinski, P., Wolf, D., Phillpot, S. R., & Gleiter, H. Philosophical Magazine Letters, 76(3):143--151, September, 1997. WOS:A1997XU82100004
doi  abstract   bibtex   
Recent simulations of silicon grain boundaries equilibrated at high temperatures and subsequently cooled to zero temperature have revealed a 'confined amorphous' equilibrium structure of uniform thickness for the high-energy boundaries while low-energy boundaries are crystalline. Here we demonstrate that, above the glass transition temperature T-g, these high-energy boundaries undergo a reversible structural and dynamical transition from a confined amorphous solid to a confined liquid. By contrast with the bulk glass transition, however, this equilibrium transition is continuous and thermally activated, starting at T-g and being complete at the melting point T-m, at which the entire film is liquid. The coexistence of the confined amorphous and liquid phases in this two-phase region of less than 1 nm thickness is shown to have a profound impact on grain-boundary self-diffusion.
@article{ keblinski_continuous_1997,
  title = {Continuous thermodynamic-equilibrium glass transition in high-energy grain boundaries?},
  volume = {76},
  issn = {0950-0839},
  doi = {10.1080/095008397179093},
  abstract = {Recent simulations of silicon grain boundaries equilibrated at high temperatures and subsequently cooled to zero temperature have revealed a 'confined amorphous' equilibrium structure of uniform thickness for the high-energy boundaries while low-energy boundaries are crystalline. Here we demonstrate that, above the glass transition temperature T-g, these high-energy boundaries undergo a reversible structural and dynamical transition from a confined amorphous solid to a confined liquid. By contrast with the bulk glass transition, however, this equilibrium transition is continuous and thermally activated, starting at T-g and being complete at the melting point T-m, at which the entire film is liquid. The coexistence of the confined amorphous and liquid phases in this two-phase region of less than 1 nm thickness is shown to have a profound impact on grain-boundary self-diffusion.},
  number = {3},
  journal = {Philosophical Magazine Letters},
  author = {Keblinski, P. and Wolf, D. and Phillpot, S. R. and Gleiter, H.},
  month = {September},
  year = {1997},
  note = {{WOS}:A1997XU82100004},
  pages = {143--151}
}

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