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Atomistic modeling of amorphous silicon carbide using a bond-order potential

โœ Scribed by R. Devanathan; F. Gao; W.J. Weber


Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
778 KB
Volume
255
Category
Article
ISSN
0168-583X

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๐Ÿ“œ SIMILAR VOLUMES


A systematic procedure to build a relaxe
โœ Xianfeng Li; Robert A. Latour ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 948 KB

A systematic procedure has been developed to construct a relaxed dense-phase atomistic structure of a complex amorphous polymer. The numerical procedure consists of (1) coarse graining the atomistic model of the polymer into a mesoscopic model based on an iterative algorithm for potential inversion