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Cluster glasses of ultrasoft particles

Coslovich D
•
Bernabei M
•
Moreno AJ
2012
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
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. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4765704]
DOI
10.1063/1.4765704
WOS
WOS:000311317800035
Archivio
http://hdl.handle.net/11368/2969193
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-84871725527
Diritti
metadata only access
Web of Science© citazioni
24
Data di acquisizione
Mar 8, 2024
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