Literature DB >> 19405631

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

Nikos Ch Karayiannis1, Katerina Foteinopoulou, Manuel Laso.   

Abstract

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.

Year:  2009        PMID: 19405631     DOI: 10.1063/1.3117903

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  7 in total

1.  Universality of jamming of nonspherical particles.

Authors:  Carolina Brito; Harukuni Ikeda; Pierfrancesco Urbani; Matthieu Wyart; Francesco Zamponi
Journal:  Proc Natl Acad Sci U S A       Date:  2018-10-31       Impact factor: 11.205

2.  Packing density of rigid aggregates is independent of scale.

Authors:  Christopher D Zangmeister; James G Radney; Lance T Dockery; Jessica T Young; Xiaofei Ma; Rian You; Michael R Zachariah
Journal:  Proc Natl Acad Sci U S A       Date:  2014-06-09       Impact factor: 11.205

3.  Simu-D: A Simulator-Descriptor Suite for Polymer-Based Systems under Extreme Conditions.

Authors:  Miguel Herranz; Daniel Martínez-Fernández; Pablo Miguel Ramos; Katerina Foteinopoulou; Nikos Ch Karayiannis; Manuel Laso
Journal:  Int J Mol Sci       Date:  2021-11-18       Impact factor: 5.923

Review 4.  Combined molecular algorithms for the generation, equilibration and topological analysis of entangled polymers: methodology and performance.

Authors:  Nikos Ch Karayiannis; Martin Kröger
Journal:  Int J Mol Sci       Date:  2009-11-23       Impact factor: 6.208

5.  Spontaneous crystallization in athermal polymer packings.

Authors:  Nikos Ch Karayiannis; Katerina Foteinopoulou; Manuel Laso
Journal:  Int J Mol Sci       Date:  2012-12-24       Impact factor: 5.923

6.  Crystal, Fivefold and Glass Formation in Clusters of Polymers Interacting with the Square Well Potential.

Authors:  Miguel Herranz; Manuel Santiago; Katerina Foteinopoulou; Nikos Ch Karayiannis; Manuel Laso
Journal:  Polymers (Basel)       Date:  2020-05-13       Impact factor: 4.329

7.  Self-Avoiding Random Walks as a Model to Study Athermal Linear Polymers under Extreme Plate Confinement.

Authors:  Oscar Parreño; Pablo Miguel Ramos; Nikos Ch Karayiannis; Manuel Laso
Journal:  Polymers (Basel)       Date:  2020-04-03       Impact factor: 4.329

  7 in total

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