Systematic approach to generate near-perfect periodic continuous random network models: Application to amorphous Si{sub 3}N{sub 4}

Journal Article · Sun Dec 01 00:00:00 EST 1996 · Physical Review, B: Condensed Matter

DOI:https://doi.org/10.1103/PhysRevB.54.R15594· OSTI ID:399842

Ouyang, L; Ching, W Y ^[1]

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1. Department of Physics, University of Missouri--Kansas City, Kansas City, Missouri 64110 (United States)

A systematic method to generate periodic continuous random network models for covalent glasses is described. The method is based on the judicious choice of elementary subunits which satisfy local bonding. By connecting the subunits carefully to meet the bonding requirements of the corner atoms, an initial model with proper topological structure is formed. Randomness is introduced through the random distribution of different subunit types. The model is then relaxed by suitable potential functions to minimize the distortions. The method has been successfully applied to obtain amorphous Si{sub 3}N{sub 4} models of various sizes. {copyright} {ital 1996 The American Physical Society.}

• Research Organization: Univ. of Missouri, Columbia, MO (United States)
• DOE Contract Number: FG02-84ER45170
• OSTI ID: 399842
• Journal Information: Physical Review, B: Condensed Matter, Vol. 54, Issue 22; Other Information: PBD: Dec 1996
• Country of Publication: United States
• Language: English

Related Subjects

66 PHYSICS
GLASS
MICROSTRUCTURE
SILICON NITRIDES
AMORPHOUS STATE
MATHEMATICAL MODELS
BONDING
LATTICE PARAMETERS
NETWORK STRUCTURE