Literature DB >> 23163391

Cluster glasses of ultrasoft particles.

Daniele Coslovich1, Marco Bernabei, Angel J Moreno.   

Abstract

We present molecular dynamics (MD) simulations results for dense fluids of ultrasoft, fully penetrable particles. These are a binary mixture and a polydisperse system of particles interacting via the generalized exponential model, which is known to yield cluster crystal phases for the corresponding monodisperse systems. Because of the dispersity in the particle size, the systems investigated in this work do not crystallize and form disordered cluster phases. The clustering transition appears as a smooth crossover to a regime in which particles are mostly located in clusters, isolated particles being infrequent. The analysis of the internal cluster structure reveals microsegregation of the big and small particles, with a strong homo-coordination in the binary mixture. Upon further lowering the temperature below the clustering transition, the motion of the clusters' centers-of-mass slows down dramatically, giving way to a cluster glass transition. In the cluster glass, the diffusivities remain finite and display an activated temperature dependence, indicating that relaxation in the cluster glass occurs via particle hopping in a nearly arrested matrix of clusters. Finally we discuss the influence of the microscopic dynamics on the transport properties by comparing the MD results with Monte Carlo simulations.

Entities:  

Year:  2012        PMID: 23163391     DOI: 10.1063/1.4765704

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


  3 in total

1.  Computational materials science: Soft heaps and clumpy crystals.

Authors:  Francesco Sciortino; Emanuela Zaccarelli
Journal:  Nature       Date:  2013-01-03       Impact factor: 49.962

2.  An Anisotropic Effective Model for the Simulation of Semiflexible Ring Polymers.

Authors:  Peter Poier; Christos N Likos; Angel J Moreno; Ronald Blaak
Journal:  Macromolecules       Date:  2015-07-10       Impact factor: 5.985

3.  Cluster Glasses of Semiflexible Ring Polymers.

Authors:  Mohammed Zakaria Slimani; Petra Bacova; Marco Bernabei; Arturo Narros; Christos N Likos; Angel J Moreno
Journal:  ACS Macro Lett       Date:  2014-06-12       Impact factor: 6.903

  3 in total

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