Thermodynamic criterion for the stability of amorphous intergranular films in covalent materials. Keblinski, P., Phillpot, S. R., Wolf, D., & Gleiter, H. Physical Review Letters, 77(14):2965--2968, September, 1996. WOS:A1996VJ72300031doi abstract bibtex The thermodynamic origin of disordered intergranular films commonly found in covalent ceramic materials is studied by molecular-dynamics simulation. Our studies show that all high-energy grain boundaries in a model covalent material, silicon, exhibit a universal amorphous structure, whereas low-energy boundaries are crystalline. This allows the identification of a thermodynamic criterion for the existence of stable disordered intergranular films based on the relative energies of the atoms in the grain boundaries and in the bulk amorphous phase.
@article{ keblinski_thermodynamic_1996,
title = {Thermodynamic criterion for the stability of amorphous intergranular films in covalent materials},
volume = {77},
issn = {0031-9007},
doi = {10.1103/PhysRevLett.77.2965},
abstract = {The thermodynamic origin of disordered intergranular films commonly found in covalent ceramic materials is studied by molecular-dynamics simulation. Our studies show that all high-energy grain boundaries in a model covalent material, silicon, exhibit a universal amorphous structure, whereas low-energy boundaries are crystalline. This allows the identification of a thermodynamic criterion for the existence of stable disordered intergranular films based on the relative energies of the atoms in the grain boundaries and in the bulk amorphous phase.},
number = {14},
journal = {Physical Review Letters},
author = {Keblinski, P. and Phillpot, S. R. and Wolf, D. and Gleiter, H.},
month = {September},
year = {1996},
note = {{WOS}:A1996VJ72300031},
pages = {2965--2968}
}
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