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A random close packing based algorithm for the generation of continuous random networks

MPS-Authors
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Hannemann,  A.
Abteilung Jansen, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Schön,  J. C.
Abteilung Jansen, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanoscale Science (Klaus Kern), Max Planck Institute for Solid State Research, Max Planck Society;

/persons/resource/persons280091

Jansen,  M.
Abteilung Jansen, Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Citation

Hannemann, A., Schön, J. C., & Jansen, M. (2002). A random close packing based algorithm for the generation of continuous random networks. Computer Physics Communications, 144(3), 284-296.


Cite as: https://hdl.handle.net/21.11116/0000-000E-E47B-7
Abstract
We present a generally applicable method for the modeling of
covalent amorphous networks. The algorithm proceeds by
generating random close packings of anions. followed by an
optimal placement of the cations. As examples, we apply the
algorithm to a-SiO2. a-Si3N4, a-SiO3/2N1/3, and a-B2O3. (C)
2002 Elsevier Science B.V. All rights reserved.