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Classical molecular dynamics simulations of hypervelocity nanoparticle impacts on amorphous silica

โœ Scribed by Samela, Juha; Nordlund, Kai

Book ID
120243975
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
373 KB
Volume
81
Category
Article
ISSN
1098-0121

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Optimization of large amorphous silicon
Optimization of large amorphous silicon and silica structures for molecular dynamics simulations of energetic impacts
โœ Juha Samela; Scott A. Norris; Kai Nordlund; Michael J. Aziz ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 864 KB

A practical method to create optimized amorphous silicon and silica structures for molecular dynamics simulations is developed and tested. The method is based on the Wooten, Winer, and Weaire algorithm and combination of small optimized blocks to larger structures. The method makes possible to perfo