Amorphous structure of grain boundaries and grain junctions in nanocrystalline silicon by molecular-dynamics simulation. Keblinski, P., Phillpot, S. R., Wolf, D., & Gleiter, H. Acta Materialia, 45(3):987--998, March, 1997. WOS:A1997WK70200008
doi  abstract   bibtex   
Molecular-dynamics simulations using the Stillinger-Weber three-body potential are used to synthesize fully dense nanocrystalline silicon with a grain size up to 7.3 nm by crystallization from the melt. The structures of the highly-constrained grain boundaries, triple lines and point grain junctions are found to be highly disordered and similar to the structure of amorphous silicon. These results suggest that nanocrystalline silicon may be treated as a two-phase system, namely, an ordered crystalline phase in the grain interiors connected by an amorphous, intergranular glue-like phase. Copyright (C) 1997 Acta Metallurgica Inc.
@article{ keblinski_amorphous_1997,
  title = {Amorphous structure of grain boundaries and grain junctions in nanocrystalline silicon by molecular-dynamics simulation},
  volume = {45},
  issn = {1359-6454},
  doi = {10.1016/S1359-6454(96)00236-4},
  abstract = {Molecular-dynamics simulations using the Stillinger-Weber three-body potential are used to synthesize fully dense nanocrystalline silicon with a grain size up to 7.3 nm by crystallization from the melt. The structures of the highly-constrained grain boundaries, triple lines and point grain junctions are found to be highly disordered and similar to the structure of amorphous silicon. These results suggest that nanocrystalline silicon may be treated as a two-phase system, namely, an ordered crystalline phase in the grain interiors connected by an amorphous, intergranular glue-like phase. Copyright (C) 1997 Acta Metallurgica Inc.},
  number = {3},
  journal = {Acta Materialia},
  author = {Keblinski, P. and Phillpot, S. R. and Wolf, D. and Gleiter, H.},
  month = {March},
  year = {1997},
  note = {{WOS}:A1997WK70200008},
  pages = {987--998}
}

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