The structure of random packings of freely jointed chains of tangent hard spheres

We analyze the structure of dense random packings of freely jointed chains of tangent hard spheres as a function of concentration (packing density) with particular emphasis placed on the behavior in the vicinity of their maximally random jammed (MRJ) state. Representative configurations over the who...

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Bibliographic Details
Published inThe Journal of chemical physics Vol. 130; no. 16; p. 164908
Main Authors Karayiannis, Nikos Ch, Foteinopoulou, Katerina, Laso, Manuel
Format Journal Article
LanguageEnglish
Published United States 28.04.2009
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Summary:We analyze the structure of dense random packings of freely jointed chains of tangent hard spheres as a function of concentration (packing density) with particular emphasis placed on the behavior in the vicinity of their maximally random jammed (MRJ) state. Representative configurations over the whole density range are generated through extensive off-lattice Monte Carlo simulations on systems of average chain lengths ranging from N=12 to 1000 hard spheres. Several measures of order are used to quantitatively describe either local structure (sphere arrangements and bonded geometry) or global behavior (chain conformations and statistics). In addition, the employed measures are used to elucidate the effect of connectivity on structure, by comparing monatomic and chain assemblies of hard spheres at the MRJ state.
ISSN:1089-7690
DOI:10.1063/1.3117903